There are 3 CoeSFMs: |
Nbr of Motifs per PDB entry | PDB Entry | Title | Determination Method | Resolution | R-Factor |
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2 | 1N2Z | structure of BtuF, the vitamin B12 binding protein of E. coli | X-RAY | 2.00 | 0.189
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| Motif No./Chain | Motif | Bound Ligand /(Nbr. in PDB) | Show Details |
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| 1 / A |
> Structure: HLLLLLLLLH
+26w
> Sequence: SPAYWWGGFFWSDER
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CNC /(400) |
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> Graphics rep1:
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> Graphics rep2:
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Protein Chain | Prot SSE | Res Nbr | Res Name | RsAt.Name | LgAt.Name |
Lg Chain | Lg Nbr | Bnd Len | Bnd Type |
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A | 30-40 H: 1 | 30 | SER | CB | O44 | A | 400 | 3.78 | van der Waals | A | 30-40 H: 1 | 30 | SER | OG | O44 | A | 400 | 3.79 | H.Bond | A | 30-40 H: 1 | 31 | PRO | N | O44 | A | 400 | 3.3 | H.Bond | A | 30-40 H: 1 | 31 | PRO | CA | O44 | A | 400 | 3.71 | van der Waals | A | 30-40 H: 1 | 31 | PRO | C | O44 | A | 400 | 3.75 | van der Waals | A | 30-40 H: 1 | 31 | PRO | CB | O44 | A | 400 | 3.43 | van der Waals | A | 30-40 H: 1 | 31 | PRO | CG | C36 | A | 400 | 3.78 | van der Waals | A | 30-40 H: 1 | 31 | PRO | CG | O44 | A | 400 | 3.66 | van der Waals | A | 30-40 H: 1 | 31 | PRO | CD | O44 | A | 400 | 3.05 | van der Waals | A | 30-40 H: 1 | 32 | ALA | N | C43 | A | 400 | 3.84 | H.Bond | A | 30-40 H: 1 | 32 | ALA | N | O44 | A | 400 | 2.89 | H.Bond | A | 30-40 H: 1 | 32 | ALA | CA | O44 | A | 400 | 3.75 | van der Waals | A | 30-40 H: 1 | 32 | ALA | CB | C43 | A | 400 | 3.64 | van der Waals | A | 30-40 H: 1 | 32 | ALA | CB | O44 | A | 400 | 3.45 | van der Waals | A | 30-40 H: 1 | 32 | ALA | CB | N45 | A | 400 | 3.56 | H.Bond | A | No SSE | 50 | TYR | CB | C36 | A | 400 | 3.94 | van der Waals | A | No SSE | 50 | TYR | CD1 | O34 | A | 400 | 3.31 | van der Waals | A | No SSE | 50 | TYR | CD2 | C35 | A | 400 | 3.68 | van der Waals | A | No SSE | 50 | TYR | CE1 | C31 | A | 400 | 3.97 | van der Waals | A | No SSE | 50 | TYR | CE1 | C32 | A | 400 | 3.46 | van der Waals | A | No SSE | 50 | TYR | CE1 | O34 | A | 400 | 2.72 | van der Waals | A | No SSE | 50 | TYR | CE2 | C35 | A | 400 | 3.64 | van der Waals | A | No SSE | 50 | TYR | CZ | C32 | A | 400 | 3.93 | van der Waals | A | No SSE | 50 | TYR | CZ | O34 | A | 400 | 3.56 | van der Waals | A | No SSE | 50 | TYR | OH | C32 | A | 400 | 3.91 | van der Waals | A | No SSE | 50 | TYR | OH | O34 | A | 400 | 3.84 | H.Bond | A | No SSE | 66 | TRP | CA | C6M | A | 400 | 3.7 | van der Waals | A | No SSE | 66 | TRP | CB | C32 | A | 400 | 3.79 | van der Waals | A | No SSE | 66 | TRP | CB | O34 | A | 400 | 3.85 | van der Waals | A | No SSE | 66 | TRP | CD1 | O7R | A | 400 | 3.42 | van der Waals | A | No SSE | 66 | TRP | CD1 | C7B | A | 400 | 3.93 | van der Waals | A | No SSE | 66 | TRP | NE1 | C20 | A | 400 | 3.68 | H.Bond | A | No SSE | 66 | TRP | NE1 | O7R | A | 400 | 3.1 | H.Bond | A | No SSE | 66 | TRP | CE2 | C20 | A | 400 | 3.79 | van der Waals | A | No SSE | 66 | TRP | CE3 | N33 | A | 400 | 3.41 | H.Bond | A | No SSE | 66 | TRP | CH2 | C25 | A | 400 | 3.96 | van der Waals | A | No SSE | 85 | TRP | CD2 | N45 | A | 400 | 3.85 | H.Bond | A | No SSE | 85 | TRP | NE1 | O51 | A | 400 | 3.93 | H.Bond | A | No SSE | 85 | TRP | CE2 | N45 | A | 400 | 3.76 | H.Bond | A | No SSE | 85 | TRP | CE3 | N45 | A | 400 | 3.72 | H.Bond | A | No SSE | 85 | TRP | CZ2 | N45 | A | 400 | 3.57 | H.Bond | A | No SSE | 85 | TRP | CZ2 | C50 | A | 400 | 3.74 | van der Waals | A | No SSE | 85 | TRP | CZ2 | O51 | A | 400 | 3.48 | van der Waals | A | No SSE | 85 | TRP | CZ2 | N52 | A | 400 | 3.9 | H.Bond | A | No SSE | 85 | TRP | CZ3 | C43 | A | 400 | 3.88 | van der Waals | A | No SSE | 85 | TRP | CZ3 | N45 | A | 400 | 3.49 | H.Bond | A | No SSE | 85 | TRP | CZ3 | C8B | A | 400 | 3.57 | van der Waals | A | No SSE | 85 | TRP | CZ3 | C6B | A | 400 | 3.79 | van der Waals | A | No SSE | 85 | TRP | CZ3 | C7B | A | 400 | 3.4 | van der Waals | A | No SSE | 85 | TRP | CH2 | C43 | A | 400 | 3.95 | van der Waals | A | No SSE | 85 | TRP | CH2 | N45 | A | 400 | 3.42 | H.Bond | A | No SSE | 85 | TRP | CH2 | N1B | A | 400 | 3.69 | H.Bond | A | No SSE | 85 | TRP | CH2 | C8B | A | 400 | 3.65 | van der Waals | A | No SSE | 85 | TRP | CH2 | C7B | A | 400 | 3.98 | van der Waals | A | No SSE | 87 | GLY | C | C1R | A | 400 | 3.83 | van der Waals | A | No SSE | 87 | GLY | O | C3R | A | 400 | 3.46 | van der Waals | A | No SSE | 87 | GLY | O | C2R | A | 400 | 3.05 | van der Waals | A | No SSE | 87 | GLY | O | C1R | A | 400 | 3.21 | van der Waals | A | No SSE | 87 | GLY | O | O6R | A | 400 | 3.76 | H.Bond | A | No SSE | 87 | GLY | O | C4R | A | 400 | 3.91 | van der Waals | A | No SSE | 87 | GLY | O | C5R | A | 400 | 3.95 | van der Waals | A | No SSE | 88 | GLY | CA | C7B | A | 400 | 3.54 | van der Waals | A | No SSE | 88 | GLY | O | C6M | A | 400 | 3.81 | van der Waals | A | No SSE | 162 | PHE | CD2 | C46 | A | 400 | 3.82 | van der Waals | A | No SSE | 162 | PHE | CE2 | C46 | A | 400 | 3.74 | van der Waals | A | No SSE | 168 | PHE | CB | C54 | A | 400 | 3.86 | van der Waals | A | No SSE | 168 | PHE | CG | C54 | A | 400 | 3.75 | van der Waals | A | No SSE | 168 | PHE | CG | C55 | A | 400 | 3.92 | van der Waals | A | No SSE | 168 | PHE | CD1 | C54 | A | 400 | 3.75 | van der Waals | A | No SSE | 168 | PHE | CD1 | C55 | A | 400 | 3.99 | van der Waals | A | No SSE | 168 | PHE | CD1 | O63 | A | 400 | 3.79 | van der Waals | A | No SSE | 168 | PHE | CD2 | C55 | A | 400 | 3.78 | van der Waals | A | No SSE | 168 | PHE | CD2 | O58 | A | 400 | 3.8 | van der Waals | A | No SSE | 168 | PHE | CE1 | C55 | A | 400 | 3.94 | van der Waals | A | No SSE | 168 | PHE | CE1 | O63 | A | 400 | 3.3 | van der Waals | A | No SSE | 168 | PHE | CE2 | C55 | A | 400 | 3.73 | van der Waals | A | No SSE | 168 | PHE | CE2 | C57 | A | 400 | 3.69 | van der Waals | A | No SSE | 168 | PHE | CE2 | O58 | A | 400 | 3.42 | van der Waals | A | No SSE | 168 | PHE | CZ | C55 | A | 400 | 3.81 | van der Waals | A | No SSE | 196 | TRP | CG | C49 | A | 400 | 3.92 | van der Waals | A | No SSE | 196 | TRP | CD1 | C49 | A | 400 | 3.77 | van der Waals | A | No SSE | 196 | TRP | CD2 | C49 | A | 400 | 3.58 | van der Waals | A | No SSE | 196 | TRP | NE1 | C49 | A | 400 | 3.36 | H.Bond | A | No SSE | 196 | TRP | NE1 | C50 | A | 400 | 3.77 | H.Bond | A | No SSE | 196 | TRP | CE2 | C49 | A | 400 | 3.22 | van der Waals | A | No SSE | 196 | TRP | CE3 | C13 | A | 400 | 3.99 | van der Waals | A | No SSE | 196 | TRP | CE3 | C53 | A | 400 | 3.79 | van der Waals | A | No SSE | 196 | TRP | CZ2 | C49 | A | 400 | 3.58 | van der Waals | A | No SSE | 196 | TRP | CZ3 | C46 | A | 400 | 3.84 | van der Waals | A | No SSE | 196 | TRP | CZ3 | C13 | A | 400 | 3.93 | van der Waals | A | No SSE | 196 | TRP | CH2 | C46 | A | 400 | 3.86 | van der Waals | A | 240-246 H: 1 | 241 | SER | C | N40 | A | 400 | 3.92 | H.Bond | A | 240-246 H: 1 | 241 | SER | CB | N40 | A | 400 | 3.71 | H.Bond | A | 240-246 H: 1 | 242 | ASP | N | N40 | A | 400 | 3.88 | H.Bond | A | 240-246 H: 1 | 242 | ASP | OD1 | C38 | A | 400 | 3.68 | van der Waals | A | 240-246 H: 1 | 242 | ASP | OD1 | O39 | A | 400 | 3.62 | H.Bond | A | 240-246 H: 1 | 242 | ASP | OD1 | N40 | A | 400 | 2.9 | H.Bond | A | 240-246 H: 1 | 245 | GLU | O | C42 | A | 400 | 3.31 | van der Waals | A | 240-246 H: 1 | 245 | GLU | O | C10 | A | 400 | 3.57 | van der Waals | A | 240-246 H: 1 | 245 | GLU | O | C47 | A | 400 | 3.34 | van der Waals | A | 240-246 H: 1 | 245 | GLU | CB | C10 | A | 400 | 3.91 | van der Waals | A | 240-246 H: 1 | 245 | GLU | OE1 | C37 | A | 400 | 3.39 | van der Waals | A | 240-246 H: 1 | 245 | GLU | OE1 | C38 | A | 400 | 3.56 | van der Waals | A | 240-246 H: 1 | 245 | GLU | OE1 | N40 | A | 400 | 3.47 | H.Bond | A | 240-246 H: 1 | 246 | ARG | CG | O39 | A | 400 | 3.44 | van der Waals | A | 240-246 H: 1 | 246 | ARG | CD | O39 | A | 400 | 3.6 | van der Waals | A | 240-246 H: 1 | 246 | ARG | NE | C38 | A | 400 | 3.78 | H.Bond | A | 240-246 H: 1 | 246 | ARG | NE | O39 | A | 400 | 2.65 | H.Bond | A | 240-246 H: 1 | 246 | ARG | CZ | O39 | A | 400 | 3.44 | van der Waals | A | 240-246 H: 1 | 246 | ARG | NH2 | O39 | A | 400 | 3.36 | H.Bond | A | Water | 433 | HOH | O | C43 | A | 400 | 3.95 | van der Waals | A | Water | 433 | HOH | O | N45 | A | 400 | 2.97 | H.Bond | A | Water | 449 | HOH | O | C47 | A | 400 | 3.38 | van der Waals | A | Water | 449 | HOH | O | O51 | A | 400 | 3.47 | H.Bond | A | Water | 455 | HOH | O | C32 | A | 400 | 3.41 | van der Waals | A | Water | 455 | HOH | O | O34 | A | 400 | 2.45 | H.Bond | A | Water | 490 | HOH | O | C57 | A | 400 | 3.64 | van der Waals | A | Water | 490 | HOH | O | O58 | A | 400 | 2.61 | H.Bond | A | Water | 490 | HOH | O | C1P | A | 400 | 3.57 | van der Waals | A | Water | 490 | HOH | O | C2P | A | 400 | 3.22 | van der Waals | A | Water | 490 | HOH | O | C3P | A | 400 | 3.66 | van der Waals | A | Water | 496 | HOH | O | C50 | A | 400 | 3.83 | van der Waals | A | Water | 496 | HOH | O | O51 | A | 400 | 2.8 | H.Bond | A | Water | 500 | HOH | O | C6M | A | 400 | 3.51 | van der Waals | A | Water | 503 | HOH | O | O4 | A | 400 | 2.95 | H.Bond | A | Water | 503 | HOH | O | O5 | A | 400 | 3.52 | H.Bond | A | Water | 503 | HOH | O | P | A | 400 | 3.17 | | A | Water | 503 | HOH | O | O2 | A | 400 | 2.94 | H.Bond | A | Water | 503 | HOH | O | C3R | A | 400 | 3.88 | van der Waals | A | Water | 503 | HOH | O | C2R | A | 400 | 3.8 | van der Waals | A | Water | 503 | HOH | O | O7R | A | 400 | 2.88 | H.Bond | A | Water | 511 | HOH | O | O51 | A | 400 | 3.78 | H.Bond | A | Water | 512 | HOH | O | C61 | A | 400 | 3.68 | van der Waals | A | Water | 512 | HOH | O | O63 | A | 400 | 3.05 | H.Bond | A | Water | 512 | HOH | O | N62 | A | 400 | 3.46 | H.Bond | A | Water | 516 | HOH | O | C42 | A | 400 | 3.64 | van der Waals | A | Water | 516 | HOH | O | C43 | A | 400 | 3.95 | van der Waals | A | Water | 516 | HOH | O | N45 | A | 400 | 3.45 | H.Bond | A | Water | 516 | HOH | O | C47 | A | 400 | 3.33 | van der Waals | A | Water | 529 | HOH | O | O7R | A | 400 | 3.38 | H.Bond | A | Water | 529 | HOH | O | C6M | A | 400 | 3.91 | van der Waals | A | Water | 529 | HOH | O | C7B | A | 400 | 3.56 | van der Waals | A | Water | 543 | HOH | O | C1P | A | 400 | 3.99 | van der Waals | A | Water | 543 | HOH | O | C3P | A | 400 | 3.56 | van der Waals | A | Water | 592 | HOH | O | C54 | A | 400 | 3.68 | van der Waals | A | Water | 592 | HOH | O | C60 | A | 400 | 3.87 | van der Waals | A | Water | 592 | HOH | O | C61 | A | 400 | 3.85 | van der Waals | A | Water | 592 | HOH | O | O63 | A | 400 | 3.12 | H.Bond | A | Water | 607 | HOH | O | C26 | A | 400 | 3.35 | van der Waals | A | Water | 607 | HOH | O | C27 | A | 400 | 3.87 | van der Waals | A | Water | 614 | HOH | O | C5R | A | 400 | 3.39 | van der Waals | A | Water | 614 | HOH | O | O8R | A | 400 | 2.93 | H.Bond | A | Water | 616 | HOH | O | N33 | A | 400 | 3.25 | H.Bond | A | Water | 620 | HOH | O | C27 | A | 400 | 3.65 | van der Waals | A | Water | 620 | HOH | O | O28 | A | 400 | 3.61 | H.Bond | A | Water | 620 | HOH | O | N29 | A | 400 | 2.95 | H.Bond | A | Water | 621 | HOH | O | C54 | A | 400 | 3.26 | van der Waals | A | Water | 622 | HOH | O | C56 | A | 400 | 3.53 | van der Waals | A | Water | 622 | HOH | O | N59 | A | 400 | 3.43 | H.Bond | A | Water | 622 | HOH | O | N62 | A | 400 | 2.78 | H.Bond | A | Water | 622 | HOH | O | O4 | A | 400 | 3.53 | H.Bond | A | Water | 623 | HOH | O | C50 | A | 400 | 3.58 | van der Waals | A | Water | 623 | HOH | O | O51 | A | 400 | 3.56 | H.Bond | A | Water | 623 | HOH | O | N52 | A | 400 | 2.86 | H.Bond | A | Water | 624 | HOH | O | O5 | A | 400 | 2.91 | H.Bond | A | Water | 624 | HOH | O | P | A | 400 | 3.88 | | A | Water | 624 | HOH | O | C2R | A | 400 | 3.79 | van der Waals | A | Water | 624 | HOH | O | O7R | A | 400 | 3.46 | H.Bond | A | Water | 625 | HOH | O | O5 | A | 400 | 2.96 | H.Bond | A | Water | 626 | HOH | O | C5R | A | 400 | 3.71 | van der Waals | A | Water | 627 | HOH | O | N45 | A | 400 | 2.99 | H.Bond | A | Water | 628 | HOH | O | C2P | A | 400 | 3.59 | van der Waals | A | Water | 628 | HOH | O | C3P | A | 400 | 3.41 | van der Waals | A | Water | 628 | HOH | O | O3 | A | 400 | 3.3 | H.Bond | A | Water | 628 | HOH | O | C5R | A | 400 | 3.8 | van der Waals | A | Water | 629 | HOH | O | O5 | A | 400 | 3.48 | H.Bond | A | Water | 629 | HOH | O | C3R | A | 400 | 3.85 | van der Waals | A | Water | 629 | HOH | O | C5R | A | 400 | 3.99 | van der Waals | |
| 2 / B |
> Structure: HLLLLLLLLH
+18w
> Sequence: SPAYWWGGFFWSDER
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CNC /(401) |
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> Graphics rep1:
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> Graphics rep2:
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Protein Chain | Prot SSE | Res Nbr | Res Name | RsAt.Name | LgAt.Name |
Lg Chain | Lg Nbr | Bnd Len | Bnd Type |
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B | 30-40 H: 1 | 30 | SER | CB | O44 | B | 401 | 3.84 | van der Waals | B | 30-40 H: 1 | 30 | SER | OG | O44 | B | 401 | 3.91 | H.Bond | B | 30-40 H: 1 | 31 | PRO | N | O44 | B | 401 | 3.34 | H.Bond | B | 30-40 H: 1 | 31 | PRO | CA | O44 | B | 401 | 3.77 | van der Waals | B | 30-40 H: 1 | 31 | PRO | C | O44 | B | 401 | 3.79 | van der Waals | B | 30-40 H: 1 | 31 | PRO | CB | O44 | B | 401 | 3.51 | van der Waals | B | 30-40 H: 1 | 31 | PRO | CG | C36 | B | 401 | 3.82 | van der Waals | B | 30-40 H: 1 | 31 | PRO | CG | O44 | B | 401 | 3.69 | van der Waals | B | 30-40 H: 1 | 31 | PRO | CD | O44 | B | 401 | 3.01 | van der Waals | B | 30-40 H: 1 | 32 | ALA | N | C43 | B | 401 | 3.9 | H.Bond | B | 30-40 H: 1 | 32 | ALA | N | O44 | B | 401 | 2.91 | H.Bond | B | 30-40 H: 1 | 32 | ALA | CA | O44 | B | 401 | 3.75 | van der Waals | B | 30-40 H: 1 | 32 | ALA | CB | C43 | B | 401 | 3.67 | van der Waals | B | 30-40 H: 1 | 32 | ALA | CB | O44 | B | 401 | 3.41 | van der Waals | B | 30-40 H: 1 | 32 | ALA | CB | N45 | B | 401 | 3.65 | H.Bond | B | No SSE | 50 | TYR | CB | C36 | B | 401 | 3.99 | van der Waals | B | No SSE | 50 | TYR | CD2 | C35 | B | 401 | 3.89 | van der Waals | B | No SSE | 50 | TYR | CE1 | C31 | B | 401 | 3.96 | van der Waals | B | No SSE | 50 | TYR | CE1 | C32 | B | 401 | 3.46 | van der Waals | B | No SSE | 50 | TYR | CE1 | O34 | B | 401 | 3.51 | van der Waals | B | No SSE | 50 | TYR | CE1 | N33 | B | 401 | 3.69 | H.Bond | B | No SSE | 50 | TYR | CE2 | C35 | B | 401 | 3.71 | van der Waals | B | No SSE | 50 | TYR | CZ | N33 | B | 401 | 3.99 | H.Bond | B | No SSE | 50 | TYR | CZ | C35 | B | 401 | 3.82 | van der Waals | B | No SSE | 50 | TYR | OH | C32 | B | 401 | 3.91 | van der Waals | B | No SSE | 50 | TYR | OH | N33 | B | 401 | 3.46 | H.Bond | B | No SSE | 66 | TRP | N | O34 | B | 401 | 3.8 | H.Bond | B | No SSE | 66 | TRP | CA | O34 | B | 401 | 3.81 | van der Waals | B | No SSE | 66 | TRP | CA | C6M | B | 401 | 3.83 | van der Waals | B | No SSE | 66 | TRP | CB | C32 | B | 401 | 3.49 | van der Waals | B | No SSE | 66 | TRP | CB | O34 | B | 401 | 2.8 | van der Waals | B | No SSE | 66 | TRP | CG | C32 | B | 401 | 3.8 | van der Waals | B | No SSE | 66 | TRP | CG | O34 | B | 401 | 3.47 | van der Waals | B | No SSE | 66 | TRP | CD1 | O7R | B | 401 | 3.96 | van der Waals | B | No SSE | 66 | TRP | CD1 | C6B | B | 401 | 3.92 | van der Waals | B | No SSE | 66 | TRP | CD2 | C32 | B | 401 | 3.93 | van der Waals | B | No SSE | 66 | TRP | NE1 | O7R | B | 401 | 3.41 | H.Bond | B | No SSE | 66 | TRP | CE3 | C32 | B | 401 | 3.94 | van der Waals | B | No SSE | 66 | TRP | CE3 | N33 | B | 401 | 3.75 | H.Bond | B | No SSE | 66 | TRP | CH2 | C25 | B | 401 | 3.93 | van der Waals | B | No SSE | 85 | TRP | CD2 | N45 | B | 401 | 3.7 | H.Bond | B | No SSE | 85 | TRP | NE1 | O51 | B | 401 | 3.99 | H.Bond | B | No SSE | 85 | TRP | CE2 | N45 | B | 401 | 3.62 | H.Bond | B | No SSE | 85 | TRP | CE3 | N45 | B | 401 | 3.6 | H.Bond | B | No SSE | 85 | TRP | CZ2 | N45 | B | 401 | 3.47 | H.Bond | B | No SSE | 85 | TRP | CZ2 | C50 | B | 401 | 3.87 | van der Waals | B | No SSE | 85 | TRP | CZ2 | O51 | B | 401 | 3.68 | van der Waals | B | No SSE | 85 | TRP | CZ3 | C43 | B | 401 | 3.87 | van der Waals | B | No SSE | 85 | TRP | CZ3 | N45 | B | 401 | 3.41 | H.Bond | B | No SSE | 85 | TRP | CZ3 | C8B | B | 401 | 3.64 | van der Waals | B | No SSE | 85 | TRP | CZ3 | C6B | B | 401 | 3.93 | van der Waals | B | No SSE | 85 | TRP | CZ3 | C7B | B | 401 | 3.58 | van der Waals | B | No SSE | 85 | TRP | CH2 | C43 | B | 401 | 3.91 | van der Waals | B | No SSE | 85 | TRP | CH2 | N45 | B | 401 | 3.34 | H.Bond | B | No SSE | 85 | TRP | CH2 | N1B | B | 401 | 3.69 | H.Bond | B | No SSE | 85 | TRP | CH2 | C8B | B | 401 | 3.66 | van der Waals | B | No SSE | 85 | TRP | CH2 | C2B | B | 401 | 3.99 | van der Waals | B | No SSE | 85 | TRP | CH2 | C9B | B | 401 | 3.99 | van der Waals | B | No SSE | 87 | GLY | C | C1R | B | 401 | 3.78 | van der Waals | B | No SSE | 87 | GLY | O | C3R | B | 401 | 3.59 | van der Waals | B | No SSE | 87 | GLY | O | C2R | B | 401 | 3.09 | van der Waals | B | No SSE | 87 | GLY | O | C1R | B | 401 | 3.13 | van der Waals | B | No SSE | 87 | GLY | O | O6R | B | 401 | 3.73 | H.Bond | B | No SSE | 87 | GLY | O | C4R | B | 401 | 3.96 | van der Waals | B | No SSE | 87 | GLY | O | C5R | B | 401 | 3.98 | van der Waals | B | No SSE | 88 | GLY | CA | C7B | B | 401 | 3.45 | van der Waals | B | No SSE | 88 | GLY | O | C6M | B | 401 | 3.7 | van der Waals | B | No SSE | 162 | PHE | CD2 | C46 | B | 401 | 3.93 | van der Waals | B | No SSE | 162 | PHE | CE2 | C46 | B | 401 | 3.84 | van der Waals | B | No SSE | 168 | PHE | CB | C54 | B | 401 | 3.98 | van der Waals | B | No SSE | 168 | PHE | CG | C54 | B | 401 | 3.87 | van der Waals | B | No SSE | 168 | PHE | CD1 | C54 | B | 401 | 3.8 | van der Waals | B | No SSE | 168 | PHE | CD1 | N62 | B | 401 | 3.67 | H.Bond | B | No SSE | 168 | PHE | CD2 | C55 | B | 401 | 3.96 | van der Waals | B | No SSE | 168 | PHE | CD2 | O58 | B | 401 | 3.97 | van der Waals | B | No SSE | 168 | PHE | CE1 | C55 | B | 401 | 3.99 | van der Waals | B | No SSE | 168 | PHE | CE1 | N62 | B | 401 | 3.27 | H.Bond | B | No SSE | 168 | PHE | CE2 | C55 | B | 401 | 3.91 | van der Waals | B | No SSE | 168 | PHE | CE2 | C57 | B | 401 | 3.84 | van der Waals | B | No SSE | 168 | PHE | CE2 | O58 | B | 401 | 3.58 | van der Waals | B | No SSE | 168 | PHE | CZ | C55 | B | 401 | 3.93 | van der Waals | B | No SSE | 196 | TRP | CG | C49 | B | 401 | 3.99 | van der Waals | B | No SSE | 196 | TRP | CD1 | C49 | B | 401 | 3.78 | van der Waals | B | No SSE | 196 | TRP | CD2 | C49 | B | 401 | 3.66 | van der Waals | B | No SSE | 196 | TRP | NE1 | C49 | B | 401 | 3.33 | H.Bond | B | No SSE | 196 | TRP | NE1 | C50 | B | 401 | 3.74 | H.Bond | B | No SSE | 196 | TRP | CE2 | C49 | B | 401 | 3.24 | van der Waals | B | No SSE | 196 | TRP | CE3 | C53 | B | 401 | 3.86 | van der Waals | B | No SSE | 196 | TRP | CZ2 | C49 | B | 401 | 3.58 | van der Waals | B | No SSE | 196 | TRP | CZ3 | C46 | B | 401 | 3.97 | van der Waals | B | No SSE | 196 | TRP | CH2 | C46 | B | 401 | 3.93 | van der Waals | B | 240-246 H: 1 | 241 | SER | C | N40 | B | 401 | 3.84 | H.Bond | B | 240-246 H: 1 | 241 | SER | CB | N40 | B | 401 | 3.58 | H.Bond | B | 240-246 H: 1 | 242 | ASP | N | N40 | B | 401 | 3.7 | H.Bond | B | 240-246 H: 1 | 242 | ASP | CA | N40 | B | 401 | 3.97 | H.Bond | B | 240-246 H: 1 | 242 | ASP | OD1 | C38 | B | 401 | 3.75 | van der Waals | B | 240-246 H: 1 | 242 | ASP | OD1 | O39 | B | 401 | 3.7 | H.Bond | B | 240-246 H: 1 | 242 | ASP | OD1 | N40 | B | 401 | 2.95 | H.Bond | B | 240-246 H: 1 | 245 | GLU | O | C42 | B | 401 | 3.3 | van der Waals | B | 240-246 H: 1 | 245 | GLU | O | C10 | B | 401 | 3.58 | van der Waals | B | 240-246 H: 1 | 245 | GLU | O | C47 | B | 401 | 3.31 | van der Waals | B | 240-246 H: 1 | 245 | GLU | CB | C10 | B | 401 | 3.83 | van der Waals | B | 240-246 H: 1 | 245 | GLU | OE1 | C37 | B | 401 | 3.2 | van der Waals | B | 240-246 H: 1 | 245 | GLU | OE1 | C38 | B | 401 | 3.56 | van der Waals | B | 240-246 H: 1 | 245 | GLU | OE1 | N40 | B | 401 | 3.79 | H.Bond | B | 240-246 H: 1 | 246 | ARG | CG | O39 | B | 401 | 3.35 | van der Waals | B | 240-246 H: 1 | 246 | ARG | CD | O39 | B | 401 | 3.57 | van der Waals | B | 240-246 H: 1 | 246 | ARG | NE | C38 | B | 401 | 3.77 | H.Bond | B | 240-246 H: 1 | 246 | ARG | NE | O39 | B | 401 | 2.7 | H.Bond | B | 240-246 H: 1 | 246 | ARG | CZ | O39 | B | 401 | 3.57 | van der Waals | B | 