| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: ACP_A_6(2HS4) / Model_4(2HS4/A) = [4.6]
| Download | 1301.09 | 12.72 | MPNMEPTTKEIKEQKIYQEMGLTDSEYELVCSILGREPNYTETGLFSVMWSEHCSYKNSKPVLRKFPTEGKQVLQGPGEGAGIVDIGDGLGVAFKVESHNHPSYVEPYQGAATGVGGIIRDVFSMGARPIAMLNSLRFGELDTPHAKYLVSEVVAGIAGYGNSIGIPTVGGEIQFDPCYTKNPLVNAMCVGLIEAKDIQKGQAKGIGNPVMYVGAKTGRDGIHGATFASVEFSEEGEQQRSAVQVGDPFMEKLLLEACLDVIRDHSDILVGIQDMGAAGLVSSSSEMASKAGAGLELIMDDVPQRELHMTPYEMLLSESQERMLLCVKKGHVEEIQALFERYGLEAVVIGQVTDDKMYKIIHHGEVVANVPVDALAEDAPVYHKPSKEPTRYQAFQEEEAFVPAMDDVVGVWKELLAQPTIASKRHIYEQYDYQVRTDTAVVPGSDAAIVRVRGTEKAIAMTTDCNSRYLYLDPEVGGAIAVAEAARNIVCSGGKPLAITDGLNFGNPEKPEIFWEIEKAADGISAACLELDTPVISGNVSLYNETDGTGIYPTPVIGMVGLVEDLAHITTQDFKNSGDVIFLIGETKAEYSGSELQKLQQGKISGRAPELDLVTEKKYQQLLLTAIQEGLVASSHDLAEGGFGVALAEATFKAGLGAEVEVPFALNQLFSESQSRFLVSVKPENEAAFAQLMELEKVYRLGVVTEDDTIRVKHKEDQVTAKTTELRSIWEGAIPCLLK |
| Complex: ADP_A_5(2HRU) / Model_5(2HRU/A) = [4.7]
| Download | 1195.95 | 17.90 | MPNMEPTTKEIKEQKIYQEMGLTDSEYELVCSILGREPNYTETGLFSVMWSEHCSYKNSKPVLRKFPTEGKQVLQGPGEGAGIVDIGDGLGVAFKVESHNHPSYVEPYQGAATGVGGIIRDVFSMGARPIAMLNSLRFGELDTPHAKYLVSEVVAGIAGYGNSIGIPTVGGEIQFDPCYTKNPLVNAMCVGLIEAKDIQKGQAKGIGNPVMYVGAKTGRDGIHGATFASVEFSEEGEQQRSAVQVGDPFMEKLLLEACLDVIRDHSDILVGIQDMGAAGLVSSSSEMASKAGAGLELIMDDVPQRELHMTPYEMLLSESQERMLLCVKKGHVEEIQALFERYGLEAVVIGQVTDDKMYKIIHHGEVVANVPVDALAEDAPVYHKPSKEPTRYQAFQEEEAFVPAMDDVVGVWKELLAQPTIASKRHIYEQYDYQVRTDTAVVPGSDAAIVRVRGTEKAIAMTTDCNSRYLYLDPEVGGAIAVAEAARNIVCSGGKPLAITDGLNFGNPEKPEIFWEIEKAADGISAACLELDTPVISGNVSLYNETDGTGIYPTPVIGMVGLVEDLAHITTQDFKNSGDVIFLIGETKAEYSGSELQKLQQGKISGRAPELDLVTEKKYQQLLLTAIQEGLVASSHDLAEGGFGVALAEATFKAGLGAEVEVPFALNQLFSESQSRFLVSVKPENEAAFAQLMELEKVYRLGVVTEDDTIRVKHKEDQVTAKTTELRSIWEGAIPCLLK |
| Complex: ATP_A_5(2HS0) / Model_2(2HS0/A) = [4.8]
| Download | 1398.26 | 11.73 | MPNMEPTTKEIKEQKIYQEMGLTDSEYELVCSILGREPNYTETGLFSVMWSEHCSYKNSKPVLRKFPTEGKQVLQGPGEGAGIVDIGDGLGVAFKVESHNHPSYVEPYQGAATGVGGIIRDVFSMGARPIAMLNSLRFGELDTPHAKYLVSEVVAGIAGYGNSIGIPTVGGEIQFDPCYTKNPLVNAMCVGLIEAKDIQKGQAKGIGNPVMYVGAKTGRDGIHGATFASVEFSEEGEQQRSAVQVGDPFMEKLLLEACLDVIRDHSDILVGIQDMGAAGLVSSSSEMASKAGAGLELIMDDVPQRELHMTPYEMLLSESQERMLLCVKKGHVEEIQALFERYGLEAVVIGQVTDDKMYKIIHHGEVVANVPVDALAEDAPVYHKPSKEPTRYQAFQEEEAFVPAMDDVVGVWKELLAQPTIASKRHIYEQYDYQVRTDTAVVPGSDAAIVRVRGTEKAIAMTTDCNSRYLYLDPEVGGAIAVAEAARNIVCSGGKPLAITDGLNFGNPEKPEIFWEIEKAADGISAACLELDTPVISGNVSLYNETDGTGIYPTPVIGMVGLVEDLAHITTQDFKNSGDVIFLIGETKAEYSGSELQKLQQGKISGRAPELDLVTEKKYQQLLLTAIQEGLVASSHDLAEGGFGVALAEATFKAGLGAEVEVPFALNQLFSESQSRFLVSVKPENEAAFAQLMELEKVYRLGVVTEDDTIRVKHKEDQVTAKTTELRSIWEGAIPCLLK |
