| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: ACP_A_6(2HS4) / Model_4(2HS4/A) = [4.1]
| Download | 1382.19 | 11.47 | MSKFIEPSVEEIKLEKVYQDMGLSDQEYEKVCDILGRQPNFTETGIFSVMWSEHCSYKHSKPFLKQFPTSGEHVLMGPGEGAGVVDIGDNQAVVFKVESHNHPSAIEPYQGAATGVGGIIRDIVSIGARPINLLNSLRFGELDNKQNQRLLKGVVKGIGGYGNCIGIPTTAGEIEFDERYDGNPLVNAMCVGVINHDMIQKGTAKGVGNSVIYVGLKTGRDGIHGATFASEELTEESESKRPSVQIGDPFVGKKLMEATLEAITFDELVGIQDMGAAGLTSSSSEMAAKGGSGLHLRLEQVPTREPGISPYEMMLSETQERMLLVVEKGNEQKFLDLFDKHELDSAVIGEVTDTNRFVLTYDDEVYADIPVEPLADEAPVYILEGEEKDYNTSKNDYTHIDVKDTFFKLLKHPTIASKHYLYDQYDQQVGANTIIKPGLQASVVRVEGTNKAIASTIDGEARYVYNNPYEGGKMVVAEAYRNLIAVGATPLAMTDCLNYGSPEKKEIYQQLIDSTKGMAEACDILKTPVVSGNVSLYNETKGTSIFPTPVVGMVGLIENVNYLNDFEPQVGDKLYLIGDTKDDFGGSQLEKLIYGKVNHEFESLDLSSEVEKGESIKTAIREGLLSHVQTVGKGGLLITLAKLSAHYGLGLKSSIDITNAQLFSETQGRYVVSVKSGKTLNIDNAIEIGLLTDSDNFKVTTPYTEISENVSDIKQIWEGAIAQCLTTQD |
| Complex: ATP_A_5(2HS0) / Model_2(2HS0/A) = [4.7]
| Download | 1603.38 | 12.18 | MSKFIEPSVEEIKLEKVYQDMGLSDQEYEKVCDILGRQPNFTETGIFSVMWSEHCSYKHSKPFLKQFPTSGEHVLMGPGEGAGVVDIGDNQAVVFKVESHNHPSAIEPYQGAATGVGGIIRDIVSIGARPINLLNSLRFGELDNKQNQRLLKGVVKGIGGYGNCIGIPTTAGEIEFDERYDGNPLVNAMCVGVINHDMIQKGTAKGVGNSVIYVGLKTGRDGIHGATFASEELTEESESKRPSVQIGDPFVGKKLMEATLEAITFDELVGIQDMGAAGLTSSSSEMAAKGGSGLHLRLEQVPTREPGISPYEMMLSETQERMLLVVEKGNEQKFLDLFDKHELDSAVIGEVTDTNRFVLTYDDEVYADIPVEPLADEAPVYILEGEEKDYNTSKNDYTHIDVKDTFFKLLKHPTIASKHYLYDQYDQQVGANTIIKPGLQASVVRVEGTNKAIASTIDGEARYVYNNPYEGGKMVVAEAYRNLIAVGATPLAMTDCLNYGSPEKKEIYQQLIDSTKGMAEACDILKTPVVSGNVSLYNETKGTSIFPTPVVGMVGLIENVNYLNDFEPQVGDKLYLIGDTKDDFGGSQLEKLIYGKVNHEFESLDLSSEVEKGESIKTAIREGLLSHVQTVGKGGLLITLAKLSAHYGLGLKSSIDITNAQLFSETQGRYVVSVKSGKTLNIDNAIEIGLLTDSDNFKVTTPYTEISENVSDIKQIWEGAIAQCLTTQD |
| Complex: ADP_A_2(3VIU) / Model_1(3VIU/A) = [5.0]
| Download | 1244.73 | 14.64 | MSKFIEPSVEEIKLEKVYQDMGLSDQEYEKVCDILGRQPNFTETGIFSVMWSEHCSYKHSKPFLKQFPTSGEHVLMGPGEGAGVVDIGDNQAVVFKVESHNHPSAIEPYQGAATGVGGIIRDIVSIGARPINLLNSLRFGELDNKQNQRLLKGVVKGIGGYGNCIGIPTTAGEIEFDERYDGNPLVNAMCVGVINHDMIQKGTAKGVGNSVIYVGLKTGRDGIHGATFASEELTEESESKRPSVQIGDPFVGKKLMEATLEAITFDELVGIQDMGAAGLTSSSSEMAAKGGSGLHLRLEQVPTREPGISPYEMMLSETQERMLLVVEKGNEQKFLDLFDKHELDSAVIGEVTDTNRFVLTYDDEVYADIPVEPLADEAPVYILEGEEKDYNTSKNDYTHIDVKDTFFKLLKHPTIASKHYLYDQYDQQVGANTIIKPGLQASVVRVEGTNKAIASTIDGEARYVYNNPYEGGKMVVAEAYRNLIAVGATPLAMTDCLNYGSPEKKEIYQQLIDSTKGMAEACDILKTPVVSGNVSLYNETKGTSIFPTPVVGMVGLIENVNYLNDFEPQVGDKLYLIGDTKDDFGGSQLEKLIYGKVNHEFESLDLSSEVEKGESIKTAIREGLLSHVQTVGKGGLLITLAKLSAHYGLGLKSSIDITNAQLFSETQGRYVVSVKSGKTLNIDNAIEIGLLTDSDNFKVTTPYTEISENVSDIKQIWEGAIAQCLTTQD |