240-246 H: 1 | 246 | ARG | NH2 | O39 | B | 401 | 3.57 | H.Bond | B | Water | 430 | HOH | O | C26 | B | 401 | 3.82 | van der Waals | B | Water | 430 | HOH | O | C27 | B | 401 | 3.93 | van der Waals | B | Water | 430 | HOH | O | O28 | B | 401 | 3.21 | H.Bond | B | Water | 430 | HOH | O | C4 | B | 401 | 3.71 | van der Waals | B | Water | 430 | HOH | O | C5 | B | 401 | 3.53 | van der Waals | B | Water | 430 | HOH | O | C35 | B | 401 | 3.77 | van der Waals | B | Water | 430 | HOH | O | C6 | B | 401 | 3.97 | van der Waals | B | Water | 430 | HOH | O | C37 | B | 401 | 3.87 | van der Waals | B | Water | 431 | HOH | O | C43 | B | 401 | 3.95 | van der Waals | B | Water | 431 | HOH | O | N45 | B | 401 | 2.92 | H.Bond | B | Water | 449 | HOH | O | C42 | B | 401 | 3.43 | van der Waals | B | Water | 449 | HOH | O | C43 | B | 401 | 3.6 | van der Waals | B | Water | 449 | HOH | O | N45 | B | 401 | 3.13 | H.Bond | B | Water | 449 | HOH | O | C47 | B | 401 | 3.64 | van der Waals | B | Water | 455 | HOH | O | C32 | B | 401 | 3.44 | van der Waals | B | Water | 455 | HOH | O | O34 | B | 401 | 2.51 | H.Bond | B | Water | 455 | HOH | O | N33 | B | 401 | 3.79 | H.Bond | B | Water | 459 | HOH | O | C50 | B | 401 | 3.9 | van der Waals | B | Water | 459 | HOH | O | O51 | B | 401 | 2.78 | H.Bond | B | Water | 464 | HOH | O | C47 | B | 401 | 3.38 | van der Waals | B | Water | 472 | HOH | O | C57 | B | 401 | 3.71 | van der Waals | B | Water | 472 | HOH | O | O58 | B | 401 | 2.62 | H.Bond | B | Water | 472 | HOH | O | C1P | B | 401 | 3.82 | van der Waals | B | Water | 472 | HOH | O | C2P | B | 401 | 3.5 | van der Waals | B | Water | 472 | HOH | O | C3P | B | 401 | 3.99 | van der Waals | B | Water | 499 | HOH | O | C6M | B | 401 | 3.94 | van der Waals | B | Water | 514 | HOH | O | C6M | B | 401 | 3.85 | van der Waals | B | Water | 522 | HOH | O | C26 | B | 401 | 3.37 | van der Waals | B | Water | 522 | HOH | O | C54 | B | 401 | 3.52 | van der Waals | B | Water | 522 | HOH | O | C60 | B | 401 | 3.66 | van der Waals | B | Water | 522 | HOH | O | C19 | B | 401 | 3.62 | van der Waals | B | Water | 526 | HOH | O | C56 | B | 401 | 3.98 | van der Waals | B | Water | 526 | HOH | O | N59 | B | 401 | 3.94 | H.Bond | B | Water | 526 | HOH | O | O4 | B | 401 | 2.9 | H.Bond | B | Water | 526 | HOH | O | P | B | 401 | 3.44 | | B | Water | 526 | HOH | O | O2 | B | 401 | 3.07 | H.Bond | B | Water | 526 | HOH | O | O7R | B | 401 | 3.16 | H.Bond | B | Water | 530 | HOH | O | C37 | B | 401 | 3.54 | van der Waals | B | Water | 530 | HOH | O | C38 | B | 401 | 3.66 | van der Waals | B | Water | 530 | HOH | O | N40 | B | 401 | 2.89 | H.Bond | B | Water | 564 | HOH | O | N33 | B | 401 | 3.92 | H.Bond | B | Water | 575 | HOH | O | C3P | B | 401 | 3.94 | van der Waals | B | Water | 595 | HOH | O | C2R | B | 401 | 3.84 | van der Waals | B | Water | 595 | HOH | O | O7R | B | 401 | 3.22 | H.Bond | B | Water | 595 | HOH | O | C6M | B | 401 | 3.99 | van der Waals | B | Water | 595 | HOH | O | C7B | B | 401 | 3.58 | van der Waals | B | Water | 599 | HOH | O | N52 | B | 401 | 3.98 | H.Bond | B | Water | 599 | HOH | O | C5R | B | 401 | 3.57 | van der Waals | B | Water | 599 | HOH | O | O8R | B | 401 | 2.89 | H.Bond | B | Water | 600 | HOH | O | O5 | B | 401 | 2.94 | H.Bond | B | Water | 601 | HOH | O | C50 | B | 401 | 3.41 | van der Waals | B | Water | 601 | HOH | O | O51 | B | 401 | 3.24 | H.Bond | B | Water | 601 | HOH | O | N52 | B | 401 | 2.89 | H.Bond | |
Nbr of Motifs per PDB entry | PDB Entry | Title | Determination Method | Resolution | R-Factor |
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1 | 1N4A | The Ligand Bound Structure of E.coli BtuF, the Periplasmic Binding Protein for Vitamin B12 | X-RAY | 2.00 | 0.234
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| Motif No./Chain | Motif | Bound Ligand /(Nbr. in PDB) | Show Details |
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| 1 / A |
> Structure: HLLLSLLLLLLHL
+37w
> Sequence: SPAYTWWGGFNFWSDER
|
CNC /(501) |
[+] |
|
> Graphics rep1:
|
[+] |
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> Graphics rep2:
|
[+] |
| |
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Protein Chain | Prot SSE | Res Nbr | Res Name | RsAt.Name | LgAt.Name |
Lg Chain | Lg Nbr | Bnd Len | Bnd Type |
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A | 8-18 H: 1 | 8 | SER | CB | N45 | A | 501 | 3.72 | H.Bond | A | 8-18 H: 1 | 8 | SER | OG | N45 | A | 501 | 3.83 | H.Bond | A | 8-18 H: 1 | 9 | PRO | N | N45 | A | 501 | 3.42 | H.Bond | A | 8-18 H: 1 | 9 | PRO | CA | N45 | A | 501 | 3.88 | H.Bond | A | 8-18 H: 1 | 9 | PRO | C | N45 | A | 501 | 3.95 | H.Bond | A | 8-18 H: 1 | 9 | PRO | CB | N45 | A | 501 | 3.53 | H.Bond | A | 8-18 H: 1 | 9 | PRO | CG | C36 | A | 501 | 3.79 | van der Waals | A | 8-18 H: 1 | 9 | PRO | CG | N45 | A | 501 | 3.65 | H.Bond | A | 8-18 H: 1 | 9 | PRO | CD | N45 | A | 501 | 3.03 | H.Bond | A | 8-18 H: 1 | 10 | ALA | N | N45 | A | 501 | 3.08 | H.Bond | A | 8-18 H: 1 | 10 | ALA | CA | N45 | A | 501 | 3.92 | H.Bond | A | 8-18 H: 1 | 10 | ALA | CB | C43 | A | 501 | 3.73 | van der Waals | A | 8-18 H: 1 | 10 | ALA | CB | O44 | A | 501 | 3.54 | van der Waals | A | 8-18 H: 1 | 10 | ALA | CB | N45 | A | 501 | 3.56 | H.Bond | A | No SSE | 28 | TYR | CB | C36 | A | 501 | 3.95 | van der Waals | A | No SSE | 28 | TYR | CD1 | N33 | A | 501 | 3.85 | H.Bond | A | No SSE | 28 | TYR | CD2 | C35 | A | 501 | 3.8 | van der Waals | A | No SSE | 28 | TYR | CE1 | C32 | A | 501 | 3.44 | van der Waals | A | No SSE | 28 | TYR | CE1 | O34 | A | 501 | 3.67 | van der Waals | A | No SSE | 28 | TYR | CE1 | N33 | A | 501 | 3.15 | H.Bond | A | No SSE | 28 | TYR | CE2 | C35 | A | 501 | 3.65 | van der Waals | A | No SSE | 28 | TYR | CZ | C32 | A | 501 | 3.81 | van der Waals | A | No SSE | 28 | TYR | CZ | O34 | A | 501 | 3.87 | van der Waals | A | No SSE | 28 | TYR | CZ | N33 | A | 501 | 3.95 | H.Bond | A | No SSE | 28 | TYR | CZ | C35 | A | 501 | 3.79 | van der Waals | A | No SSE | 28 | TYR | OH | C31 | A | 501 | 3.91 | van der Waals | A | No SSE | 28 | TYR | OH | C32 | A | 501 | 3.48 | van der Waals | A | No SSE | 28 | TYR | OH | O34 | A | 501 | 3.2 | H.Bond | A | No SSE | 43 | THR | O | C6M | A | 501 | 3.85 | van der Waals | A | No SSE | 44 | TRP | CA | C5M | A | 501 | 3.93 | van der Waals | A | No SSE | 44 | TRP | CA | C6B | A | 501 | 3.97 | van der Waals | A | No SSE | 44 | TRP | CA | C6M | A | 501 | 3.63 | van der Waals | A | No SSE | 44 | TRP | O | C6B | A | 501 | 3.99 | van der Waals | A | No SSE | 44 | TRP | O | C6M | A | 501 | 3.55 | van der Waals | A | No SSE | 44 | TRP | CB | C32 | A | 501 | 3.91 | van der Waals | A | No SSE | 44 | TRP | CB | N33 | A | 501 | 3.12 | H.Bond | A | No SSE | 44 | TRP | CG | C30 | A | 501 | 3.88 | van der Waals | A | No SSE | 44 | TRP | CD1 | C20 | A | 501 | 3.84 | van der Waals | A | No SSE | 44 | TRP | CD1 | O7R | A | 501 | 3.87 | van der Waals | A | No SSE | 44 | TRP | CD2 | C30 | A | 501 | 3.87 | van der Waals | A | No SSE | 44 | TRP | NE1 | C20 | A | 501 | 3.43 | H.Bond | A | No SSE | 44 | TRP | NE1 | O7R | A | 501 | 3.7 | H.Bond | A | No SSE | 44 | TRP | CE2 | C20 | A | 501 | 3.66 | van der Waals | A | No SSE | 44 | TRP | CE3 | C31 | A | 501 | 3.79 | van der Waals | A | No SSE | 44 | TRP | CE3 | C32 | A | 501 | 3.92 | van der Waals | A | No SSE | 44 | TRP | CZ2 | C25 | A | 501 | 3.95 | van der Waals | A | No SSE | 44 | TRP | CH2 | C25 | A | 501 | 3.88 | van der Waals | A | 59-63 S: 1 | 63 | TRP | CD2 | O44 | A | 501 | 3.62 | van der Waals | A | 59-63 S: 1 | 63 | TRP | NE1 | N52 | A | 501 | 3.85 | H.Bond | A | 59-63 S: 1 | 63 | TRP | CE2 | O44 | A | 501 | 3.54 | van der Waals | A | 59-63 S: 1 | 63 | TRP | CE3 | C43 | A | 501 | 3.98 | van der Waals | A | 59-63 S: 1 | 63 | TRP | CE3 | O44 | A | 501 | 3.55 | van der Waals | A | 59-63 S: 1 | 63 | TRP | CE3 | C7B | A | 501 | 3.97 | van der Waals | A | 59-63 S: 1 | 63 | TRP | CZ2 | O44 | A | 501 | 3.42 | van der Waals | A | 59-63 S: 1 | 63 | TRP | CZ2 | C50 | A | 501 | 3.73 | van der Waals | A | 59-63 S: 1 | 63 | TRP | CZ2 | O51 | A | 501 | 3.97 | van der Waals | A | 59-63 S: 1 | 63 | TRP | CZ2 | N52 | A | 501 | 3.65 | H.Bond | A | 59-63 S: 1 | 63 | TRP | CZ3 | C43 | A | 501 | 3.55 | van der Waals | A | 59-63 S: 1 | 63 | TRP | CZ3 | O44 | A | 501 | 3.4 | van der Waals | A | 59-63 S: 1 | 63 | TRP | CZ3 | N1B | A | 501 | 3.98 | H.Bond | A | 59-63 S: 1 | 63 | TRP | CZ3 | C8B | A | 501 | 3.44 | van der Waals | A | 59-63 S: 1 | 63 | TRP | CZ3 | C9B | A | 501 | 3.89 | van der Waals | A | 59-63 S: 1 | 63 | TRP | CZ3 | C6B | A | 501 | 3.62 | van der Waals | A | 59-63 S: 1 | 63 | TRP | CZ3 | C7B | A | 501 | 3.31 | van der Waals | A | 59-63 S: 1 | 63 | TRP | CH2 | C42 | A | 501 | 3.72 | van der Waals | A | 59-63 S: 1 | 63 | TRP | CH2 | C43 | A | 501 | 3.63 | van der Waals | A | 59-63 S: 1 | 63 | TRP | CH2 | O44 | A | 501 | 3.33 | van der Waals | A | 59-63 S: 1 | 63 | TRP | CH2 | N1B | A | 501 | 3.75 | H.Bond | A | 59-63 S: 1 | 63 | TRP | CH2 | C8B | A | 501 | 3.67 | van der Waals | A | No SSE | 65 | GLY | O | C3R | A | 501 | 3.29 | van der Waals | A | No SSE | 65 | GLY | O | C2R | A | 501 | 2.94 | van der Waals | A | No SSE | 65 | GLY | O | C1R | A | 501 | 3.19 | van der Waals | A | No SSE | 65 | GLY | O | O6R | A | 501 | 3.59 | H.Bond | A | No SSE | 65 | GLY | O | C4R | A | 501 | 3.75 | van der Waals | A | No SSE | 65 | GLY | O | C5R | A | 501 | 3.81 | van der Waals | A | No SSE | 66 | GLY | CA | C2R | A | 501 | 3.96 | van der Waals | A | No SSE | 66 | GLY | CA | C1R | A | 501 | 3.71 | van der Waals | A | No SSE | 66 | GLY | CA | C7B | A | 501 | 3.65 | van der Waals | A | No SSE | 66 | GLY | C | C7B | A | 501 | 3.92 | van der Waals | A | No SSE | 66 | GLY | O | C2R | A | 501 | 3.89 | van der Waals | A | No SSE | 66 | GLY | O | O7R | A | 501 | 3.78 | H.Bond | A | No SSE | 66 | GLY | O | C7B | A | 501 | 3.58 | van der Waals | A | No SSE | 140 | PHE | CD2 | C46 | A | 501 | 3.81 | van der Waals | A | No SSE | 140 | PHE | CE2 | C46 | A | 501 | 3.82 | van der Waals | A | No SSE | 143 | ASN | O | N62 | A | 501 | 3.95 | H.Bond | A | No SSE | 146 | PHE | CG | C55 | A | 501 | 3.99 | van der Waals | A | No SSE | 146 | PHE | CD1 | C54 | A | 501 | 3.8 | van der Waals | A | No SSE | 146 | PHE | CD1 | C55 | A | 501 | 3.8 | van der Waals | A | No SSE | 146 | PHE | CD2 | O58 | A | 501 | 3.78 | van der Waals | A | No SSE | 146 | PHE | CE1 | C55 | A | 501 | 3.67 | van der Waals | A | No SSE | 146 | PHE | CE1 | N62 | A | 501 | 3.48 | H.Bond | A | No SSE | 146 | PHE | CE2 | C55 | A | 501 | 3.92 | van der Waals | A | No SSE | 146 | PHE | CE2 | C57 | A | 501 | 3.65 | van der Waals | A | No SSE | 146 | PHE | CE2 | O58 | A | 501 | 3.35 | van der Waals | A | No SSE | 146 | PHE | CZ | C55 | A | 501 | 3.73 | van der Waals | A | No SSE | 146 | PHE | CZ | C57 | A | 501 | 3.83 | van der Waals | A | No SSE | 146 | PHE | CZ | O58 | A | 501 | 3.96 | van der Waals | A | No SSE | 146 | PHE | CZ | N59 | A | 501 | 3.92 | H.Bond | A | No SSE | 174 | TRP | CG | C49 | A | 501 | 3.96 | van der Waals | A | No SSE | 174 | TRP | CD1 | C49 | A | 501 | 3.85 | van der Waals | A | No SSE | 174 | TRP | CD1 | C50 | A | 501 | 3.86 | van der Waals | A | No SSE | 174 | TRP | CD2 | C49 | A | 501 | 3.59 | van der Waals | A | No SSE | 174 | TRP | NE1 | C49 | A | 501 | 3.42 | H.Bond | A | No SSE | 174 | TRP | NE1 | C50 | A | 501 | 3.58 | H.Bond | A | No SSE | 174 | TRP | NE1 | N52 | A | 501 | 3.71 | H.Bond | A | No SSE | 174 | TRP | CE2 | C49 | A | 501 | 3.24 | van der Waals | A | No SSE | 174 | TRP | CE2 | C50 | A | 501 | 3.95 | van der Waals | A | No SSE | 174 | TRP | CZ2 | C49 | A | 501 | 3.56 | van der Waals | A | No SSE | 174 | TRP | CH2 | C46 | A | 501 | 3.94 | van der Waals | A | 218-223 H: 1 | 219 | SER | C | O39 | A | 501 | 3.78 | van der Waals | A | 218-223 H: 1 | 219 | SER | O | O39 | A | 501 | 3.96 | H.Bond | A | 218-223 H: 1 | 219 | SER | CB | O39 | A | 501 | 3.63 | van der Waals | A | 218-223 H: 1 | 220 | ASP | N | O39 | A | 501 | 3.71 | H.Bond | A | 218-223 H: 1 | 220 | ASP | CA | O39 | A | 501 | 3.9 | van der Waals | A | 218-223 H: 1 | 220 | ASP | OD1 | C38 | A | 501 | 3.68 | van der Waals | A | 218-223 H: 1 | 220 | ASP | OD1 | O39 | A | 501 | 2.83 | H.Bond | A | 218-223 H: 1 | 220 | ASP | OD1 | N40 | A | 501 | 3.77 | H.Bond | A | 218-223 H: 1 | 223 | GLU | O | C42 | A | 501 | 3.12 | van der Waals | A | 218-223 H: 1 | 223 | GLU | O | C10 | A | 501 | 3.54 | van der Waals | A | 218-223 H: 1 | 223 | GLU | O | C47 | A | 501 | 3.33 | van der Waals | A | 218-223 H: 1 | 223 | GLU | CB | C10 | A | 501 | 3.76 | van der Waals | A | 218-223 H: 1 | 223 | GLU | CD | N1A | A | 501 | 3.44 | H.Bond | A | 218-223 H: 1 | 223 | GLU | OE1 | N1A | A | 501 | 3.32 | H.Bond | A | 218-223 H: 1 | 223 | GLU | OE2 | N22 | A | 501 | 3.72 | H.Bond | A | 218-223 H: 1 | 223 | GLU | OE2 | C7 | A | 501 | 3.91 | van der Waals | A | 218-223 H: 1 | 223 | GLU | OE2 | C37 | A | 501 | 3.07 | van der Waals | A | 218-223 H: 1 | 223 | GLU | OE2 | C38 | A | 501 | 3.62 | van der Waals | A | 218-223 H: 1 | 223 | GLU | OE2 | C8 | A | 501 | 3.7 | van der Waals | A | 218-223 H: 1 | 223 | GLU | OE2 | C9 | A | 501 | 3.42 | van der Waals | A | 218-223 H: 1 | 223 | GLU | OE2 | C10 | A | 501 | 3.66 | van der Waals | A | 218-223 H: 1 | 223 | GLU | OE2 | N1A | A | 501 | 2.92 | H.Bond | A | 218-223 H: 1 | 223 | GLU | OE2 | C1A | A | 501 | 3.47 | van der Waals | A | No SSE | 224 | ARG | CG | N40 | A | 501 | 3.58 | H.Bond | A | No SSE | 224 | ARG | CG | C42 | A | 501 | 3.89 | van der Waals | A | No SSE | 224 | ARG | CD | N40 | A | 501 | 3.71 | H.Bond | A | No SSE | 224 | ARG | NE | C38 | A | 501 | 3.91 | H.Bond | A | No SSE | 224 | ARG | NE | N40 | A | 501 | 2.74 | H.Bond | A | No SSE | 224 | ARG | CZ | N40 | A | 501 | 3.5 | H.Bond | A | No SSE | 224 | ARG | NH2 | N40 | A | 501 | 3.38 | H.Bond | A | Water | 7009 | HOH | O | O5 | A | 501 | 3.54 | H.Bond | A | Water | 7012 | HOH | O | N52 | A | 501 | 3.83 | H.Bond | A | Water | 7034 | HOH | O | O44 | A | 501 | 3.05 | H.Bond | A | Water | 7035 | HOH | O | C32 | A | 501 | 3.75 | van der Waals | A | Water | 7035 | HOH | O | N33 | A | 501 | 2.65 | H.Bond | A | Water | 7036 | HOH | O | C37 | A | 501 | 3.63 | van der Waals | A | Water | 7036 | HOH | O | C38 | A | 501 | 3.81 | van der Waals | A | Water | 7036 | HOH | O | O39 | A | 501 | 3.14 | H.Bond | A | Water | 7041 | HOH | O | O44 | A | 501 | 3.47 | H.Bond | A | Water | 7041 | HOH | O | C47 | A | 501 | 3.58 | van der Waals | A | Water | 7046 | HOH | O | C50 | A | 501 | 3.85 | van der Waals | A | Water | 7046 | HOH | O | N52 | A | 501 | 2.64 | H.Bond | A | Water | 7048 | HOH | O | C60 | A | 501 | 3.75 | van der Waals | A | Water | 7048 | HOH | O | C61 | A | 501 | 3.63 | van der Waals | A | Water | 7048 | HOH | O | N62 | A | 501 | 2.67 | H.Bond | A | Water | 7057 | HOH | O | C6M | A | 501 | 3.85 | van der Waals | A | Water | 7067 | HOH | O | C6M | A | 501 | 3.78 | van der Waals | A | Water | 7069 | HOH | O | C57 | A | 501 | 3.76 | van der Waals | A | Water | 7069 | HOH | O | O58 | A | 501 | 2.71 | H.Bond | A | Water | 7069 | HOH | O | C1P | A | 501 | 3.82 | van der Waals | A | Water | 7069 | HOH | O | C2P | A | 501 | 3.1 | van der Waals | A | Water | 7069 | HOH | O | C3P | A | 501 | 3.65 | van der Waals | A | Water | 7094 | HOH | O | C47 | A | 501 | 3.35 | van der Waals | A | Water | 7094 | HOH | O | C49 | A | 501 | 3.86 | van der Waals | A | Water | 7094 | HOH | O | N52 | A | 501 | 3.51 | H.Bond | A | Water | 7115 | HOH | O | O4 | A | 501 | 3.41 | H.Bond | A | Water | 7115 | HOH | O | O5 | A | 501 | 3.07 | H.Bond | A | Water | 7115 | HOH | O | P | A | 501 | 3.25 | | A | Water | 7115 | HOH | O | O2 | A | 501 | 3.19 | H.Bond | A | Water | 7115 | HOH | O | C3R | A | 501 | 3.82 | van der Waals | A | Water | 7115 | HOH | O | C2R | A | 501 | 3.73 | van der Waals | A | Water | 7115 | HOH | O | O7R | A | 501 | 3.07 | H.Bond | A | Water | 7131 | HOH | O | N52 | A | 501 | 3.73 | H.Bond | A | Water | 7143 | HOH | O | C26 | A | 501 | 3.55 | van der Waals | A | Water | 7143 | HOH | O | C27 | A | 501 | 3.42 | van der Waals | A | Water | 7143 | HOH | O | O28 | A | 501 | 2.76 | H.Bond | A | Water | 7143 | HOH | O | C5 | A | 501 | 3.91 | van der Waals | A | Water | 7143 | HOH | O | C35 | A | 501 | 3.86 | van der Waals | A | Water | 7143 | HOH | O | N1A | A | 501 | 3.92 | H.Bond | A | Water | 7167 | HOH | O | C2P | A | 501 | 3.63 | van der Waals | A | Water | 7167 | HOH | O | C3P | A | 501 | 3.44 | van der Waals | A | Water | 7167 | HOH | O | O3 | A | 501 | 2.88 | H.Bond | A | Water | 7167 | HOH | O | O5 | A | 501 | 3.27 | H.Bond | A | Water | 7167 | HOH | O | P | A | 501 | 3.76 | | A | Water | 7167 | HOH | O | C5R | A | 501 | 3.98 | van der Waals | A | Water | 7179 | HOH | O | C61 | A | 501 | 3.53 | van der Waals | A | Water | 7179 | HOH | O | O63 | A | 501 | 2.91 | H.Bond | A | Water | 7179 | HOH | O | N62 | A | 501 | 3.99 | H.Bond | A | Water | 7187 | HOH | O | N59 | A | 501 | 3.82 | H.Bond | A | Water | 7187 | HOH | O | O4 | A | 501 | 3 | H.Bond | A | Water | 7187 | HOH | O | P | A | 501 | 3.53 | | A | Water | 7187 | HOH | O | O2 | A | 501 | 2.99 | H.Bond | A | Water | 7187 | HOH | O | O7R | A | 501 | 3.49 | H.Bond | A | Water | 7203 | HOH | O | C2R | A | 501 | 3.54 | van der Waals | A | Water | 7203 | HOH | O | O7R | A | 501 | 2.6 | H.Bond | A | Water | 7203 | HOH | O | C7B | A | 501 | 3.69 | van der Waals | A | Water | 7223 | HOH | O | C3P | A | 501 | 3.69 | van der Waals | A | Water | 7225 | HOH | O | C50 | A | 501 | 3.52 | van der Waals | A | Water | 7225 | HOH | O | O51 | A | 501 | 3.14 | H.Bond | A | Water | 7225 | HOH | O | N52 | A | 501 | 3.1 | H.Bond | A | Water | 7239 | HOH | O | C25 | A | 501 | 3.89 | van der Waals | A | Water | 7250 | HOH | O | C20 | A | 501 | 3.34 | van der Waals | A | Water | 7250 | HOH | O | C56 | A | 501 | 2.94 | van der Waals | A | Water | 7250 | HOH | O | C57 | A | 501 | 3.74 | van der Waals | A | Water | 7250 | HOH | O | O2 | A | 501 | 2.66 | H.Bond | A | Water | 7250 | HOH | O | C3R | A | 501 | 2.98 | van der Waals | A | Water | 7250 | HOH | O | C2R | A | 501 | 2.85 | van der Waals | A | Water | 7250 | HOH | O | O7R | A | 501 | 2.43 | H.Bond | A | Water | 7250 | HOH | O | C1R | A | 501 | 3.14 | van der Waals | A | Water | 7250 | HOH | O | O6R | A | 501 | 3.39 | H.Bond | A | Water | 7250 | HOH | O | C4R | A | 501 | 3.27 | van der Waals | A | Water | 7250 | HOH | O | N1B | A | 501 | 2.95 | H.Bond | A | Water | 7250 | HOH | O | C8B | A | 501 | 3.72 | van der Waals | A | Water | 7250 | HOH | O | C2B | A | 501 | 2.94 | van der Waals | A | Water | 7250 | HOH | O | N3B | A | 501 | 3.68 | H.Bond | A | Water | 7279 | HOH | O | C61 | A | 501 | 3.74 | van der Waals | A | Water | 7279 | HOH | O | O63 | A | 501 | 3.31 | H.Bond | A | Water | 7279 | HOH | O | N62 | A | 501 | 3.3 | H.Bond | A | Water | 7298 | HOH | O | C5M | A | 501 | 3.28 | van der Waals | A | Water | 7325 | HOH | O | C56 | A | 501 | 3.73 | van der Waals | A | Water | 7325 | HOH | O | C57 | A | 501 | 3.82 | van der Waals | A | Water | 7325 | HOH | O | N59 | A | 501 | 2.94 | H.Bond | A | Water | 7325 | HOH | O | C61 | A | 501 | 3.86 | van der Waals | A | Water | 7325 | HOH | O | O63 | A | 501 | 2.66 | H.Bond | A | Water | 7325 | HOH | O | C1P | A | 501 | 3.74 | van der Waals | A | Water | 7325 | HOH | O | O4 | A | 501 | 3.58 | H.Bond | A | Water | 7376 | HOH | O | O44 | A | 501 | 2.92 | H.Bond | A | Water | 7431 | HOH | O | C27 | A | 501 | 3.7 | van der Waals | A | Water | 7431 | HOH | O | O28 | A | 501 | 2.78 | H.Bond | A | Water | 7436 | HOH | O | N1A | A | 501 | 3.02 | H.Bond | A | Water | 7445 | HOH | O | O28 | A | 501 | 3.85 | H.Bond | A | Water | 7462 | HOH | O | N62 | A | 501 | 3.93 | H.Bond | A | Water | 7483 | HOH | O | C26 | A | 501 | 3.52 | van der Waals | A | Water | 7483 | HOH | O | C27 | A | 501 | 3.89 | van der Waals | A | Water | 7483 | HOH | O | N1A | A | 501 | 3.23 | H.Bond | A | Water | 7483 | HOH | O | C1A | A | 501 | 3.98 | van der Waals | A | Water | 7494 | HOH | O | N29 | A | 501 | 3.88 | H.Bond | A | Water | 7497 | HOH | O | N1A | A | 501 | 2.75 | H.Bond | A | Water | 7497 | HOH | O | C1A | A | 501 | 3.59 | van der Waals | A | Water | 7503 | HOH | O | O5 | A | 501 | 2.94 | H.Bond | A | Water | 7503 | HOH | O | C3R | A | 501 | 3.58 | van der Waals | A | Water | 7528 | HOH | O | N29 | A | 501 | 3.51 | H.Bond | A | Water | 7528 | HOH | O | C60 | A | 501 | 3.57 | van der Waals | A | Water | 7528 | HOH | O | C61 | A | 501 | 3.62 | van der Waals | A | Water | 7528 | HOH | O | N62 | A | 501 | 3.52 | H.Bond | A | Water | 7550 | HOH | O | C26 | A | 501 | 3.78 | van der Waals | A | Water | 7550 | HOH | O | N29 | A | 501 | 3.74 | H.Bond | A | Water | 7550 | HOH | O | C60 | A | 501 | 3.75 | van der Waals | |