| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C6_S1 |
| Complex: KAN_A_9(1ND4) / Model_2(1ND4/A) = [3.8]
| Download | 1754.75 | -0.25 | MCGMTSLVDTALRLTYPDYRWRRLEAARPILGVRTYALTGRYRLVVKIALEEDLIDEDHGPCGEARRLAWLAGHGIPVPEVVDTGVMGDDEYLVLRLPDDAVPADQVASEQRLAACDAVADVARAVHGIDHRGCPFDRRLRVTIPRAKEACLFAEIRSRDPMAKLTSLIAKALWVGREEPVVCHGDLRPDSVLIDARTRRVAAVLDVARLGVADRYTDLAAATRGWRAGGLDKRVWWRYGEIPADADRVRLYRLLAEFCLPRPGTGRVEPRQDGGDVRRCGFVRQLGHGVPGDPTVFHQRRGLVVLETFTRQVRGGGVDTGQEIGFGGFEHLALPAHRHRHVDGTRRPLARGQAGFLGQFAPGGLRGRLTGFDAAAGRLPQQVGVDGVTPAQHQDPVVGVQAQHAGTLTIDFGHDAQVMARRRGGALAWAPGCPCHRVRCGSC |
| Complex: KAN_A_9(1ND4) / Model_24(1ND4/A) = [4.0]
| Download | 1896.21 | -3.82 | MCGMTSLVDTALRLTYPDYRWRRLEAARPILGVRTYALTGRYRLVVKIALEEDLIDEDHGPCGEARRLAWLAGHGIPVPEVVDTGVMGDDEYLVLRLPDDAVPADQVASEQRLAACDAVADVARAVHGIDHRGCPFDRRLRVTIPRAKEACLFAEIRSRDPMAKLTSLIAKALWVGREEPVVCHGDLRPDSVLIDARTRRVAAVLDVARLGVADRYTDLAAATRGWRAGGLDKRVWWRYGEIPADADRVRLYRLLAEFCLPRPGTGRVEPRQDGGDVRRCGFVRQLGHGVPGDPTVFHQRRGLVVLETFTRQVRGGGVDTGQEIGFGGFEHLALPAHRHRHVDGTRRPLARGQAGFLGQFAPGGLRGRLTGFDAAAGRLPQQVGVDGVTPAQHQDPVVGVQAQHAGTLTIDFGHDAQVMARRRGGALAWAPGCPCHRVRCGSC |
| Complex: B31_A_3(3TM0) / Model_27(3TM0/A) = [4.0]
| Download | 1227.67 | -2.41 | MCGMTSLVDTALRLTYPDYRWRRLEAARPILGVRTYALTGRYRLVVKIALEEDLIDEDHGPCGEARRLAWLAGHGIPVPEVVDTGVMGDDEYLVLRLPDDAVPADQVASEQRLAACDAVADVARAVHGIDHRGCPFDRRLRVTIPRAKEACLFAEIRSRDPMAKLTSLIAKALWVGREEPVVCHGDLRPDSVLIDARTRRVAAVLDVARLGVADRYTDLAAATRGWRAGGLDKRVWWRYGEIPADADRVRLYRLLAEFCLPRPGTGRVEPRQDGGDVRRCGFVRQLGHGVPGDPTVFHQRRGLVVLETFTRQVRGGGVDTGQEIGFGGFEHLALPAHRHRHVDGTRRPLARGQAGFLGQFAPGGLRGRLTGFDAAAGRLPQQVGVDGVTPAQHQDPVVGVQAQHAGTLTIDFGHDAQVMARRRGGALAWAPGCPCHRVRCGSC |
| Complex: KAN_A_9(1ND4) / Model_59(1ND4/A) = [4.0]
| Download | 1324.27 | -19.37 | MCGMTSLVDTALRLTYPDYRWRRLEAARPILGVRTYALTGRYRLVVKIALEEDLIDEDHGPCGEARRLAWLAGHGIPVPEVVDTGVMGDDEYLVLRLPDDAVPADQVASEQRLAACDAVADVARAVHGIDHRGCPFDRRLRVTIPRAKEACLFAEIRSRDPMAKLTSLIAKALWVGREEPVVCHGDLRPDSVLIDARTRRVAAVLDVARLGVADRYTDLAAATRGWRAGGLDKRVWWRYGEIPADADRVRLYRLLAEFCLPRPGTGRVEPRQDGGDVRRCGFVRQLGHGVPGDPTVFHQRRGLVVLETFTRQVRGGGVDTGQEIGFGGFEHLALPAHRHRHVDGTRRPLARGQAGFLGQFAPGGLRGRLTGFDAAAGRLPQQVGVDGVTPAQHQDPVVGVQAQHAGTLTIDFGHDAQVMARRRGGALAWAPGCPCHRVRCGSC |
| Complex: GMP_A_2(5IGI) / Model_36(5IGI/A) = [4.9]
| Download | 1258.67 | 35.17 | MCGMTSLVDTALRLTYPDYRWRRLEAARPILGVRTYALTGRYRLVVKIALEEDLIDEDHGPCGEARRLAWLAGHGIPVPEVVDTGVMGDDEYLVLRLPDDAVPADQVASEQRLAACDAVADVARAVHGIDHRGCPFDRRLRVTIPRAKEACLFAEIRSRDPMAKLTSLIAKALWVGREEPVVCHGDLRPDSVLIDARTRRVAAVLDVARLGVADRYTDLAAATRGWRAGGLDKRVWWRYGEIPADADRVRLYRLLAEFCLPRPGTGRVEPRQDGGDVRRCGFVRQLGHGVPGDPTVFHQRRGLVVLETFTRQVRGGGVDTGQEIGFGGFEHLALPAHRHRHVDGTRRPLARGQAGFLGQFAPGGLRGRLTGFDAAAGRLPQQVGVDGVTPAQHQDPVVGVQAQHAGTLTIDFGHDAQVMARRRGGALAWAPGCPCHRVRCGSC |
Consensus
[pKd Mean = 4.14] | - | 1492
(s=277) | 1
(s=17) | MCGMTSLVDTALRLTYPDYRWRRLEAARPILGVRTYALTGRYRLVVKIALEEDLIDEDHGPCGEARRLAWLAGHGIPVPEVVDTGVMGDDEYLVLRLPDDAVPADQVASEQRLAACDAVADVARAVHGIDHRGCPFDRRLRVTIPRAKEACLFAEIRSRDPMAKLTSLIAKALWVGREEPVVCHGDLRPDSVLIDARTRRVAAVLDVARLGVADRYTDLAAATRGWRAGGLDKRVWWRYGEIPADADRVRLYRLLAEFCLPRPGTGRVEPRQDGGDVRRCGFVRQLGHGVPGDPTVFHQRRGLVVLETFTRQVRGGGVDTGQEIGFGGFEHLALPAHRHRHVDGTRRPLARGQAGFLGQFAPGGLRGRLTGFDAAAGRLPQQVGVDGVTPAQHQDPVVGVQAQHAGTLTIDFGHDAQVMARRRGGALAWAPGCPCHRVRCGSC |