| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: ATP_A_5(2HS0) / Model_2(2HS0/A) = [4.4]
| Download | 1544.51 | 10.87 | MSLLLEPSKEQIKEEKLYQQMGVSDDEFALIESILGRLPNYTEIGIFSVMWSEHCSYKNSKPILRKFPTSGERVLQGPGEGAGIVDIGDNQAVVFKIESHNHPSALEPYQGAATGVGGIIRDVFSMGARPIAVLNSLRFGELTSPRVKYLFEEVVAGIAGYGNCIGIPTVGGEVQFDSSYEGNPLVNAMCVGLINHEDIKKGQAKGVGNTVMYVGAKTGRDGIHGATFASEEMSDSSEEKRSAVQVGDPFMEKLLLEACLEVIQCDALVGIQDMGAAGLTSSSAEMASKAGSGIEMNLDLIPQRETGMTAYEMMLSESQERMLLVIERGREQEIIDIFDKYDLEAVSVGHVTDDKMLRLTHKGEVVCELPVDALAEEAPVYHKPSQEPAYYREFLETDVPAPQIEDANEMLKALLQQPTIASKEWVYDQYDYMVRTNTVVAPGSDAGVLRIRGTKKALAMTTDCNARYLYLDPEVGGKIAVAEAARNIICSGAEPLAVTDNLNFGNPEKPEIFWQIEKAADGISEACNVLSTPVIGGNVSLYNESNGTAIYPTPVIGMVGLIEDTAHITTQHFKQAGDLVYVIGETKPEFAGSELQKMTEGRIYGKAPQIDLDVELSRQKALLDAIKKGFVQSAHDVSEGGLGVAIAESVMTTENLGANVTVEGEAALLFSESQSRFVVSVKKEHQAAFEATVKDAVHIGEVTADGILAIQNQDGQQMIHAQTKELERVWKGAIPCLLKSKA |
| Complex: ACP_A_6(2HS4) / Model_4(2HS4/A) = [4.6]
| Download | 1527.89 | 13.09 | MSLLLEPSKEQIKEEKLYQQMGVSDDEFALIESILGRLPNYTEIGIFSVMWSEHCSYKNSKPILRKFPTSGERVLQGPGEGAGIVDIGDNQAVVFKIESHNHPSALEPYQGAATGVGGIIRDVFSMGARPIAVLNSLRFGELTSPRVKYLFEEVVAGIAGYGNCIGIPTVGGEVQFDSSYEGNPLVNAMCVGLINHEDIKKGQAKGVGNTVMYVGAKTGRDGIHGATFASEEMSDSSEEKRSAVQVGDPFMEKLLLEACLEVIQCDALVGIQDMGAAGLTSSSAEMASKAGSGIEMNLDLIPQRETGMTAYEMMLSESQERMLLVIERGREQEIIDIFDKYDLEAVSVGHVTDDKMLRLTHKGEVVCELPVDALAEEAPVYHKPSQEPAYYREFLETDVPAPQIEDANEMLKALLQQPTIASKEWVYDQYDYMVRTNTVVAPGSDAGVLRIRGTKKALAMTTDCNARYLYLDPEVGGKIAVAEAARNIICSGAEPLAVTDNLNFGNPEKPEIFWQIEKAADGISEACNVLSTPVIGGNVSLYNESNGTAIYPTPVIGMVGLIEDTAHITTQHFKQAGDLVYVIGETKPEFAGSELQKMTEGRIYGKAPQIDLDVELSRQKALLDAIKKGFVQSAHDVSEGGLGVAIAESVMTTENLGANVTVEGEAALLFSESQSRFVVSVKKEHQAAFEATVKDAVHIGEVTADGILAIQNQDGQQMIHAQTKELERVWKGAIPCLLKSKA |
| Complex: ADP_A_5(2HRU) / Model_5(2HRU/A) = [4.7]
| Download | 1212.97 | 16.80 | MSLLLEPSKEQIKEEKLYQQMGVSDDEFALIESILGRLPNYTEIGIFSVMWSEHCSYKNSKPILRKFPTSGERVLQGPGEGAGIVDIGDNQAVVFKIESHNHPSALEPYQGAATGVGGIIRDVFSMGARPIAVLNSLRFGELTSPRVKYLFEEVVAGIAGYGNCIGIPTVGGEVQFDSSYEGNPLVNAMCVGLINHEDIKKGQAKGVGNTVMYVGAKTGRDGIHGATFASEEMSDSSEEKRSAVQVGDPFMEKLLLEACLEVIQCDALVGIQDMGAAGLTSSSAEMASKAGSGIEMNLDLIPQRETGMTAYEMMLSESQERMLLVIERGREQEIIDIFDKYDLEAVSVGHVTDDKMLRLTHKGEVVCELPVDALAEEAPVYHKPSQEPAYYREFLETDVPAPQIEDANEMLKALLQQPTIASKEWVYDQYDYMVRTNTVVAPGSDAGVLRIRGTKKALAMTTDCNARYLYLDPEVGGKIAVAEAARNIICSGAEPLAVTDNLNFGNPEKPEIFWQIEKAADGISEACNVLSTPVIGGNVSLYNESNGTAIYPTPVIGMVGLIEDTAHITTQHFKQAGDLVYVIGETKPEFAGSELQKMTEGRIYGKAPQIDLDVELSRQKALLDAIKKGFVQSAHDVSEGGLGVAIAESVMTTENLGANVTVEGEAALLFSESQSRFVVSVKKEHQAAFEATVKDAVHIGEVTADGILAIQNQDGQQMIHAQTKELERVWKGAIPCLLKSKA |
