| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C6_S1 |
| Complex: ADP_D_4(2DTH) / Model_51(2DTH/B) = [4.0]
| Download | 802.53 | 5.50 | MQTLLKLLQDGRFHSGEELGAVLGISRSAVWKRLQHLEAEHGLQFHKVRGRGYRLASPLSLLDPRKIDSLWPVEIMPTVDSTNSEAMRRLAAGASTPFVIVAEQQTAGRGRRGRAWVSPYGENLYYSLAITVRGGARELEGLSLVVGLAVLRALESLGVQDTGLKWPNDLLQGGKKIAGILLELSGDPADLCHVVIGIGINVNMKTATDIGQPWTSLREALGELVDRSRLLSALNRQLADYLDRHSREGFAASREEWESCNLWQGAQVILSTALSSIEGRVLGVDSRGALRLEVDGVEQGFSGGELSLRLRQ |
| Complex: ADN_B_8(2EJG) / Model_64(2EJG/B) = [4.1]
| Download | 658.02 | 24.94 | MQTLLKLLQDGRFHSGEELGAVLGISRSAVWKRLQHLEAEHGLQFHKVRGRGYRLASPLSLLDPRKIDSLWPVEIMPTVDSTNSEAMRRLAAGASTPFVIVAEQQTAGRGRRGRAWVSPYGENLYYSLAITVRGGARELEGLSLVVGLAVLRALESLGVQDTGLKWPNDLLQGGKKIAGILLELSGDPADLCHVVIGIGINVNMKTATDIGQPWTSLREALGELVDRSRLLSALNRQLADYLDRHSREGFAASREEWESCNLWQGAQVILSTALSSIEGRVLGVDSRGALRLEVDGVEQGFSGGELSLRLRQ |
| Complex: ADN_B_9(2EJF) / Model_77(2EJF/B) = [4.1]
| Download | 595.12 | 14.18 | MQTLLKLLQDGRFHSGEELGAVLGISRSAVWKRLQHLEAEHGLQFHKVRGRGYRLASPLSLLDPRKIDSLWPVEIMPTVDSTNSEAMRRLAAGASTPFVIVAEQQTAGRGRRGRAWVSPYGENLYYSLAITVRGGARELEGLSLVVGLAVLRALESLGVQDTGLKWPNDLLQGGKKIAGILLELSGDPADLCHVVIGIGINVNMKTATDIGQPWTSLREALGELVDRSRLLSALNRQLADYLDRHSREGFAASREEWESCNLWQGAQVILSTALSSIEGRVLGVDSRGALRLEVDGVEQGFSGGELSLRLRQ |
| Complex: BTN_B_2(1BIB) / Model_4(1BIB/A) = [4.1]
| Download | 677.75 | 3.33 | MQTLLKLLQDGRFHSGEELGAVLGISRSAVWKRLQHLEAEHGLQFHKVRGRGYRLASPLSLLDPRKIDSLWPVEIMPTVDSTNSEAMRRLAAGASTPFVIVAEQQTAGRGRRGRAWVSPYGENLYYSLAITVRGGARELEGLSLVVGLAVLRALESLGVQDTGLKWPNDLLQGGKKIAGILLELSGDPADLCHVVIGIGINVNMKTATDIGQPWTSLREALGELVDRSRLLSALNRQLADYLDRHSREGFAASREEWESCNLWQGAQVILSTALSSIEGRVLGVDSRGALRLEVDGVEQGFSGGELSLRLRQ |
| Complex: ADP_C_3(2DTH) / Model_52(2DTH/A) = [4.3]
| Download | 763.99 | 15.20 | MQTLLKLLQDGRFHSGEELGAVLGISRSAVWKRLQHLEAEHGLQFHKVRGRGYRLASPLSLLDPRKIDSLWPVEIMPTVDSTNSEAMRRLAAGASTPFVIVAEQQTAGRGRRGRAWVSPYGENLYYSLAITVRGGARELEGLSLVVGLAVLRALESLGVQDTGLKWPNDLLQGGKKIAGILLELSGDPADLCHVVIGIGINVNMKTATDIGQPWTSLREALGELVDRSRLLSALNRQLADYLDRHSREGFAASREEWESCNLWQGAQVILSTALSSIEGRVLGVDSRGALRLEVDGVEQGFSGGELSLRLRQ |
Consensus
[pKd Mean = 4.12] | - | 699
(s=74) | 12
(s=7) | MQTLLKLLQDGRFHSGEELGAVLGISRSAVWKRLQHLEAEHGLQFHKVRGRGYRLASPLSLLDPRKIDSLWPVEIMPTVDSTNSEAMRRLAAGASTPFVIVAEQQTAGRGRRGRAWVSPYGENLYYSLAITVRGGARELEGLSLVVGLAVLRALESLGVQDTGLKWPNDLLQGGKKIAGILLELSGDPADLCHVVIGIGINVNMKTATDIGQPWTSLREALGELVDRSRLLSALNRQLADYLDRHSREGFAASREEWESCNLWQGAQVILSTALSSIEGRVLGVDSRGALRLEVDGVEQGFSGGELSLRLRQ |