Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
Complex: GOL_A_2(4FVP) / Model_13(4FVP/A) = [3.9]
| Download | 271.76 | 66.91 | MAPPSEETPLIPQRSCSLSSSEAGALHVLLPPRGPGPPQRLSFSFGDYLAEDLCVRAAKACGILPVYHSLFALATEDFSCWFPPSHIFCIEDVDTQVLVYRLRFYFPDWFGLETCHRFGLRKDLTSAILDLHVLEHLFAQHRSDLVSGRLPVGLSMKEQGEFLSLAVLDLAQMAREQAQRPGELLKTVSYKACLPPSLRDVIQGQNFVTRRRIRRTVVLALRRVVACQADRYALMAKYILDLERLHPAATTETFRVGLPGAQEEPGLLRVAGDNGISWSSGDQELFQTFCDFPEIVDVSIKQAPRVGPAGEHRLVTVTRMDGHILEAEFPGLPEALSFVALVDGYFRLICDSRHYFCKEVAPPRLLEEEAELCHGPITLDFAIHKLKAAGSLPGTYILRRSPQDYDSFLLTACVQTPLGPDYKGCLIRQDPSGAFSLVGLSQPHRSLRELLAACWNSGLRVDGAALNLTSCCAPRPKEKSNLIVVRRGCTPAPAPGCSPSCCALTQLSFHTIPTDSLEWHENLGHGSFTKIFRGRRREVVDGETHDSEVLLKVMDSRHRNCMESFLEAASLMSQVSYPHLVLLHGVCMAGDSIMVQEFVYLGAIDMYLRKRGHLVSASWKLQVTKQLAYALNYLEDKGLPHGNVSARKVLLAREGGDGNPPFIKLSDPGVSPTVLSLEMLTDRIPWVAPECLQEAQTLCLEADKWGFGATTWEVFSGGPAHITSLEPAKKLKFYEDQGQLPALKWTELAGLITQCMAYDPGRRPSFRAILRDLNGLITSDYELLSDPTPGIPSPRDELCGGAQLYACQDPAIFEERHLKYISLLGKGNFGSVELCRYDPLGDNTGPLVAVKQLQHSGPDQQRDFQREIQILKALHSDFIVKYRGVSYGPGRQSLRLVMEYLPSGCLRDFLQRHRARLHTDRLLLFAWQICKGMEYLGARRCVHRDLAARNILVESEAHVKIADFGLAKLLPLGKDYYVVREPGQSPIFWYAPESLSDNIFSRQSDVWSFGVVLYELFTYCDKSCSPSAEFLRMMGPEREGPPLCRLLELLAEGRRLPPPPTCPTEVQELMQLCWAPSPHDRPAFGTLSPQLDALWRGRPG |
Complex: 19R_A_2(4HVH) / Model_5(4HVH/A) = [5.7]
| Download | 810.47 | 24.78 | MAPPSEETPLIPQRSCSLSSSEAGALHVLLPPRGPGPPQRLSFSFGDYLAEDLCVRAAKACGILPVYHSLFALATEDFSCWFPPSHIFCIEDVDTQVLVYRLRFYFPDWFGLETCHRFGLRKDLTSAILDLHVLEHLFAQHRSDLVSGRLPVGLSMKEQGEFLSLAVLDLAQMAREQAQRPGELLKTVSYKACLPPSLRDVIQGQNFVTRRRIRRTVVLALRRVVACQADRYALMAKYILDLERLHPAATTETFRVGLPGAQEEPGLLRVAGDNGISWSSGDQELFQTFCDFPEIVDVSIKQAPRVGPAGEHRLVTVTRMDGHILEAEFPGLPEALSFVALVDGYFRLICDSRHYFCKEVAPPRLLEEEAELCHGPITLDFAIHKLKAAGSLPGTYILRRSPQDYDSFLLTACVQTPLGPDYKGCLIRQDPSGAFSLVGLSQPHRSLRELLAACWNSGLRVDGAALNLTSCCAPRPKEKSNLIVVRRGCTPAPAPGCSPSCCALTQLSFHTIPTDSLEWHENLGHGSFTKIFRGRRREVVDGETHDSEVLLKVMDSRHRNCMESFLEAASLMSQVSYPHLVLLHGVCMAGDSIMVQEFVYLGAIDMYLRKRGHLVSASWKLQVTKQLAYALNYLEDKGLPHGNVSARKVLLAREGGDGNPPFIKLSDPGVSPTVLSLEMLTDRIPWVAPECLQEAQTLCLEADKWGFGATTWEVFSGGPAHITSLEPAKKLKFYEDQGQLPALKWTELAGLITQCMAYDPGRRPSFRAILRDLNGLITSDYELLSDPTPGIPSPRDELCGGAQLYACQDPAIFEERHLKYISLLGKGNFGSVELCRYDPLGDNTGPLVAVKQLQHSGPDQQRDFQREIQILKALHSDFIVKYRGVSYGPGRQSLRLVMEYLPSGCLRDFLQRHRARLHTDRLLLFAWQICKGMEYLGARRCVHRDLAARNILVESEAHVKIADFGLAKLLPLGKDYYVVREPGQSPIFWYAPESLSDNIFSRQSDVWSFGVVLYELFTYCDKSCSPSAEFLRMMGPEREGPPLCRLLELLAEGRRLPPPPTCPTEVQELMQLCWAPSPHDRPAFGTLSPQLDALWRGRPG |
Complex: 19Q_A_2(4HVG) / Model_4(4HVG/A) = [5.8]
| Download | 746.35 | 26.35 | MAPPSEETPLIPQRSCSLSSSEAGALHVLLPPRGPGPPQRLSFSFGDYLAEDLCVRAAKACGILPVYHSLFALATEDFSCWFPPSHIFCIEDVDTQVLVYRLRFYFPDWFGLETCHRFGLRKDLTSAILDLHVLEHLFAQHRSDLVSGRLPVGLSMKEQGEFLSLAVLDLAQMAREQAQRPGELLKTVSYKACLPPSLRDVIQGQNFVTRRRIRRTVVLALRRVVACQADRYALMAKYILDLERLHPAATTETFRVGLPGAQEEPGLLRVAGDNGISWSSGDQELFQTFCDFPEIVDVSIKQAPRVGPAGEHRLVTVTRMDGHILEAEFPGLPEALSFVALVDGYFRLICDSRHYFCKEVAPPRLLEEEAELCHGPITLDFAIHKLKAAGSLPGTYILRRSPQDYDSFLLTACVQTPLGPDYKGCLIRQDPSGAFSLVGLSQPHRSLRELLAACWNSGLRVDGAALNLTSCCAPRPKEKSNLIVVRRGCTPAPAPGCSPSCCALTQLSFHTIPTDSLEWHENLGHGSFTKIFRGRRREVVDGETHDSEVLLKVMDSRHRNCMESFLEAASLMSQVSYPHLVLLHGVCMAGDSIMVQEFVYLGAIDMYLRKRGHLVSASWKLQVTKQLAYALNYLEDKGLPHGNVSARKVLLAREGGDGNPPFIKLSDPGVSPTVLSLEMLTDRIPWVAPECLQEAQTLCLEADKWGFGATTWEVFSGGPAHITSLEPAKKLKFYEDQGQLPALKWTELAGLITQCMAYDPGRRPSFRAILRDLNGLITSDYELLSDPTPGIPSPRDELCGGAQLYACQDPAIFEERHLKYISLLGKGNFGSVELCRYDPLGDNTGPLVAVKQLQHSGPDQQRDFQREIQILKALHSDFIVKYRGVSYGPGRQSLRLVMEYLPSGCLRDFLQRHRARLHTDRLLLFAWQICKGMEYLGARRCVHRDLAARNILVESEAHVKIADFGLAKLLPLGKDYYVVREPGQSPIFWYAPESLSDNIFSRQSDVWSFGVVLYELFTYCDKSCSPSAEFLRMMGPEREGPPLCRLLELLAEGRRLPPPPTCPTEVQELMQLCWAPSPHDRPAFGTLSPQLDALWRGRPG |
