| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: ASP_A_3(4O2D) / Model_1(4O2D/A) = [3.4]
| Download | 18269.62 | 26.11 | MNYYKTHTCNELRKNDVEKEVTLSGWMYRKRDHGNLIFVDLRDFYGITQLVFNNDKDFFCKISDLKPESVITVTGIVKARTEDTINISISTGEIEVTVNNLQIESEVEFHHNEETAKEERSILASIADDQEYPENMRFKYRFLDLRREKVRNNIVLRSQIIAELRKFMIEQGFLEIQTPILTASSPEGARDYLVPSRLNPGKFYALPQAPQIFKQLLMISGFDKYFQIAPCFRDEDARADRSPGEFYQLDLEMSFVTQEDVFQVIESTLYKVFAKFSRKSVDKGFSRITYKEAMLKYGSDKPDLRNPLLISDVTEIFRDSEFNIFKSNIERGMVVRAIPAPKTAEEPRSFFDKKIEHTQKEFGAKGLGYITFNKDGTAKGPIAKFLDDNRLNHIREATNIKPGDSVFFASDKENEAATIAGKVRTLLGSELGLIDNNIFKFCWVVDFPYFVYDDKSKKIDFFHNPFSMPHGGLKDLEEKNPLDILAYQYDLVCNGIELSSGAIRNNKLDIMYKAFATAGYNKEEVNKKFGALVRAFRFGVPPHGGIAPGIDRIVMLLADAPNIREITCFPMNQQGEDVLMDAPSKVDNKHLRELSLKVVE |
| Complex: ASP_B_6(4O2D) / Model_21(4O2D/B) = [3.6]
| Download | 19333.10 | 27.05 | MNYYKTHTCNELRKNDVEKEVTLSGWMYRKRDHGNLIFVDLRDFYGITQLVFNNDKDFFCKISDLKPESVITVTGIVKARTEDTINISISTGEIEVTVNNLQIESEVEFHHNEETAKEERSILASIADDQEYPENMRFKYRFLDLRREKVRNNIVLRSQIIAELRKFMIEQGFLEIQTPILTASSPEGARDYLVPSRLNPGKFYALPQAPQIFKQLLMISGFDKYFQIAPCFRDEDARADRSPGEFYQLDLEMSFVTQEDVFQVIESTLYKVFAKFSRKSVDKGFSRITYKEAMLKYGSDKPDLRNPLLISDVTEIFRDSEFNIFKSNIERGMVVRAIPAPKTAEEPRSFFDKKIEHTQKEFGAKGLGYITFNKDGTAKGPIAKFLDDNRLNHIREATNIKPGDSVFFASDKENEAATIAGKVRTLLGSELGLIDNNIFKFCWVVDFPYFVYDDKSKKIDFFHNPFSMPHGGLKDLEEKNPLDILAYQYDLVCNGIELSSGAIRNNKLDIMYKAFATAGYNKEEVNKKFGALVRAFRFGVPPHGGIAPGIDRIVMLLADAPNIREITCFPMNQQGEDVLMDAPSKVDNKHLRELSLKVVE |
| Complex: ASP_A_3(4WJ4) / Model_7(4WJ4/A) = [3.7]
| Download | 17638.04 | 26.47 | MNYYKTHTCNELRKNDVEKEVTLSGWMYRKRDHGNLIFVDLRDFYGITQLVFNNDKDFFCKISDLKPESVITVTGIVKARTEDTINISISTGEIEVTVNNLQIESEVEFHHNEETAKEERSILASIADDQEYPENMRFKYRFLDLRREKVRNNIVLRSQIIAELRKFMIEQGFLEIQTPILTASSPEGARDYLVPSRLNPGKFYALPQAPQIFKQLLMISGFDKYFQIAPCFRDEDARADRSPGEFYQLDLEMSFVTQEDVFQVIESTLYKVFAKFSRKSVDKGFSRITYKEAMLKYGSDKPDLRNPLLISDVTEIFRDSEFNIFKSNIERGMVVRAIPAPKTAEEPRSFFDKKIEHTQKEFGAKGLGYITFNKDGTAKGPIAKFLDDNRLNHIREATNIKPGDSVFFASDKENEAATIAGKVRTLLGSELGLIDNNIFKFCWVVDFPYFVYDDKSKKIDFFHNPFSMPHGGLKDLEEKNPLDILAYQYDLVCNGIELSSGAIRNNKLDIMYKAFATAGYNKEEVNKKFGALVRAFRFGVPPHGGIAPGIDRIVMLLADAPNIREITCFPMNQQGEDVLMDAPSKVDNKHLRELSLKVVE |