| Complex: ADP_A_2(3VIU) / Model_21(3VIU/A) = [5.0]
| Download | 1410.41 | 14.64 | MSKFIEPSVEEIKLEKVYQDMGLSDQEYEKVCDILGRQPNFTETGIFSVMWSEHCSYKHSKPFLKQFPTSGEHVLMGPGEGAGVVDIGDNQAVVFKVESHNHPSAIEPYQGAATGVGGIIRDIVSIGARPINLLNSLRFGELDNKQNQRLLKGVVKGIGGYGNCIGIPTTAGEIEFDERYDGNPLVNAMCVGVINHDMIQKGTAKGVGNSVIYVGLKTGRDGIHGATFASEELTEESESKRPSVQIGDPFVGKKLMEATLEAITFDELVGIQDMGAAGLTSSSSEMAAKGGSGLHLRLEQVPTREPGISPYEMMLSETQERMLLVVEKGNEQKFLDLFDKHELDSAVIGEVTDTNRFVLTYDDEVYADIPVEPLADEAPVYILEGEEKDYNTSKNDYTHIDVKDTFFKLLKHPTIASKHYLYDQYDQQVGANTIIKPGLQASVVRVEGTNKAIASTIDGEARYVYNNPYEGGKMVVAEAYRNLIAVGATPLAMTDCLNYGSPEKKEIYQQLIDSTKGMAEACDILKTPVVSGNVSLYNETKGTSIFPTPVVGMVGLIENVNYLNDFEPQVGDKLYLIGDTKDDFGGSQLEKLIYGKVNHEFESLDLSSEVEKGESIKTAIREGLLSHVQTVGKGGLLITLAKLSAHYGLGLKSSIDITNAQLFSETQGRYVVSVKSGKTLNIDNAIEIGLLTDSDNFKVTTPYTEISENVSDIKQIWEGAIAQCLTTQD |
| Complex: ADP_A_5(2HRU) / Model_5(2HRU/A) = [5.0]
| Download | 1366.83 | 14.53 | MSKFIEPSVEEIKLEKVYQDMGLSDQEYEKVCDILGRQPNFTETGIFSVMWSEHCSYKHSKPFLKQFPTSGEHVLMGPGEGAGVVDIGDNQAVVFKVESHNHPSAIEPYQGAATGVGGIIRDIVSIGARPINLLNSLRFGELDNKQNQRLLKGVVKGIGGYGNCIGIPTTAGEIEFDERYDGNPLVNAMCVGVINHDMIQKGTAKGVGNSVIYVGLKTGRDGIHGATFASEELTEESESKRPSVQIGDPFVGKKLMEATLEAITFDELVGIQDMGAAGLTSSSSEMAAKGGSGLHLRLEQVPTREPGISPYEMMLSETQERMLLVVEKGNEQKFLDLFDKHELDSAVIGEVTDTNRFVLTYDDEVYADIPVEPLADEAPVYILEGEEKDYNTSKNDYTHIDVKDTFFKLLKHPTIASKHYLYDQYDQQVGANTIIKPGLQASVVRVEGTNKAIASTIDGEARYVYNNPYEGGKMVVAEAYRNLIAVGATPLAMTDCLNYGSPEKKEIYQQLIDSTKGMAEACDILKTPVVSGNVSLYNETKGTSIFPTPVVGMVGLIENVNYLNDFEPQVGDKLYLIGDTKDDFGGSQLEKLIYGKVNHEFESLDLSSEVEKGESIKTAIREGLLSHVQTVGKGGLLITLAKLSAHYGLGLKSSIDITNAQLFSETQGRYVVSVKSGKTLNIDNAIEIGLLTDSDNFKVTTPYTEISENVSDIKQIWEGAIAQCLTTQD |
Consensus
[pKd Mean = 4.76] | - | 1401
(s=115) | 13
(s=1) | MSKFIEPSVEEIKLEKVYQDMGLSDQEYEKVCDILGRQPNFTETGIFSVMWSEHCSYKHSKPFLKQFPTSGEHVLMGPGEGAGVVDIGDNQAVVFKVESHNHPSAIEPYQGAATGVGGIIRDIVSIGARPINLLNSLRFGELDNKQNQRLLKGVVKGIGGYGNCIGIPTTAGEIEFDERYDGNPLVNAMCVGVINHDMIQKGTAKGVGNSVIYVGLKTGRDGIHGATFASEELTEESESKRPSVQIGDPFVGKKLMEATLEAITFDELVGIQDMGAAGLTSSSSEMAAKGGSGLHLRLEQVPTREPGISPYEMMLSETQERMLLVVEKGNEQKFLDLFDKHELDSAVIGEVTDTNRFVLTYDDEVYADIPVEPLADEAPVYILEGEEKDYNTSKNDYTHIDVKDTFFKLLKHPTIASKHYLYDQYDQQVGANTIIKPGLQASVVRVEGTNKAIASTIDGEARYVYNNPYEGGKMVVAEAYRNLIAVGATPLAMTDCLNYGSPEKKEIYQQLIDSTKGMAEACDILKTPVVSGNVSLYNETKGTSIFPTPVVGMVGLIENVNYLNDFEPQVGDKLYLIGDTKDDFGGSQLEKLIYGKVNHEFESLDLSSEVEKGESIKTAIREGLLSHVQTVGKGGLLITLAKLSAHYGLGLKSSIDITNAQLFSETQGRYVVSVKSGKTLNIDNAIEIGLLTDSDNFKVTTPYTEISENVSDIKQIWEGAIAQCLTTQD |