| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: HA3_A_4(2VQM) / Model_2(4LY1/C) = [3.1]
| Download | 838.31 | 10.29 | MALSALRKRVAYFYDPDIGSYYYGPGHPMKPQRIRMAHALVLSYDLYKHMEVYRPHKSIEPELCLFHSSDYISFLSSVSPENYKEFSLQLKNFNVGEATDCPVFDGLFTFQQACAGASIDAAKKLNHHQADICVNWSGGLHHAKRSEASGFCYINDIVLGILELLKYHARVMYIDIDIHHGDGVEEAFYVSHRVMTVSFHKFGDFFPGTGDVTDVGASQGKYYAVNVPLNDGMDDDSFVALFKPVITKCVDVYRPGAIVLQCGADSLTGDRLGKFNLTIKGHAACVAFVKSLDIPLLVLGGGGYTIRNVARCWAYETGVVLDRHREMSPHVPLNDYYDYYAPDFQLHLTPSSIPNSNSPEHLEKIKTRVLSNLSYLEHAPGVQFAYVPPDFFGEDNDDEDEFMQNQVDNEGGGRAAGATAHTAANAPYRIRRKDYANDFEDMADRDQKVPI |
| Complex: EDO_A_11(5VI6) / Model_4(5VI6/A) = [3.1]
| Download | 435.91 | 20.67 | MALSALRKRVAYFYDPDIGSYYYGPGHPMKPQRIRMAHALVLSYDLYKHMEVYRPHKSIEPELCLFHSSDYISFLSSVSPENYKEFSLQLKNFNVGEATDCPVFDGLFTFQQACAGASIDAAKKLNHHQADICVNWSGGLHHAKRSEASGFCYINDIVLGILELLKYHARVMYIDIDIHHGDGVEEAFYVSHRVMTVSFHKFGDFFPGTGDVTDVGASQGKYYAVNVPLNDGMDDDSFVALFKPVITKCVDVYRPGAIVLQCGADSLTGDRLGKFNLTIKGHAACVAFVKSLDIPLLVLGGGGYTIRNVARCWAYETGVVLDRHREMSPHVPLNDYYDYYAPDFQLHLTPSSIPNSNSPEHLEKIKTRVLSNLSYLEHAPGVQFAYVPPDFFGEDNDDEDEFMQNQVDNEGGGRAAGATAHTAANAPYRIRRKDYANDFEDMADRDQKVPI |
| Complex: SHH_A_3(1T69) / Model_39(1T64/A) = [3.2]
| Download | 1110.28 | 12.85 | MALSALRKRVAYFYDPDIGSYYYGPGHPMKPQRIRMAHALVLSYDLYKHMEVYRPHKSIEPELCLFHSSDYISFLSSVSPENYKEFSLQLKNFNVGEATDCPVFDGLFTFQQACAGASIDAAKKLNHHQADICVNWSGGLHHAKRSEASGFCYINDIVLGILELLKYHARVMYIDIDIHHGDGVEEAFYVSHRVMTVSFHKFGDFFPGTGDVTDVGASQGKYYAVNVPLNDGMDDDSFVALFKPVITKCVDVYRPGAIVLQCGADSLTGDRLGKFNLTIKGHAACVAFVKSLDIPLLVLGGGGYTIRNVARCWAYETGVVLDRHREMSPHVPLNDYYDYYAPDFQLHLTPSSIPNSNSPEHLEKIKTRVLSNLSYLEHAPGVQFAYVPPDFFGEDNDDEDEFMQNQVDNEGGGRAAGATAHTAANAPYRIRRKDYANDFEDMADRDQKVPI |
| Complex: SHH_A_3(1T69) / Model_40(1T69/A) = [3.2]
| Download | 835.29 | 19.10 | MALSALRKRVAYFYDPDIGSYYYGPGHPMKPQRIRMAHALVLSYDLYKHMEVYRPHKSIEPELCLFHSSDYISFLSSVSPENYKEFSLQLKNFNVGEATDCPVFDGLFTFQQACAGASIDAAKKLNHHQADICVNWSGGLHHAKRSEASGFCYINDIVLGILELLKYHARVMYIDIDIHHGDGVEEAFYVSHRVMTVSFHKFGDFFPGTGDVTDVGASQGKYYAVNVPLNDGMDDDSFVALFKPVITKCVDVYRPGAIVLQCGADSLTGDRLGKFNLTIKGHAACVAFVKSLDIPLLVLGGGGYTIRNVARCWAYETGVVLDRHREMSPHVPLNDYYDYYAPDFQLHLTPSSIPNSNSPEHLEKIKTRVLSNLSYLEHAPGVQFAYVPPDFFGEDNDDEDEFMQNQVDNEGGGRAAGATAHTAANAPYRIRRKDYANDFEDMADRDQKVPI |
| Complex: TSN_A_5(1C3R) / Model_40(1T69/A) = [3.3]
| Download | 875.27 | 19.43 | MALSALRKRVAYFYDPDIGSYYYGPGHPMKPQRIRMAHALVLSYDLYKHMEVYRPHKSIEPELCLFHSSDYISFLSSVSPENYKEFSLQLKNFNVGEATDCPVFDGLFTFQQACAGASIDAAKKLNHHQADICVNWSGGLHHAKRSEASGFCYINDIVLGILELLKYHARVMYIDIDIHHGDGVEEAFYVSHRVMTVSFHKFGDFFPGTGDVTDVGASQGKYYAVNVPLNDGMDDDSFVALFKPVITKCVDVYRPGAIVLQCGADSLTGDRLGKFNLTIKGHAACVAFVKSLDIPLLVLGGGGYTIRNVARCWAYETGVVLDRHREMSPHVPLNDYYDYYAPDFQLHLTPSSIPNSNSPEHLEKIKTRVLSNLSYLEHAPGVQFAYVPPDFFGEDNDDEDEFMQNQVDNEGGGRAAGATAHTAANAPYRIRRKDYANDFEDMADRDQKVPI |
Consensus
[pKd Mean = 3.18] | - | 819
(s=216) | 16
(s=4) | MALSALRKRVAYFYDPDIGSYYYGPGHPMKPQRIRMAHALVLSYDLYKHMEVYRPHKSIEPELCLFHSSDYISFLSSVSPENYKEFSLQLKNFNVGEATDCPVFDGLFTFQQACAGASIDAAKKLNHHQADICVNWSGGLHHAKRSEASGFCYINDIVLGILELLKYHARVMYIDIDIHHGDGVEEAFYVSHRVMTVSFHKFGDFFPGTGDVTDVGASQGKYYAVNVPLNDGMDDDSFVALFKPVITKCVDVYRPGAIVLQCGADSLTGDRLGKFNLTIKGHAACVAFVKSLDIPLLVLGGGGYTIRNVARCWAYETGVVLDRHREMSPHVPLNDYYDYYAPDFQLHLTPSSIPNSNSPEHLEKIKTRVLSNLSYLEHAPGVQFAYVPPDFFGEDNDDEDEFMQNQVDNEGGGRAAGATAHTAANAPYRIRRKDYANDFEDMADRDQKVPI |