| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: ADP_A_11(1NVF) / Model_13(1NVF/A) = [3.7]
| Download | 1178.83 | 20.36 | MKLQTTYPSNNYPIFVEHGAIDHISTYIDQFDQSFILIDEHVNQYFADKFDDILSYENVHKVIIPAGEKTKTFEQYQETLEYILSHHVTRNTAIIAVGGGATGDFAGFVAATLLRGVHFIQVPTTILAHDSSVGGKVGINSKQGKNLIGAFYRPTAVIYDLDFLKTLPFEQILSGYAEVYKHALLNGESTTQEIEQHFKDREILQSLNGMDKYIAKGIETKLDIVVADEKEQGVRKFLNLGHTFGHAVEYNHKIAHGHAVMIGIIYQFIVANILFNSNHDIQHYINYLTKLGYPLETITDIDFETIYQYMLSDKKNDKQGVQMVLIKHFGDIVVQHIDQTTLQHACEQLKTYFK |
| Complex: ADP_B_7(1NVA) / Model_33(1NVA/B) = [3.7]
| Download | 1454.31 | 18.04 | MKLQTTYPSNNYPIFVEHGAIDHISTYIDQFDQSFILIDEHVNQYFADKFDDILSYENVHKVIIPAGEKTKTFEQYQETLEYILSHHVTRNTAIIAVGGGATGDFAGFVAATLLRGVHFIQVPTTILAHDSSVGGKVGINSKQGKNLIGAFYRPTAVIYDLDFLKTLPFEQILSGYAEVYKHALLNGESTTQEIEQHFKDREILQSLNGMDKYIAKGIETKLDIVVADEKEQGVRKFLNLGHTFGHAVEYNHKIAHGHAVMIGIIYQFIVANILFNSNHDIQHYINYLTKLGYPLETITDIDFETIYQYMLSDKKNDKQGVQMVLIKHFGDIVVQHIDQTTLQHACEQLKTYFK |
| Complex: ADP_B_12(1NVF) / Model_29(1NVF/B) = [3.9]
| Download | 1430.19 | 21.42 | MKLQTTYPSNNYPIFVEHGAIDHISTYIDQFDQSFILIDEHVNQYFADKFDDILSYENVHKVIIPAGEKTKTFEQYQETLEYILSHHVTRNTAIIAVGGGATGDFAGFVAATLLRGVHFIQVPTTILAHDSSVGGKVGINSKQGKNLIGAFYRPTAVIYDLDFLKTLPFEQILSGYAEVYKHALLNGESTTQEIEQHFKDREILQSLNGMDKYIAKGIETKLDIVVADEKEQGVRKFLNLGHTFGHAVEYNHKIAHGHAVMIGIIYQFIVANILFNSNHDIQHYINYLTKLGYPLETITDIDFETIYQYMLSDKKNDKQGVQMVLIKHFGDIVVQHIDQTTLQHACEQLKTYFK |
| Complex: ADP_C_13(1NVF) / Model_28(1NVF/C) = [4.0]
| Download | 1409.64 | 22.56 | MKLQTTYPSNNYPIFVEHGAIDHISTYIDQFDQSFILIDEHVNQYFADKFDDILSYENVHKVIIPAGEKTKTFEQYQETLEYILSHHVTRNTAIIAVGGGATGDFAGFVAATLLRGVHFIQVPTTILAHDSSVGGKVGINSKQGKNLIGAFYRPTAVIYDLDFLKTLPFEQILSGYAEVYKHALLNGESTTQEIEQHFKDREILQSLNGMDKYIAKGIETKLDIVVADEKEQGVRKFLNLGHTFGHAVEYNHKIAHGHAVMIGIIYQFIVANILFNSNHDIQHYINYLTKLGYPLETITDIDFETIYQYMLSDKKNDKQGVQMVLIKHFGDIVVQHIDQTTLQHACEQLKTYFK |
| Complex: ADP_A_6(1NVA) / Model_10(1NVA/A) = [4.2]
| Download | 1363.12 | 22.15 | MKLQTTYPSNNYPIFVEHGAIDHISTYIDQFDQSFILIDEHVNQYFADKFDDILSYENVHKVIIPAGEKTKTFEQYQETLEYILSHHVTRNTAIIAVGGGATGDFAGFVAATLLRGVHFIQVPTTILAHDSSVGGKVGINSKQGKNLIGAFYRPTAVIYDLDFLKTLPFEQILSGYAEVYKHALLNGESTTQEIEQHFKDREILQSLNGMDKYIAKGIETKLDIVVADEKEQGVRKFLNLGHTFGHAVEYNHKIAHGHAVMIGIIYQFIVANILFNSNHDIQHYINYLTKLGYPLETITDIDFETIYQYMLSDKKNDKQGVQMVLIKHFGDIVVQHIDQTTLQHACEQLKTYFK |
Consensus
[pKd Mean = 3.90] | - | 1367
(s=98) | 20
(s=1) | MKLQTTYPSNNYPIFVEHGAIDHISTYIDQFDQSFILIDEHVNQYFADKFDDILSYENVHKVIIPAGEKTKTFEQYQETLEYILSHHVTRNTAIIAVGGGATGDFAGFVAATLLRGVHFIQVPTTILAHDSSVGGKVGINSKQGKNLIGAFYRPTAVIYDLDFLKTLPFEQILSGYAEVYKHALLNGESTTQEIEQHFKDREILQSLNGMDKYIAKGIETKLDIVVADEKEQGVRKFLNLGHTFGHAVEYNHKIAHGHAVMIGIIYQFIVANILFNSNHDIQHYINYLTKLGYPLETITDIDFETIYQYMLSDKKNDKQGVQMVLIKHFGDIVVQHIDQTTLQHACEQLKTYFK |