| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: ADP_A_3(4Q47) / Model_4(4Q47/A) = [4.1]
| Download | 1385.77 | 35.95 | MIEQARAILQQNFGYQDFRNGQVDVISKLCAGEDTLAIMPTGGGKSLCYQIPALLFDGLTIVVSPLISLMKDQVDALVSEGIAATFINSTLTNREIDIRLDAAFSGELKMLYIAPERIETPGFQRLIEQVPISLFAIDEAHCISQWGHDFRPSYLTLCDSLDKMTRRPLVIALTATATQAVSDDICRLLKIRADSVVKTGFSRDNLAFQVVKGQDKDKYLIDYLTKNVTESGIIYASTRKEVERLHSFLQKKGVESGMYHGGMTDLARKDWQEKFLYDDIRVIVATNAFGMGINKSNVRFVIHYNIPRNIEAYYQEAGRAGRDGVPSDCILLFSPQDSRIQQFLIEQSEMDDERKQNEFAKLRQMTGYGYTEICLQKYIVQYFGDDEPNCGKCSNCLDTREATDITILAQQVFSCIKRMGERFGKVLIAKVLTGSADQKVKDWRFDELSTYGLMKDASQKDVLQLIDYLTAEKYLQPTDSQFPSLKLTDRAVSVLRGELKVERKQAKRAEKVKIDVNSDLFEKLREVRRELAAKHKVPPYIIFSDETLREMCAYMPQTEDALLEVKGIGAMKRDKYGAEFLAVLQQEASK |
| Complex: ADP_B_5(4Q47) / Model_22(4Q47/B) = [5.7]
| Download | 1320.50 | 26.06 | MIEQARAILQQNFGYQDFRNGQVDVISKLCAGEDTLAIMPTGGGKSLCYQIPALLFDGLTIVVSPLISLMKDQVDALVSEGIAATFINSTLTNREIDIRLDAAFSGELKMLYIAPERIETPGFQRLIEQVPISLFAIDEAHCISQWGHDFRPSYLTLCDSLDKMTRRPLVIALTATATQAVSDDICRLLKIRADSVVKTGFSRDNLAFQVVKGQDKDKYLIDYLTKNVTESGIIYASTRKEVERLHSFLQKKGVESGMYHGGMTDLARKDWQEKFLYDDIRVIVATNAFGMGINKSNVRFVIHYNIPRNIEAYYQEAGRAGRDGVPSDCILLFSPQDSRIQQFLIEQSEMDDERKQNEFAKLRQMTGYGYTEICLQKYIVQYFGDDEPNCGKCSNCLDTREATDITILAQQVFSCIKRMGERFGKVLIAKVLTGSADQKVKDWRFDELSTYGLMKDASQKDVLQLIDYLTAEKYLQPTDSQFPSLKLTDRAVSVLRGELKVERKQAKRAEKVKIDVNSDLFEKLREVRRELAAKHKVPPYIIFSDETLREMCAYMPQTEDALLEVKGIGAMKRDKYGAEFLAVLQQEASK |
| Complex: ADP_B_10(2V1X) / Model_28(2V1X/B) = [6.8]
| Download | 1201.93 | 22.45 | MIEQARAILQQNFGYQDFRNGQVDVISKLCAGEDTLAIMPTGGGKSLCYQIPALLFDGLTIVVSPLISLMKDQVDALVSEGIAATFINSTLTNREIDIRLDAAFSGELKMLYIAPERIETPGFQRLIEQVPISLFAIDEAHCISQWGHDFRPSYLTLCDSLDKMTRRPLVIALTATATQAVSDDICRLLKIRADSVVKTGFSRDNLAFQVVKGQDKDKYLIDYLTKNVTESGIIYASTRKEVERLHSFLQKKGVESGMYHGGMTDLARKDWQEKFLYDDIRVIVATNAFGMGINKSNVRFVIHYNIPRNIEAYYQEAGRAGRDGVPSDCILLFSPQDSRIQQFLIEQSEMDDERKQNEFAKLRQMTGYGYTEICLQKYIVQYFGDDEPNCGKCSNCLDTREATDITILAQQVFSCIKRMGERFGKVLIAKVLTGSADQKVKDWRFDELSTYGLMKDASQKDVLQLIDYLTAEKYLQPTDSQFPSLKLTDRAVSVLRGELKVERKQAKRAEKVKIDVNSDLFEKLREVRRELAAKHKVPPYIIFSDETLREMCAYMPQTEDALLEVKGIGAMKRDKYGAEFLAVLQQEASK |
