| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C6_S1 |
| Complex: EDO_C_26(3R9B) / Model_62(3R9B/C) = [3.1]
| Download | 564.62 | -14.57 | MNVLNRRQALQRALLNGKNKQDAYHPFPWYESMRKDAPVSFDEENQVWSVFLYDDVKKVVGDKELFSSCMPQQTSSIGNSIINMDPPKHTKIRSVVNKAFTPRVMKQWEPRIQEITDELIQKFQGRSEFDLVHDFSYPLPVIVISELLGVPSAHMEQFKAWSDLLVSTPKDKSEEAEKAFLEERDKCEEELAAFFAGIIEEKRNKPEQDIISILVEAEETGEKLSGEELIPFCTLLLVAGNETTTNLISNAMYSILETPGVYEELRSHPELMPQAVEEALRFRAPAPVLRRIAKRDTEIGGHLIKEGDMVLAFVASANRDEAKFDRPHMFDIRRHPNPHIAFGHGIHFCLGAPLARLEANIALTSLISAFPHMECVSITPIENSVIYGLKSFRVKM |
| Complex: GOL_A_8(3MGX) / Model_129(3MGX/A) = [3.2]
| Download | 605.72 | 21.67 | MNVLNRRQALQRALLNGKNKQDAYHPFPWYESMRKDAPVSFDEENQVWSVFLYDDVKKVVGDKELFSSCMPQQTSSIGNSIINMDPPKHTKIRSVVNKAFTPRVMKQWEPRIQEITDELIQKFQGRSEFDLVHDFSYPLPVIVISELLGVPSAHMEQFKAWSDLLVSTPKDKSEEAEKAFLEERDKCEEELAAFFAGIIEEKRNKPEQDIISILVEAEETGEKLSGEELIPFCTLLLVAGNETTTNLISNAMYSILETPGVYEELRSHPELMPQAVEEALRFRAPAPVLRRIAKRDTEIGGHLIKEGDMVLAFVASANRDEAKFDRPHMFDIRRHPNPHIAFGHGIHFCLGAPLARLEANIALTSLISAFPHMECVSITPIENSVIYGLKSFRVKM |
| Complex: D12_A_14(3R9B) / Model_64(3R9B/A) = [3.6]
| Download | 1288.27 | 33.54 | MNVLNRRQALQRALLNGKNKQDAYHPFPWYESMRKDAPVSFDEENQVWSVFLYDDVKKVVGDKELFSSCMPQQTSSIGNSIINMDPPKHTKIRSVVNKAFTPRVMKQWEPRIQEITDELIQKFQGRSEFDLVHDFSYPLPVIVISELLGVPSAHMEQFKAWSDLLVSTPKDKSEEAEKAFLEERDKCEEELAAFFAGIIEEKRNKPEQDIISILVEAEETGEKLSGEELIPFCTLLLVAGNETTTNLISNAMYSILETPGVYEELRSHPELMPQAVEEALRFRAPAPVLRRIAKRDTEIGGHLIKEGDMVLAFVASANRDEAKFDRPHMFDIRRHPNPHIAFGHGIHFCLGAPLARLEANIALTSLISAFPHMECVSITPIENSVIYGLKSFRVKM |
| Complex: CL6_A_3(2XFH) / Model_67(2XFH/A) = [4.2]
| Download | 1601.55 | 26.42 | MNVLNRRQALQRALLNGKNKQDAYHPFPWYESMRKDAPVSFDEENQVWSVFLYDDVKKVVGDKELFSSCMPQQTSSIGNSIINMDPPKHTKIRSVVNKAFTPRVMKQWEPRIQEITDELIQKFQGRSEFDLVHDFSYPLPVIVISELLGVPSAHMEQFKAWSDLLVSTPKDKSEEAEKAFLEERDKCEEELAAFFAGIIEEKRNKPEQDIISILVEAEETGEKLSGEELIPFCTLLLVAGNETTTNLISNAMYSILETPGVYEELRSHPELMPQAVEEALRFRAPAPVLRRIAKRDTEIGGHLIKEGDMVLAFVASANRDEAKFDRPHMFDIRRHPNPHIAFGHGIHFCLGAPLARLEANIALTSLISAFPHMECVSITPIENSVIYGLKSFRVKM |
| Complex: ECL_A_3(3R9C) / Model_61(3R9C/A) = [4.3]
| Download | 1543.60 | 29.64 | MNVLNRRQALQRALLNGKNKQDAYHPFPWYESMRKDAPVSFDEENQVWSVFLYDDVKKVVGDKELFSSCMPQQTSSIGNSIINMDPPKHTKIRSVVNKAFTPRVMKQWEPRIQEITDELIQKFQGRSEFDLVHDFSYPLPVIVISELLGVPSAHMEQFKAWSDLLVSTPKDKSEEAEKAFLEERDKCEEELAAFFAGIIEEKRNKPEQDIISILVEAEETGEKLSGEELIPFCTLLLVAGNETTTNLISNAMYSILETPGVYEELRSHPELMPQAVEEALRFRAPAPVLRRIAKRDTEIGGHLIKEGDMVLAFVASANRDEAKFDRPHMFDIRRHPNPHIAFGHGIHFCLGAPLARLEANIALTSLISAFPHMECVSITPIENSVIYGLKSFRVKM |
Consensus
[pKd Mean = 3.68] | - | 1120
(s=450) | 19
(s=17) | MNVLNRRQALQRALLNGKNKQDAYHPFPWYESMRKDAPVSFDEENQVWSVFLYDDVKKVVGDKELFSSCMPQQTSSIGNSIINMDPPKHTKIRSVVNKAFTPRVMKQWEPRIQEITDELIQKFQGRSEFDLVHDFSYPLPVIVISELLGVPSAHMEQFKAWSDLLVSTPKDKSEEAEKAFLEERDKCEEELAAFFAGIIEEKRNKPEQDIISILVEAEETGEKLSGEELIPFCTLLLVAGNETTTNLISNAMYSILETPGVYEELRSHPELMPQAVEEALRFRAPAPVLRRIAKRDTEIGGHLIKEGDMVLAFVASANRDEAKFDRPHMFDIRRHPNPHIAFGHGIHFCLGAPLARLEANIALTSLISAFPHMECVSITPIENSVIYGLKSFRVKM |