| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: ADP_A_3(2CGJ) / Model_1(2CGJ/A) = [5.0]
| Download | 1466.17 | 21.16 | VKHYVAVDIGASSGRLILGKLVNEKLQLEEIHRFKNGFTYRDGHERWEIDQLMQEIFIGLEKVKQLGISECVLGIDTWGVDYVLIGASGEKLADPISYRDKRTLNAVQNLTSEYPREYIYKKTGIQFMELNTLYQLYVEERDLLERAEKILLIPDYIGYVLTGVKVAETTNSSTTQMLNLREQLFDKDLLSHLNIDVEKFAPLTDAGTYLGEVKEDWLKMYDIPNCDVVTVATHDTASAVVGTPAEGENWAFLSSGTWSLIGMELSAPINNEVAFKENYTNEWGAYGTYRFLKNIMGLWIVQEIARMDDYKHSFAEMAEEAGNYPYFKQIINVNDARFNNPENMVDEIRLYCRETGQTVPETIGELTNCVYGSLALYYALELEKMTEITGKKIEKLYIVGGGSNVAMLNQLTAKLAGIEVFAGPSEATAIGNLVVQMINQGEIESMRAGRKIIRNSFEIGEFSCGDVRFEEIKERFTKVLEFN |
| Complex: ADP_A_3(2CGL) / Model_4(2CGL/A) = [5.6]
| Download | 1355.33 | 21.84 | VKHYVAVDIGASSGRLILGKLVNEKLQLEEIHRFKNGFTYRDGHERWEIDQLMQEIFIGLEKVKQLGISECVLGIDTWGVDYVLIGASGEKLADPISYRDKRTLNAVQNLTSEYPREYIYKKTGIQFMELNTLYQLYVEERDLLERAEKILLIPDYIGYVLTGVKVAETTNSSTTQMLNLREQLFDKDLLSHLNIDVEKFAPLTDAGTYLGEVKEDWLKMYDIPNCDVVTVATHDTASAVVGTPAEGENWAFLSSGTWSLIGMELSAPINNEVAFKENYTNEWGAYGTYRFLKNIMGLWIVQEIARMDDYKHSFAEMAEEAGNYPYFKQIINVNDARFNNPENMVDEIRLYCRETGQTVPETIGELTNCVYGSLALYYALELEKMTEITGKKIEKLYIVGGGSNVAMLNQLTAKLAGIEVFAGPSEATAIGNLVVQMINQGEIESMRAGRKIIRNSFEIGEFSCGDVRFEEIKERFTKVLEFN |
| Complex: ADP_A_3(2UYT) / Model_42(2UYT/A) = [6.2]
| Download | 1530.70 | 20.39 | VKHYVAVDIGASSGRLILGKLVNEKLQLEEIHRFKNGFTYRDGHERWEIDQLMQEIFIGLEKVKQLGISECVLGIDTWGVDYVLIGASGEKLADPISYRDKRTLNAVQNLTSEYPREYIYKKTGIQFMELNTLYQLYVEERDLLERAEKILLIPDYIGYVLTGVKVAETTNSSTTQMLNLREQLFDKDLLSHLNIDVEKFAPLTDAGTYLGEVKEDWLKMYDIPNCDVVTVATHDTASAVVGTPAEGENWAFLSSGTWSLIGMELSAPINNEVAFKENYTNEWGAYGTYRFLKNIMGLWIVQEIARMDDYKHSFAEMAEEAGNYPYFKQIINVNDARFNNPENMVDEIRLYCRETGQTVPETIGELTNCVYGSLALYYALELEKMTEITGKKIEKLYIVGGGSNVAMLNQLTAKLAGIEVFAGPSEATAIGNLVVQMINQGEIESMRAGRKIIRNSFEIGEFSCGDVRFEEIKERFTKVLEFN |
| Complex: ADP_A_3(2UYT) / Model_25(2UYT/A) = [6.3]
| Download | 1170.88 | 22.60 | VKHYVAVDIGASSGRLILGKLVNEKLQLEEIHRFKNGFTYRDGHERWEIDQLMQEIFIGLEKVKQLGISECVLGIDTWGVDYVLIGASGEKLADPISYRDKRTLNAVQNLTSEYPREYIYKKTGIQFMELNTLYQLYVEERDLLERAEKILLIPDYIGYVLTGVKVAETTNSSTTQMLNLREQLFDKDLLSHLNIDVEKFAPLTDAGTYLGEVKEDWLKMYDIPNCDVVTVATHDTASAVVGTPAEGENWAFLSSGTWSLIGMELSAPINNEVAFKENYTNEWGAYGTYRFLKNIMGLWIVQEIARMDDYKHSFAEMAEEAGNYPYFKQIINVNDARFNNPENMVDEIRLYCRETGQTVPETIGELTNCVYGSLALYYALELEKMTEITGKKIEKLYIVGGGSNVAMLNQLTAKLAGIEVFAGPSEATAIGNLVVQMINQGEIESMRAGRKIIRNSFEIGEFSCGDVRFEEIKERFTKVLEFN |
| Complex: ADP_A_3(2UYT) / Model_3(2UYT/A) = [6.4]
| Download | 1406.58 | 20.03 | VKHYVAVDIGASSGRLILGKLVNEKLQLEEIHRFKNGFTYRDGHERWEIDQLMQEIFIGLEKVKQLGISECVLGIDTWGVDYVLIGASGEKLADPISYRDKRTLNAVQNLTSEYPREYIYKKTGIQFMELNTLYQLYVEERDLLERAEKILLIPDYIGYVLTGVKVAETTNSSTTQMLNLREQLFDKDLLSHLNIDVEKFAPLTDAGTYLGEVKEDWLKMYDIPNCDVVTVATHDTASAVVGTPAEGENWAFLSSGTWSLIGMELSAPINNEVAFKENYTNEWGAYGTYRFLKNIMGLWIVQEIARMDDYKHSFAEMAEEAGNYPYFKQIINVNDARFNNPENMVDEIRLYCRETGQTVPETIGELTNCVYGSLALYYALELEKMTEITGKKIEKLYIVGGGSNVAMLNQLTAKLAGIEVFAGPSEATAIGNLVVQMINQGEIESMRAGRKIIRNSFEIGEFSCGDVRFEEIKERFTKVLEFN |
Consensus
[pKd Mean = 5.90] | - | 1385
(s=122) | 21
(s=0) | VKHYVAVDIGASSGRLILGKLVNEKLQLEEIHRFKNGFTYRDGHERWEIDQLMQEIFIGLEKVKQLGISECVLGIDTWGVDYVLIGASGEKLADPISYRDKRTLNAVQNLTSEYPREYIYKKTGIQFMELNTLYQLYVEERDLLERAEKILLIPDYIGYVLTGVKVAETTNSSTTQMLNLREQLFDKDLLSHLNIDVEKFAPLTDAGTYLGEVKEDWLKMYDIPNCDVVTVATHDTASAVVGTPAEGENWAFLSSGTWSLIGMELSAPINNEVAFKENYTNEWGAYGTYRFLKNIMGLWIVQEIARMDDYKHSFAEMAEEAGNYPYFKQIINVNDARFNNPENMVDEIRLYCRETGQTVPETIGELTNCVYGSLALYYALELEKMTEITGKKIEKLYIVGGGSNVAMLNQLTAKLAGIEVFAGPSEATAIGNLVVQMINQGEIESMRAGRKIIRNSFEIGEFSCGDVRFEEIKERFTKVLEFN |