| Complex: FMT_A_3(4RMF) / Model_2(4RMF/A) = [4.0]
| Download | 82.12 | 12.25 | MNYYKTHTCNELRKNDVEKEVTLSGWMYRKRDHGNLIFVDLRDFYGITQLVFNNDKDFFCKISDLKPESVITVTGIVKARTEDTINISISTGEIEVTVNNLQIESEVEFHHNEETAKEERSILASIADDQEYPENMRFKYRFLDLRREKVRNNIVLRSQIIAELRKFMIEQGFLEIQTPILTASSPEGARDYLVPSRLNPGKFYALPQAPQIFKQLLMISGFDKYFQIAPCFRDEDARADRSPGEFYQLDLEMSFVTQEDVFQVIESTLYKVFAKFSRKSVDKGFSRITYKEAMLKYGSDKPDLRNPLLISDVTEIFRDSEFNIFKSNIERGMVVRAIPAPKTAEEPRSFFDKKIEHTQKEFGAKGLGYITFNKDGTAKGPIAKFLDDNRLNHIREATNIKPGDSVFFASDKENEAATIAGKVRTLLGSELGLIDNNIFKFCWVVDFPYFVYDDKSKKIDFFHNPFSMPHGGLKDLEEKNPLDILAYQYDLVCNGIELSSGAIRNNKLDIMYKAFATAGYNKEEVNKKFGALVRAFRFGVPPHGGIAPGIDRIVMLLADAPNIREITCFPMNQQGEDVLMDAPSKVDNKHLRELSLKVVE |
| Complex: AMO_E_5(1G51) / Model_9(1G51/A) = [7.5]
| Download | 765.26 | 6.31 | MNYYKTHTCNELRKNDVEKEVTLSGWMYRKRDHGNLIFVDLRDFYGITQLVFNNDKDFFCKISDLKPESVITVTGIVKARTEDTINISISTGEIEVTVNNLQIESEVEFHHNEETAKEERSILASIADDQEYPENMRFKYRFLDLRREKVRNNIVLRSQIIAELRKFMIEQGFLEIQTPILTASSPEGARDYLVPSRLNPGKFYALPQAPQIFKQLLMISGFDKYFQIAPCFRDEDARADRSPGEFYQLDLEMSFVTQEDVFQVIESTLYKVFAKFSRKSVDKGFSRITYKEAMLKYGSDKPDLRNPLLISDVTEIFRDSEFNIFKSNIERGMVVRAIPAPKTAEEPRSFFDKKIEHTQKEFGAKGLGYITFNKDGTAKGPIAKFLDDNRLNHIREATNIKPGDSVFFASDKENEAATIAGKVRTLLGSELGLIDNNIFKFCWVVDFPYFVYDDKSKKIDFFHNPFSMPHGGLKDLEEKNPLDILAYQYDLVCNGIELSSGAIRNNKLDIMYKAFATAGYNKEEVNKKFGALVRAFRFGVPPHGGIAPGIDRIVMLLADAPNIREITCFPMNQQGEDVLMDAPSKVDNKHLRELSLKVVE |
Consensus
[pKd Mean = 4.44] | - | 11217
(s=8832) | 19
(s=8) | MNYYKTHTCNELRKNDVEKEVTLSGWMYRKRDHGNLIFVDLRDFYGITQLVFNNDKDFFCKISDLKPESVITVTGIVKARTEDTINISISTGEIEVTVNNLQIESEVEFHHNEETAKEERSILASIADDQEYPENMRFKYRFLDLRREKVRNNIVLRSQIIAELRKFMIEQGFLEIQTPILTASSPEGARDYLVPSRLNPGKFYALPQAPQIFKQLLMISGFDKYFQIAPCFRDEDARADRSPGEFYQLDLEMSFVTQEDVFQVIESTLYKVFAKFSRKSVDKGFSRITYKEAMLKYGSDKPDLRNPLLISDVTEIFRDSEFNIFKSNIERGMVVRAIPAPKTAEEPRSFFDKKIEHTQKEFGAKGLGYITFNKDGTAKGPIAKFLDDNRLNHIREATNIKPGDSVFFASDKENEAATIAGKVRTLLGSELGLIDNNIFKFCWVVDFPYFVYDDKSKKIDFFHNPFSMPHGGLKDLEEKNPLDILAYQYDLVCNGIELSSGAIRNNKLDIMYKAFATAGYNKEEVNKKFGALVRAFRFGVPPHGGIAPGIDRIVMLLADAPNIREITCFPMNQQGEDVLMDAPSKVDNKHLRELSLKVVE |