| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C5_S1 |
| Complex: NACID_H_8(3RAE) / Model_25(3RAE/B) = [3.1]
| Download | - | - | MSQPELFHDLPLEEVIGDRFGRYSKYIIQDRALPDARDGLKPVQRRILYAMHTDGNTFDKNFRKAAKTVGNVIGNYHPHGDSSVYEAMVRMSQDWKVRNVLIEMHGNNGSIDGDPPAAMRYTEARLSPIASELLRDIDKNTVEFVPNFDDTSKEPVVLPAMFPNLLVNGSTGISAGYATDIPPHHLGEVIDAVIKRIQMPSCSVDELMEVIKGPDFPTGGIIQGVDGIRKAYETGKGKIIIRGKAEIETIRGGREQIVITEIPFEVNKANLVKKMDEFRIDKKVEGISEVRDETDRTGLRVVIELKKEADAKGILNFLYKNTDLQITYNFNMVAIHNRRPMLMSLPSILDAYIGHQKEVVTNRSVYELQKAKDRHHIVEGLMKALSILDEVIATIRSSSDKRDAKNNLIAKYEFTEPQAEAIVSLQLYRLTNTDITALKEEAEELGKKIEELESILSNDKKLLKVITNSLKALKKKYADTRRSVIEEKIEEIKINLEVMVASEDVYVTVTKDGYLKRTSQRSFAASNGQDFGMKDTDRMLHQFEMNTTDVLLLFTNKGSYIYCPVHQLPDIRWKDMGQHFSNLITIDRDETIVKAIPIKEFDPSAYLLFFTKNGMVKKTELTHYKAQRYSKALVALNLKGEDELIDVHVTNGESQIFMATHLGYGLWFGEDEVNVVGARAAGVKGINLKEDDFVVSGEILQQSDSIVLFTQRGAVKRMSLSEFEKTSRAKRGVVMLRELKKNPHRVVALFACGLEQRLMAETEKGDRKELQTKELRTNDRYSNGSFFFDEEESGKVTAVWRLHTEQ |
| Complex: NACID_F_4(5BS3) / Model_19(5BS3/B) = [3.1]
| Download | - | - | MSQPELFHDLPLEEVIGDRFGRYSKYIIQDRALPDARDGLKPVQRRILYAMHTDGNTFDKNFRKAAKTVGNVIGNYHPHGDSSVYEAMVRMSQDWKVRNVLIEMHGNNGSIDGDPPAAMRYTEARLSPIASELLRDIDKNTVEFVPNFDDTSKEPVVLPAMFPNLLVNGSTGISAGYATDIPPHHLGEVIDAVIKRIQMPSCSVDELMEVIKGPDFPTGGIIQGVDGIRKAYETGKGKIIIRGKAEIETIRGGREQIVITEIPFEVNKANLVKKMDEFRIDKKVEGISEVRDETDRTGLRVVIELKKEADAKGILNFLYKNTDLQITYNFNMVAIHNRRPMLMSLPSILDAYIGHQKEVVTNRSVYELQKAKDRHHIVEGLMKALSILDEVIATIRSSSDKRDAKNNLIAKYEFTEPQAEAIVSLQLYRLTNTDITALKEEAEELGKKIEELESILSNDKKLLKVITNSLKALKKKYADTRRSVIEEKIEEIKINLEVMVASEDVYVTVTKDGYLKRTSQRSFAASNGQDFGMKDTDRMLHQFEMNTTDVLLLFTNKGSYIYCPVHQLPDIRWKDMGQHFSNLITIDRDETIVKAIPIKEFDPSAYLLFFTKNGMVKKTELTHYKAQRYSKALVALNLKGEDELIDVHVTNGESQIFMATHLGYGLWFGEDEVNVVGARAAGVKGINLKEDDFVVSGEILQQSDSIVLFTQRGAVKRMSLSEFEKTSRAKRGVVMLRELKKNPHRVVALFACGLEQRLMAETEKGDRKELQTKELRTNDRYSNGSFFFDEEESGKVTAVWRLHTEQ |