| Complex: ADP_A_2(3VIU) / Model_1(3VIU/A) = [4.8]
| Download | 1312.62 | 10.28 | MSLLLEPSKEQIKEEKLYQQMGVSDDEFALIESILGRLPNYTEIGIFSVMWSEHCSYKNSKPILRKFPTSGERVLQGPGEGAGIVDIGDNQAVVFKIESHNHPSALEPYQGAATGVGGIIRDVFSMGARPIAVLNSLRFGELTSPRVKYLFEEVVAGIAGYGNCIGIPTVGGEVQFDSSYEGNPLVNAMCVGLINHEDIKKGQAKGVGNTVMYVGAKTGRDGIHGATFASEEMSDSSEEKRSAVQVGDPFMEKLLLEACLEVIQCDALVGIQDMGAAGLTSSSAEMASKAGSGIEMNLDLIPQRETGMTAYEMMLSESQERMLLVIERGREQEIIDIFDKYDLEAVSVGHVTDDKMLRLTHKGEVVCELPVDALAEEAPVYHKPSQEPAYYREFLETDVPAPQIEDANEMLKALLQQPTIASKEWVYDQYDYMVRTNTVVAPGSDAGVLRIRGTKKALAMTTDCNARYLYLDPEVGGKIAVAEAARNIICSGAEPLAVTDNLNFGNPEKPEIFWQIEKAADGISEACNVLSTPVIGGNVSLYNESNGTAIYPTPVIGMVGLIEDTAHITTQHFKQAGDLVYVIGETKPEFAGSELQKMTEGRIYGKAPQIDLDVELSRQKALLDAIKKGFVQSAHDVSEGGLGVAIAESVMTTENLGANVTVEGEAALLFSESQSRFVVSVKKEHQAAFEATVKDAVHIGEVTADGILAIQNQDGQQMIHAQTKELERVWKGAIPCLLKSKA |
| Complex: ADP_A_2(3VIU) / Model_21(3VIU/A) = [4.8]
| Download | 1232.98 | 13.27 | MSLLLEPSKEQIKEEKLYQQMGVSDDEFALIESILGRLPNYTEIGIFSVMWSEHCSYKNSKPILRKFPTSGERVLQGPGEGAGIVDIGDNQAVVFKIESHNHPSALEPYQGAATGVGGIIRDVFSMGARPIAVLNSLRFGELTSPRVKYLFEEVVAGIAGYGNCIGIPTVGGEVQFDSSYEGNPLVNAMCVGLINHEDIKKGQAKGVGNTVMYVGAKTGRDGIHGATFASEEMSDSSEEKRSAVQVGDPFMEKLLLEACLEVIQCDALVGIQDMGAAGLTSSSAEMASKAGSGIEMNLDLIPQRETGMTAYEMMLSESQERMLLVIERGREQEIIDIFDKYDLEAVSVGHVTDDKMLRLTHKGEVVCELPVDALAEEAPVYHKPSQEPAYYREFLETDVPAPQIEDANEMLKALLQQPTIASKEWVYDQYDYMVRTNTVVAPGSDAGVLRIRGTKKALAMTTDCNARYLYLDPEVGGKIAVAEAARNIICSGAEPLAVTDNLNFGNPEKPEIFWQIEKAADGISEACNVLSTPVIGGNVSLYNESNGTAIYPTPVIGMVGLIEDTAHITTQHFKQAGDLVYVIGETKPEFAGSELQKMTEGRIYGKAPQIDLDVELSRQKALLDAIKKGFVQSAHDVSEGGLGVAIAESVMTTENLGANVTVEGEAALLFSESQSRFVVSVKKEHQAAFEATVKDAVHIGEVTADGILAIQNQDGQQMIHAQTKELERVWKGAIPCLLKSKA |
Consensus
[pKd Mean = 4.66] | - | 1366
(s=142) | 12
(s=2) | MSLLLEPSKEQIKEEKLYQQMGVSDDEFALIESILGRLPNYTEIGIFSVMWSEHCSYKNSKPILRKFPTSGERVLQGPGEGAGIVDIGDNQAVVFKIESHNHPSALEPYQGAATGVGGIIRDVFSMGARPIAVLNSLRFGELTSPRVKYLFEEVVAGIAGYGNCIGIPTVGGEVQFDSSYEGNPLVNAMCVGLINHEDIKKGQAKGVGNTVMYVGAKTGRDGIHGATFASEEMSDSSEEKRSAVQVGDPFMEKLLLEACLEVIQCDALVGIQDMGAAGLTSSSAEMASKAGSGIEMNLDLIPQRETGMTAYEMMLSESQERMLLVIERGREQEIIDIFDKYDLEAVSVGHVTDDKMLRLTHKGEVVCELPVDALAEEAPVYHKPSQEPAYYREFLETDVPAPQIEDANEMLKALLQQPTIASKEWVYDQYDYMVRTNTVVAPGSDAGVLRIRGTKKALAMTTDCNARYLYLDPEVGGKIAVAEAARNIICSGAEPLAVTDNLNFGNPEKPEIFWQIEKAADGISEACNVLSTPVIGGNVSLYNESNGTAIYPTPVIGMVGLIEDTAHITTQHFKQAGDLVYVIGETKPEFAGSELQKMTEGRIYGKAPQIDLDVELSRQKALLDAIKKGFVQSAHDVSEGGLGVAIAESVMTTENLGANVTVEGEAALLFSESQSRFVVSVKKEHQAAFEATVKDAVHIGEVTADGILAIQNQDGQQMIHAQTKELERVWKGAIPCLLKSKA |