| Complex: AGS_A_5(1OYY) / Model_1(1OYY/A) = [7.2]
| Download | 1254.05 | 20.15 | MIEQARAILQQNFGYQDFRNGQVDVISKLCAGEDTLAIMPTGGGKSLCYQIPALLFDGLTIVVSPLISLMKDQVDALVSEGIAATFINSTLTNREIDIRLDAAFSGELKMLYIAPERIETPGFQRLIEQVPISLFAIDEAHCISQWGHDFRPSYLTLCDSLDKMTRRPLVIALTATATQAVSDDICRLLKIRADSVVKTGFSRDNLAFQVVKGQDKDKYLIDYLTKNVTESGIIYASTRKEVERLHSFLQKKGVESGMYHGGMTDLARKDWQEKFLYDDIRVIVATNAFGMGINKSNVRFVIHYNIPRNIEAYYQEAGRAGRDGVPSDCILLFSPQDSRIQQFLIEQSEMDDERKQNEFAKLRQMTGYGYTEICLQKYIVQYFGDDEPNCGKCSNCLDTREATDITILAQQVFSCIKRMGERFGKVLIAKVLTGSADQKVKDWRFDELSTYGLMKDASQKDVLQLIDYLTAEKYLQPTDSQFPSLKLTDRAVSVLRGELKVERKQAKRAEKVKIDVNSDLFEKLREVRRELAAKHKVPPYIIFSDETLREMCAYMPQTEDALLEVKGIGAMKRDKYGAEFLAVLQQEASK |
| Complex: ADP_A_3(2V1X) / Model_10(2V1X/A) = [7.3]
| Download | 1285.15 | 19.76 | MIEQARAILQQNFGYQDFRNGQVDVISKLCAGEDTLAIMPTGGGKSLCYQIPALLFDGLTIVVSPLISLMKDQVDALVSEGIAATFINSTLTNREIDIRLDAAFSGELKMLYIAPERIETPGFQRLIEQVPISLFAIDEAHCISQWGHDFRPSYLTLCDSLDKMTRRPLVIALTATATQAVSDDICRLLKIRADSVVKTGFSRDNLAFQVVKGQDKDKYLIDYLTKNVTESGIIYASTRKEVERLHSFLQKKGVESGMYHGGMTDLARKDWQEKFLYDDIRVIVATNAFGMGINKSNVRFVIHYNIPRNIEAYYQEAGRAGRDGVPSDCILLFSPQDSRIQQFLIEQSEMDDERKQNEFAKLRQMTGYGYTEICLQKYIVQYFGDDEPNCGKCSNCLDTREATDITILAQQVFSCIKRMGERFGKVLIAKVLTGSADQKVKDWRFDELSTYGLMKDASQKDVLQLIDYLTAEKYLQPTDSQFPSLKLTDRAVSVLRGELKVERKQAKRAEKVKIDVNSDLFEKLREVRRELAAKHKVPPYIIFSDETLREMCAYMPQTEDALLEVKGIGAMKRDKYGAEFLAVLQQEASK |
Consensus
[pKd Mean = 6.22] | - | 1289
(s=61) | 24
(s=6) | MIEQARAILQQNFGYQDFRNGQVDVISKLCAGEDTLAIMPTGGGKSLCYQIPALLFDGLTIVVSPLISLMKDQVDALVSEGIAATFINSTLTNREIDIRLDAAFSGELKMLYIAPERIETPGFQRLIEQVPISLFAIDEAHCISQWGHDFRPSYLTLCDSLDKMTRRPLVIALTATATQAVSDDICRLLKIRADSVVKTGFSRDNLAFQVVKGQDKDKYLIDYLTKNVTESGIIYASTRKEVERLHSFLQKKGVESGMYHGGMTDLARKDWQEKFLYDDIRVIVATNAFGMGINKSNVRFVIHYNIPRNIEAYYQEAGRAGRDGVPSDCILLFSPQDSRIQQFLIEQSEMDDERKQNEFAKLRQMTGYGYTEICLQKYIVQYFGDDEPNCGKCSNCLDTREATDITILAQQVFSCIKRMGERFGKVLIAKVLTGSADQKVKDWRFDELSTYGLMKDASQKDVLQLIDYLTAEKYLQPTDSQFPSLKLTDRAVSVLRGELKVERKQAKRAEKVKIDVNSDLFEKLREVRRELAAKHKVPPYIIFSDETLREMCAYMPQTEDALLEVKGIGAMKRDKYGAEFLAVLQQEASK |