| Complex: NACID_E_5(3KSB) / Model_28(3KSB/B) = [3.1]
| Download | - | - | MSQPELFHDLPLEEVIGDRFGRYSKYIIQDRALPDARDGLKPVQRRILYAMHTDGNTFDKNFRKAAKTVGNVIGNYHPHGDSSVYEAMVRMSQDWKVRNVLIEMHGNNGSIDGDPPAAMRYTEARLSPIASELLRDIDKNTVEFVPNFDDTSKEPVVLPAMFPNLLVNGSTGISAGYATDIPPHHLGEVIDAVIKRIQMPSCSVDELMEVIKGPDFPTGGIIQGVDGIRKAYETGKGKIIIRGKAEIETIRGGREQIVITEIPFEVNKANLVKKMDEFRIDKKVEGISEVRDETDRTGLRVVIELKKEADAKGILNFLYKNTDLQITYNFNMVAIHNRRPMLMSLPSILDAYIGHQKEVVTNRSVYELQKAKDRHHIVEGLMKALSILDEVIATIRSSSDKRDAKNNLIAKYEFTEPQAEAIVSLQLYRLTNTDITALKEEAEELGKKIEELESILSNDKKLLKVITNSLKALKKKYADTRRSVIEEKIEEIKINLEVMVASEDVYVTVTKDGYLKRTSQRSFAASNGQDFGMKDTDRMLHQFEMNTTDVLLLFTNKGSYIYCPVHQLPDIRWKDMGQHFSNLITIDRDETIVKAIPIKEFDPSAYLLFFTKNGMVKKTELTHYKAQRYSKALVALNLKGEDELIDVHVTNGESQIFMATHLGYGLWFGEDEVNVVGARAAGVKGINLKEDDFVVSGEILQQSDSIVLFTQRGAVKRMSLSEFEKTSRAKRGVVMLRELKKNPHRVVALFACGLEQRLMAETEKGDRKELQTKELRTNDRYSNGSFFFDEEESGKVTAVWRLHTEQ |
| Complex: NACID_F_4(2XCS) / Model_15(2XCS/B) = [3.3]
| Download | - | - | MSQPELFHDLPLEEVIGDRFGRYSKYIIQDRALPDARDGLKPVQRRILYAMHTDGNTFDKNFRKAAKTVGNVIGNYHPHGDSSVYEAMVRMSQDWKVRNVLIEMHGNNGSIDGDPPAAMRYTEARLSPIASELLRDIDKNTVEFVPNFDDTSKEPVVLPAMFPNLLVNGSTGISAGYATDIPPHHLGEVIDAVIKRIQMPSCSVDELMEVIKGPDFPTGGIIQGVDGIRKAYETGKGKIIIRGKAEIETIRGGREQIVITEIPFEVNKANLVKKMDEFRIDKKVEGISEVRDETDRTGLRVVIELKKEADAKGILNFLYKNTDLQITYNFNMVAIHNRRPMLMSLPSILDAYIGHQKEVVTNRSVYELQKAKDRHHIVEGLMKALSILDEVIATIRSSSDKRDAKNNLIAKYEFTEPQAEAIVSLQLYRLTNTDITALKEEAEELGKKIEELESILSNDKKLLKVITNSLKALKKKYADTRRSVIEEKIEEIKINLEVMVASEDVYVTVTKDGYLKRTSQRSFAASNGQDFGMKDTDRMLHQFEMNTTDVLLLFTNKGSYIYCPVHQLPDIRWKDMGQHFSNLITIDRDETIVKAIPIKEFDPSAYLLFFTKNGMVKKTELTHYKAQRYSKALVALNLKGEDELIDVHVTNGESQIFMATHLGYGLWFGEDEVNVVGARAAGVKGINLKEDDFVVSGEILQQSDSIVLFTQRGAVKRMSLSEFEKTSRAKRGVVMLRELKKNPHRVVALFACGLEQRLMAETEKGDRKELQTKELRTNDRYSNGSFFFDEEESGKVTAVWRLHTEQ |