Complex: 0XH_A_2(4GJ2) / Model_17(4GJ2/A) = [5.9]
| Download | 891.48 | 29.88 | MAPPSEETPLIPQRSCSLSSSEAGALHVLLPPRGPGPPQRLSFSFGDYLAEDLCVRAAKACGILPVYHSLFALATEDFSCWFPPSHIFCIEDVDTQVLVYRLRFYFPDWFGLETCHRFGLRKDLTSAILDLHVLEHLFAQHRSDLVSGRLPVGLSMKEQGEFLSLAVLDLAQMAREQAQRPGELLKTVSYKACLPPSLRDVIQGQNFVTRRRIRRTVVLALRRVVACQADRYALMAKYILDLERLHPAATTETFRVGLPGAQEEPGLLRVAGDNGISWSSGDQELFQTFCDFPEIVDVSIKQAPRVGPAGEHRLVTVTRMDGHILEAEFPGLPEALSFVALVDGYFRLICDSRHYFCKEVAPPRLLEEEAELCHGPITLDFAIHKLKAAGSLPGTYILRRSPQDYDSFLLTACVQTPLGPDYKGCLIRQDPSGAFSLVGLSQPHRSLRELLAACWNSGLRVDGAALNLTSCCAPRPKEKSNLIVVRRGCTPAPAPGCSPSCCALTQLSFHTIPTDSLEWHENLGHGSFTKIFRGRRREVVDGETHDSEVLLKVMDSRHRNCMESFLEAASLMSQVSYPHLVLLHGVCMAGDSIMVQEFVYLGAIDMYLRKRGHLVSASWKLQVTKQLAYALNYLEDKGLPHGNVSARKVLLAREGGDGNPPFIKLSDPGVSPTVLSLEMLTDRIPWVAPECLQEAQTLCLEADKWGFGATTWEVFSGGPAHITSLEPAKKLKFYEDQGQLPALKWTELAGLITQCMAYDPGRRPSFRAILRDLNGLITSDYELLSDPTPGIPSPRDELCGGAQLYACQDPAIFEERHLKYISLLGKGNFGSVELCRYDPLGDNTGPLVAVKQLQHSGPDQQRDFQREIQILKALHSDFIVKYRGVSYGPGRQSLRLVMEYLPSGCLRDFLQRHRARLHTDRLLLFAWQICKGMEYLGARRCVHRDLAARNILVESEAHVKIADFGLAKLLPLGKDYYVVREPGQSPIFWYAPESLSDNIFSRQSDVWSFGVVLYELFTYCDKSCSPSAEFLRMMGPEREGPPLCRLLELLAEGRRLPPPPTCPTEVQELMQLCWAPSPHDRPAFGTLSPQLDALWRGRPG |
Complex: 0X5_A_2(4GIH) / Model_19(4GIH/A) = [5.9]
| Download | 833.06 | 29.21 | MAPPSEETPLIPQRSCSLSSSEAGALHVLLPPRGPGPPQRLSFSFGDYLAEDLCVRAAKACGILPVYHSLFALATEDFSCWFPPSHIFCIEDVDTQVLVYRLRFYFPDWFGLETCHRFGLRKDLTSAILDLHVLEHLFAQHRSDLVSGRLPVGLSMKEQGEFLSLAVLDLAQMAREQAQRPGELLKTVSYKACLPPSLRDVIQGQNFVTRRRIRRTVVLALRRVVACQADRYALMAKYILDLERLHPAATTETFRVGLPGAQEEPGLLRVAGDNGISWSSGDQELFQTFCDFPEIVDVSIKQAPRVGPAGEHRLVTVTRMDGHILEAEFPGLPEALSFVALVDGYFRLICDSRHYFCKEVAPPRLLEEEAELCHGPITLDFAIHKLKAAGSLPGTYILRRSPQDYDSFLLTACVQTPLGPDYKGCLIRQDPSGAFSLVGLSQPHRSLRELLAACWNSGLRVDGAALNLTSCCAPRPKEKSNLIVVRRGCTPAPAPGCSPSCCALTQLSFHTIPTDSLEWHENLGHGSFTKIFRGRRREVVDGETHDSEVLLKVMDSRHRNCMESFLEAASLMSQVSYPHLVLLHGVCMAGDSIMVQEFVYLGAIDMYLRKRGHLVSASWKLQVTKQLAYALNYLEDKGLPHGNVSARKVLLAREGGDGNPPFIKLSDPGVSPTVLSLEMLTDRIPWVAPECLQEAQTLCLEADKWGFGATTWEVFSGGPAHITSLEPAKKLKFYEDQGQLPALKWTELAGLITQCMAYDPGRRPSFRAILRDLNGLITSDYELLSDPTPGIPSPRDELCGGAQLYACQDPAIFEERHLKYISLLGKGNFGSVELCRYDPLGDNTGPLVAVKQLQHSGPDQQRDFQREIQILKALHSDFIVKYRGVSYGPGRQSLRLVMEYLPSGCLRDFLQRHRARLHTDRLLLFAWQICKGMEYLGARRCVHRDLAARNILVESEAHVKIADFGLAKLLPLGKDYYVVREPGQSPIFWYAPESLSDNIFSRQSDVWSFGVVLYELFTYCDKSCSPSAEFLRMMGPEREGPPLCRLLELLAEGRRLPPPPTCPTEVQELMQLCWAPSPHDRPAFGTLSPQLDALWRGRPG |
Consensus [pKd Mean = 5.44] | - | 710 (s=224) | 35 (s=15) | MAPPSEETPLIPQRSCSLSSSEAGALHVLLPPRGPGPPQRLSFSFGDYLAEDLCVRAAKACGILPVYHSLFALATEDFSCWFPPSHIFCIEDVDTQVLVYRLRFYFPDWFGLETCHRFGLRKDLTSAILDLHVLEHLFAQHRSDLVSGRLPVGLSMKEQGEFLSLAVLDLAQMAREQAQRPGELLKTVSYKACLPPSLRDVIQGQNFVTRRRIRRTVVLALRRVVACQADRYALMAKYILDLERLHPAATTETFRVGLPGAQEEPGLLRVAGDNGISWSSGDQELFQTFCDFPEIVDVSIKQAPRVGPAGEHRLVTVTRMDGHILEAEFPGLPEALSFVALVDGYFRLICDSRHYFCKEVAPPRLLEEEAELCHGPITLDFAIHKLKAAGSLPGTYILRRSPQDYDSFLLTACVQTPLGPDYKGCLIRQDPSGAFSLVGLSQPHRSLRELLAACWNSGLRVDGAALNLTSCCAPRPKEKSNLIVVRRGCTPAPAPGCSPSCCALTQLSFHTIPTDSLEWHENLGHGSFTKIFRGRRREVVDGETHDSEVLLKVMDSRHRNCMESFLEAASLMSQVSYPHLVLLHGVCMAGDSIMVQEFVYLGAIDMYLRKRGHLVSASWKLQVTKQLAYALNYLEDKGLPHGNVSARKVLLAREGGDGNPPFIKLSDPGVSPTVLSLEMLTDRIPWVAPECLQEAQTLCLEADKWGFGATTWEVFSGGPAHITSLEPAKKLKFYEDQGQLPALKWTELAGLITQCMAYDPGRRPSFRAILRDLNGLITSDYELLSDPTPGIPSPRDELCGGAQLYACQDPAIFEERHLKYISLLGKGNFGSVELCRYDPLGDNTGPLVAVKQLQHSGPDQQRDFQREIQILKALHSDFIVKYRGVSYGPGRQSLRLVMEYLPSGCLRDFLQRHRARLHTDRLLLFAWQICKGMEYLGARRCVHRDLAARNILVESEAHVKIADFGLAKLLPLGKDYYVVREPGQSPIFWYAPESLSDNIFSRQSDVWSFGVVLYELFTYCDKSCSPSAEFLRMMGPEREGPPLCRLLELLAEGRRLPPPPTCPTEVQELMQLCWAPSPHDRPAFGTLSPQLDALWRGRPG |