| Complex: ADP_A_2(3VIU) / Model_26(3VIU/A) = [5.0]
| Download | 1161.58 | 11.18 | MPNMEPTTKEIKEQKIYQEMGLTDSEYELVCSILGREPNYTETGLFSVMWSEHCSYKNSKPVLRKFPTEGKQVLQGPGEGAGIVDIGDGLGVAFKVESHNHPSYVEPYQGAATGVGGIIRDVFSMGARPIAMLNSLRFGELDTPHAKYLVSEVVAGIAGYGNSIGIPTVGGEIQFDPCYTKNPLVNAMCVGLIEAKDIQKGQAKGIGNPVMYVGAKTGRDGIHGATFASVEFSEEGEQQRSAVQVGDPFMEKLLLEACLDVIRDHSDILVGIQDMGAAGLVSSSSEMASKAGAGLELIMDDVPQRELHMTPYEMLLSESQERMLLCVKKGHVEEIQALFERYGLEAVVIGQVTDDKMYKIIHHGEVVANVPVDALAEDAPVYHKPSKEPTRYQAFQEEEAFVPAMDDVVGVWKELLAQPTIASKRHIYEQYDYQVRTDTAVVPGSDAAIVRVRGTEKAIAMTTDCNSRYLYLDPEVGGAIAVAEAARNIVCSGGKPLAITDGLNFGNPEKPEIFWEIEKAADGISAACLELDTPVISGNVSLYNETDGTGIYPTPVIGMVGLVEDLAHITTQDFKNSGDVIFLIGETKAEYSGSELQKLQQGKISGRAPELDLVTEKKYQQLLLTAIQEGLVASSHDLAEGGFGVALAEATFKAGLGAEVEVPFALNQLFSESQSRFLVSVKPENEAAFAQLMELEKVYRLGVVTEDDTIRVKHKEDQVTAKTTELRSIWEGAIPCLLK |
| Complex: ACP_A_5(2HRY) / Model_6(2HRY/A) = [5.3]
| Download | 1579.57 | 12.84 | MPNMEPTTKEIKEQKIYQEMGLTDSEYELVCSILGREPNYTETGLFSVMWSEHCSYKNSKPVLRKFPTEGKQVLQGPGEGAGIVDIGDGLGVAFKVESHNHPSYVEPYQGAATGVGGIIRDVFSMGARPIAMLNSLRFGELDTPHAKYLVSEVVAGIAGYGNSIGIPTVGGEIQFDPCYTKNPLVNAMCVGLIEAKDIQKGQAKGIGNPVMYVGAKTGRDGIHGATFASVEFSEEGEQQRSAVQVGDPFMEKLLLEACLDVIRDHSDILVGIQDMGAAGLVSSSSEMASKAGAGLELIMDDVPQRELHMTPYEMLLSESQERMLLCVKKGHVEEIQALFERYGLEAVVIGQVTDDKMYKIIHHGEVVANVPVDALAEDAPVYHKPSKEPTRYQAFQEEEAFVPAMDDVVGVWKELLAQPTIASKRHIYEQYDYQVRTDTAVVPGSDAAIVRVRGTEKAIAMTTDCNSRYLYLDPEVGGAIAVAEAARNIVCSGGKPLAITDGLNFGNPEKPEIFWEIEKAADGISAACLELDTPVISGNVSLYNETDGTGIYPTPVIGMVGLVEDLAHITTQDFKNSGDVIFLIGETKAEYSGSELQKLQQGKISGRAPELDLVTEKKYQQLLLTAIQEGLVASSHDLAEGGFGVALAEATFKAGLGAEVEVPFALNQLFSESQSRFLVSVKPENEAAFAQLMELEKVYRLGVVTEDDTIRVKHKEDQVTAKTTELRSIWEGAIPCLLK |
Consensus
[pKd Mean = 4.88] | - | 1327
(s=151) | 13
(s=2) | MPNMEPTTKEIKEQKIYQEMGLTDSEYELVCSILGREPNYTETGLFSVMWSEHCSYKNSKPVLRKFPTEGKQVLQGPGEGAGIVDIGDGLGVAFKVESHNHPSYVEPYQGAATGVGGIIRDVFSMGARPIAMLNSLRFGELDTPHAKYLVSEVVAGIAGYGNSIGIPTVGGEIQFDPCYTKNPLVNAMCVGLIEAKDIQKGQAKGIGNPVMYVGAKTGRDGIHGATFASVEFSEEGEQQRSAVQVGDPFMEKLLLEACLDVIRDHSDILVGIQDMGAAGLVSSSSEMASKAGAGLELIMDDVPQRELHMTPYEMLLSESQERMLLCVKKGHVEEIQALFERYGLEAVVIGQVTDDKMYKIIHHGEVVANVPVDALAEDAPVYHKPSKEPTRYQAFQEEEAFVPAMDDVVGVWKELLAQPTIASKRHIYEQYDYQVRTDTAVVPGSDAAIVRVRGTEKAIAMTTDCNSRYLYLDPEVGGAIAVAEAARNIVCSGGKPLAITDGLNFGNPEKPEIFWEIEKAADGISAACLELDTPVISGNVSLYNETDGTGIYPTPVIGMVGLVEDLAHITTQDFKNSGDVIFLIGETKAEYSGSELQKLQQGKISGRAPELDLVTEKKYQQLLLTAIQEGLVASSHDLAEGGFGVALAEATFKAGLGAEVEVPFALNQLFSESQSRFLVSVKPENEAAFAQLMELEKVYRLGVVTEDDTIRVKHKEDQVTAKTTELRSIWEGAIPCLLK |