| Complex: NACID_G_6(5CDR) / Model_14(5CDR/A) = [3.4]
| Download | - | - | MSQPELFHDLPLEEVIGDRFGRYSKYIIQDRALPDARDGLKPVQRRILYAMHTDGNTFDKNFRKAAKTVGNVIGNYHPHGDSSVYEAMVRMSQDWKVRNVLIEMHGNNGSIDGDPPAAMRYTEARLSPIASELLRDIDKNTVEFVPNFDDTSKEPVVLPAMFPNLLVNGSTGISAGYATDIPPHHLGEVIDAVIKRIQMPSCSVDELMEVIKGPDFPTGGIIQGVDGIRKAYETGKGKIIIRGKAEIETIRGGREQIVITEIPFEVNKANLVKKMDEFRIDKKVEGISEVRDETDRTGLRVVIELKKEADAKGILNFLYKNTDLQITYNFNMVAIHNRRPMLMSLPSILDAYIGHQKEVVTNRSVYELQKAKDRHHIVEGLMKALSILDEVIATIRSSSDKRDAKNNLIAKYEFTEPQAEAIVSLQLYRLTNTDITALKEEAEELGKKIEELESILSNDKKLLKVITNSLKALKKKYADTRRSVIEEKIEEIKINLEVMVASEDVYVTVTKDGYLKRTSQRSFAASNGQDFGMKDTDRMLHQFEMNTTDVLLLFTNKGSYIYCPVHQLPDIRWKDMGQHFSNLITIDRDETIVKAIPIKEFDPSAYLLFFTKNGMVKKTELTHYKAQRYSKALVALNLKGEDELIDVHVTNGESQIFMATHLGYGLWFGEDEVNVVGARAAGVKGINLKEDDFVVSGEILQQSDSIVLFTQRGAVKRMSLSEFEKTSRAKRGVVMLRELKKNPHRVVALFACGLEQRLMAETEKGDRKELQTKELRTNDRYSNGSFFFDEEESGKVTAVWRLHTEQ |
Consensus
[pKd Mean = 3.20] | - | 0
(s=0) | 0
(s=0) | MSQPELFHDLPLEEVIGDRFGRYSKYIIQDRALPDARDGLKPVQRRILYAMHTDGNTFDKNFRKAAKTVGNVIGNYHPHGDSSVYEAMVRMSQDWKVRNVLIEMHGNNGSIDGDPPAAMRYTEARLSPIASELLRDIDKNTVEFVPNFDDTSKEPVVLPAMFPNLLVNGSTGISAGYATDIPPHHLGEVIDAVIKRIQMPSCSVDELMEVIKGPDFPTGGIIQGVDGIRKAYETGKGKIIIRGKAEIETIRGGREQIVITEIPFEVNKANLVKKMDEFRIDKKVEGISEVRDETDRTGLRVVIELKKEADAKGILNFLYKNTDLQITYNFNMVAIHNRRPMLMSLPSILDAYIGHQKEVVTNRSVYELQKAKDRHHIVEGLMKALSILDEVIATIRSSSDKRDAKNNLIAKYEFTEPQAEAIVSLQLYRLTNTDITALKEEAEELGKKIEELESILSNDKKLLKVITNSLKALKKKYADTRRSVIEEKIEEIKINLEVMVASEDVYVTVTKDGYLKRTSQRSFAASNGQDFGMKDTDRMLHQFEMNTTDVLLLFTNKGSYIYCPVHQLPDIRWKDMGQHFSNLITIDRDETIVKAIPIKEFDPSAYLLFFTKNGMVKKTELTHYKAQRYSKALVALNLKGEDELIDVHVTNGESQIFMATHLGYGLWFGEDEVNVVGARAAGVKGINLKEDDFVVSGEILQQSDSIVLFTQRGAVKRMSLSEFEKTSRAKRGVVMLRELKKNPHRVVALFACGLEQRLMAETEKGDRKELQTKELRTNDRYSNGSFFFDEEESGKVTAVWRLHTEQ |