Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
Complex: ADP_A_3(3A1D) / Model_11(3A1D/A) = [4.6]
| Download | 975.52 | 26.84 | MAAPVVGDADLQSVRRIRLDVLGMSCAACASRVETKLNKIPGVRASVNFATRVATIDAVGMAADELCGVVEKAGYHAAPHTETTVLDKRTKDPDGAHARRLLRRLLVAAVLFVPLADLSTLFAIVPSARVPGWGYILTALAAPVVTWAAWPFHSVALRNARHRTTSMETLISVGIVAATAWSLSSVFGDQPPREGSGIWRAILNSDSIYLEVAAGVTVFVLAGRYFEARAKSKAGSALRALAELGAKNVAVLLPDGAELVIPASELKKRQRFVTRPGETIAADGVVVDGSAAIDMSAMTGEAKPVRAYPAASVVGGTVVMDGRLVIEATAVGADTQFAAMVRLVEQAQTQKARAQRLADHIAGVFVPVVFVIAGLAGAAWLVSGAGADRAFSVTLGVLVIACPCALGLATPTAMMVASGRGAQLGIFIKGYRALETIRSIDTVVFDKTGTLTVGQLAVSTVTMAGSGTSERDREEVLGLAAAVESASEHAMAAAIVAASPDPGPVNGFVAVAGCGVSGEVGGHHVEVGKPSWITRTTPCHDAALVSARLDGESRGETVVFVSVDGVVRAALTIADTLKDSAAAAVAALRSRGLRTILLTGDNRAAADAVAAQVGIDSAVADMLPEGKVDVIQRLREEGHTVAMVGDGINDGPALVGADLGLAIGRGTDVALGAADIILVRDDLNTVPQALDLARATMRTIRMNMIWAFGYNVAAIPIAAAGLLNPLIAGAAMAFSSFFVVSNSLRLRNFGAQ |
Complex: A99_A_3(2YJ6) / Model_18(2YJ6/A) = [5.1]
| Download | 1483.79 | 13.63 | MAAPVVGDADLQSVRRIRLDVLGMSCAACASRVETKLNKIPGVRASVNFATRVATIDAVGMAADELCGVVEKAGYHAAPHTETTVLDKRTKDPDGAHARRLLRRLLVAAVLFVPLADLSTLFAIVPSARVPGWGYILTALAAPVVTWAAWPFHSVALRNARHRTTSMETLISVGIVAATAWSLSSVFGDQPPREGSGIWRAILNSDSIYLEVAAGVTVFVLAGRYFEARAKSKAGSALRALAELGAKNVAVLLPDGAELVIPASELKKRQRFVTRPGETIAADGVVVDGSAAIDMSAMTGEAKPVRAYPAASVVGGTVVMDGRLVIEATAVGADTQFAAMVRLVEQAQTQKARAQRLADHIAGVFVPVVFVIAGLAGAAWLVSGAGADRAFSVTLGVLVIACPCALGLATPTAMMVASGRGAQLGIFIKGYRALETIRSIDTVVFDKTGTLTVGQLAVSTVTMAGSGTSERDREEVLGLAAAVESASEHAMAAAIVAASPDPGPVNGFVAVAGCGVSGEVGGHHVEVGKPSWITRTTPCHDAALVSARLDGESRGETVVFVSVDGVVRAALTIADTLKDSAAAAVAALRSRGLRTILLTGDNRAAADAVAAQVGIDSAVADMLPEGKVDVIQRLREEGHTVAMVGDGINDGPALVGADLGLAIGRGTDVALGAADIILVRDDLNTVPQALDLARATMRTIRMNMIWAFGYNVAAIPIAAAGLLNPLIAGAAMAFSSFFVVSNSLRLRNFGAQ |
Complex: ACP_A_3(3A1E) / Model_12(3A1E/A) = [5.2]
| Download | 988.54 | 26.94 | MAAPVVGDADLQSVRRIRLDVLGMSCAACASRVETKLNKIPGVRASVNFATRVATIDAVGMAADELCGVVEKAGYHAAPHTETTVLDKRTKDPDGAHARRLLRRLLVAAVLFVPLADLSTLFAIVPSARVPGWGYILTALAAPVVTWAAWPFHSVALRNARHRTTSMETLISVGIVAATAWSLSSVFGDQPPREGSGIWRAILNSDSIYLEVAAGVTVFVLAGRYFEARAKSKAGSALRALAELGAKNVAVLLPDGAELVIPASELKKRQRFVTRPGETIAADGVVVDGSAAIDMSAMTGEAKPVRAYPAASVVGGTVVMDGRLVIEATAVGADTQFAAMVRLVEQAQTQKARAQRLADHIAGVFVPVVFVIAGLAGAAWLVSGAGADRAFSVTLGVLVIACPCALGLATPTAMMVASGRGAQLGIFIKGYRALETIRSIDTVVFDKTGTLTVGQLAVSTVTMAGSGTSERDREEVLGLAAAVESASEHAMAAAIVAASPDPGPVNGFVAVAGCGVSGEVGGHHVEVGKPSWITRTTPCHDAALVSARLDGESRGETVVFVSVDGVVRAALTIADTLKDSAAAAVAALRSRGLRTILLTGDNRAAADAVAAQVGIDSAVADMLPEGKVDVIQRLREEGHTVAMVGDGINDGPALVGADLGLAIGRGTDVALGAADIILVRDDLNTVPQALDLARATMRTIRMNMIWAFGYNVAAIPIAAAGLLNPLIAGAAMAFSSFFVVSNSLRLRNFGAQ |
Complex: ACP_B_5(3A1E) / Model_26(3A1E/B) = [5.5]
| Download | 1009.04 | 21.14 | MAAPVVGDADLQSVRRIRLDVLGMSCAACASRVETKLNKIPGVRASVNFATRVATIDAVGMAADELCGVVEKAGYHAAPHTETTVLDKRTKDPDGAHARRLLRRLLVAAVLFVPLADLSTLFAIVPSARVPGWGYILTALAAPVVTWAAWPFHSVALRNARHRTTSMETLISVGIVAATAWSLSSVFGDQPPREGSGIWRAILNSDSIYLEVAAGVTVFVLAGRYFEARAKSKAGSALRALAELGAKNVAVLLPDGAELVIPASELKKRQRFVTRPGETIAADGVVVDGSAAIDMSAMTGEAKPVRAYPAASVVGGTVVMDGRLVIEATAVGADTQFAAMVRLVEQAQTQKARAQRLADHIAGVFVPVVFVIAGLAGAAWLVSGAGADRAFSVTLGVLVIACPCALGLATPTAMMVASGRGAQLGIFIKGYRALETIRSIDTVVFDKTGTLTVGQLAVSTVTMAGSGTSERDREEVLGLAAAVESASEHAMAAAIVAASPDPGPVNGFVAVAGCGVSGEVGGHHVEVGKPSWITRTTPCHDAALVSARLDGESRGETVVFVSVDGVVRAALTIADTLKDSAAAAVAALRSRGLRTILLTGDNRAAADAVAAQVGIDSAVADMLPEGKVDVIQRLREEGHTVAMVGDGINDGPALVGADLGLAIGRGTDVALGAADIILVRDDLNTVPQALDLARATMRTIRMNMIWAFGYNVAAIPIAAAGLLNPLIAGAAMAFSSFFVVSNSLRLRNFGAQ |
Complex: ACP_A_3(3A1C) / Model_10(3A1C/A) = [5.6]
| Download | 1058.98 | 26.32 | MAAPVVGDADLQSVRRIRLDVLGMSCAACASRVETKLNKIPGVRASVNFATRVATIDAVGMAADELCGVVEKAGYHAAPHTETTVLDKRTKDPDGAHARRLLRRLLVAAVLFVPLADLSTLFAIVPSARVPGWGYILTALAAPVVTWAAWPFHSVALRNARHRTTSMETLISVGIVAATAWSLSSVFGDQPPREGSGIWRAILNSDSIYLEVAAGVTVFVLAGRYFEARAKSKAGSALRALAELGAKNVAVLLPDGAELVIPASELKKRQRFVTRPGETIAADGVVVDGSAAIDMSAMTGEAKPVRAYPAASVVGGTVVMDGRLVIEATAVGADTQFAAMVRLVEQAQTQKARAQRLADHIAGVFVPVVFVIAGLAGAAWLVSGAGADRAFSVTLGVLVIACPCALGLATPTAMMVASGRGAQLGIFIKGYRALETIRSIDTVVFDKTGTLTVGQLAVSTVTMAGSGTSERDREEVLGLAAAVESASEHAMAAAIVAASPDPGPVNGFVAVAGCGVSGEVGGHHVEVGKPSWITRTTPCHDAALVSARLDGESRGETVVFVSVDGVVRAALTIADTLKDSAAAAVAALRSRGLRTILLTGDNRAAADAVAAQVGIDSAVADMLPEGKVDVIQRLREEGHTVAMVGDGINDGPALVGADLGLAIGRGTDVALGAADIILVRDDLNTVPQALDLARATMRTIRMNMIWAFGYNVAAIPIAAAGLLNPLIAGAAMAFSSFFVVSNSLRLRNFGAQ |
Consensus [pKd Mean = 5.20] | - | 1103 (s=192) | 22 (s=5) | MAAPVVGDADLQSVRRIRLDVLGMSCAACASRVETKLNKIPGVRASVNFATRVATIDAVGMAADELCGVVEKAGYHAAPHTETTVLDKRTKDPDGAHARRLLRRLLVAAVLFVPLADLSTLFAIVPSARVPGWGYILTALAAPVVTWAAWPFHSVALRNARHRTTSMETLISVGIVAATAWSLSSVFGDQPPREGSGIWRAILNSDSIYLEVAAGVTVFVLAGRYFEARAKSKAGSALRALAELGAKNVAVLLPDGAELVIPASELKKRQRFVTRPGETIAADGVVVDGSAAIDMSAMTGEAKPVRAYPAASVVGGTVVMDGRLVIEATAVGADTQFAAMVRLVEQAQTQKARAQRLADHIAGVFVPVVFVIAGLAGAAWLVSGAGADRAFSVTLGVLVIACPCALGLATPTAMMVASGRGAQLGIFIKGYRALETIRSIDTVVFDKTGTLTVGQLAVSTVTMAGSGTSERDREEVLGLAAAVESASEHAMAAAIVAASPDPGPVNGFVAVAGCGVSGEVGGHHVEVGKPSWITRTTPCHDAALVSARLDGESRGETVVFVSVDGVVRAALTIADTLKDSAAAAVAALRSRGLRTILLTGDNRAAADAVAAQVGIDSAVADMLPEGKVDVIQRLREEGHTVAMVGDGINDGPALVGADLGLAIGRGTDVALGAADIILVRDDLNTVPQALDLARATMRTIRMNMIWAFGYNVAAIPIAAAGLLNPLIAGAAMAFSSFFVVSNSLRLRNFGAQ |