| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: DMS_A_4(5AKX) / Model_71(5AKX/A) = [3.1]
| Download | 396.28 | 5.33 | MMLMKKMRTAARLRSQLWSLKMPSLCHRSFAAISTYKAVIFDMYGVLIPSPVKLATVFEQQNSVPLGTLGRAIRTGGELNAWKRFMRGEIGAEEFVEAFGRQCSEIAGCPVPIGSFLSDLTSGPMTRPLPVMMKAILCARSRGLKTAVLSNNFFQLNGDPFLPLDHSLFDVIVESCREGLSKPDPRIYHLCLNRLGVSAHEAVFLDDLELNVKAAVQLGMHAIKVGDLAVSVKELEGMLGIPLSGFVPGPDSAPWATKLPMDRLTQYLRKALHLSDEDPVAVQQLSPSQSNSLYHLTTGGRHLLLRKQQKTSRAMETEYRMLKSLNGSSIPVPEIIDLCEDPSVLGAPFLLMEVCLGRMFSDHSLPGLTPGDRRALYQAMQHTLCQIHCLDTRVVGLEDYDEPVDYMGLQVRWWTQQYRDSETPPIPAMERLIQWLPLHLPKHQRTTLIHGSFRLENLVFHAEKPEVVAVMDWGRSRLGDPLIDLTFSCMGHCLPQDNPLLTGISDRGLVQLGIPTVEEVMGQYCSSMGLEEGIPDWNFYMAFHLFCLAASHQGESKSTIAGTRT |
| Complex: DMS_A_2(5AK5) / Model_80(5AK5/A) = [3.1]
| Download | 366.17 | 5.33 | MMLMKKMRTAARLRSQLWSLKMPSLCHRSFAAISTYKAVIFDMYGVLIPSPVKLATVFEQQNSVPLGTLGRAIRTGGELNAWKRFMRGEIGAEEFVEAFGRQCSEIAGCPVPIGSFLSDLTSGPMTRPLPVMMKAILCARSRGLKTAVLSNNFFQLNGDPFLPLDHSLFDVIVESCREGLSKPDPRIYHLCLNRLGVSAHEAVFLDDLELNVKAAVQLGMHAIKVGDLAVSVKELEGMLGIPLSGFVPGPDSAPWATKLPMDRLTQYLRKALHLSDEDPVAVQQLSPSQSNSLYHLTTGGRHLLLRKQQKTSRAMETEYRMLKSLNGSSIPVPEIIDLCEDPSVLGAPFLLMEVCLGRMFSDHSLPGLTPGDRRALYQAMQHTLCQIHCLDTRVVGLEDYDEPVDYMGLQVRWWTQQYRDSETPPIPAMERLIQWLPLHLPKHQRTTLIHGSFRLENLVFHAEKPEVVAVMDWGRSRLGDPLIDLTFSCMGHCLPQDNPLLTGISDRGLVQLGIPTVEEVMGQYCSSMGLEEGIPDWNFYMAFHLFCLAASHQGESKSTIAGTRT |
| Complex: DMS_A_6(5ALN) / Model_58(5ALN/A) = [3.1]
| Download | 340.77 | 11.75 | MMLMKKMRTAARLRSQLWSLKMPSLCHRSFAAISTYKAVIFDMYGVLIPSPVKLATVFEQQNSVPLGTLGRAIRTGGELNAWKRFMRGEIGAEEFVEAFGRQCSEIAGCPVPIGSFLSDLTSGPMTRPLPVMMKAILCARSRGLKTAVLSNNFFQLNGDPFLPLDHSLFDVIVESCREGLSKPDPRIYHLCLNRLGVSAHEAVFLDDLELNVKAAVQLGMHAIKVGDLAVSVKELEGMLGIPLSGFVPGPDSAPWATKLPMDRLTQYLRKALHLSDEDPVAVQQLSPSQSNSLYHLTTGGRHLLLRKQQKTSRAMETEYRMLKSLNGSSIPVPEIIDLCEDPSVLGAPFLLMEVCLGRMFSDHSLPGLTPGDRRALYQAMQHTLCQIHCLDTRVVGLEDYDEPVDYMGLQVRWWTQQYRDSETPPIPAMERLIQWLPLHLPKHQRTTLIHGSFRLENLVFHAEKPEVVAVMDWGRSRLGDPLIDLTFSCMGHCLPQDNPLLTGISDRGLVQLGIPTVEEVMGQYCSSMGLEEGIPDWNFYMAFHLFCLAASHQGESKSTIAGTRT |
| Complex: DMS_A_2(5ALH) / Model_64(5ALH/A) = [3.1]
| Download | 461.24 | 11.75 | MMLMKKMRTAARLRSQLWSLKMPSLCHRSFAAISTYKAVIFDMYGVLIPSPVKLATVFEQQNSVPLGTLGRAIRTGGELNAWKRFMRGEIGAEEFVEAFGRQCSEIAGCPVPIGSFLSDLTSGPMTRPLPVMMKAILCARSRGLKTAVLSNNFFQLNGDPFLPLDHSLFDVIVESCREGLSKPDPRIYHLCLNRLGVSAHEAVFLDDLELNVKAAVQLGMHAIKVGDLAVSVKELEGMLGIPLSGFVPGPDSAPWATKLPMDRLTQYLRKALHLSDEDPVAVQQLSPSQSNSLYHLTTGGRHLLLRKQQKTSRAMETEYRMLKSLNGSSIPVPEIIDLCEDPSVLGAPFLLMEVCLGRMFSDHSLPGLTPGDRRALYQAMQHTLCQIHCLDTRVVGLEDYDEPVDYMGLQVRWWTQQYRDSETPPIPAMERLIQWLPLHLPKHQRTTLIHGSFRLENLVFHAEKPEVVAVMDWGRSRLGDPLIDLTFSCMGHCLPQDNPLLTGISDRGLVQLGIPTVEEVMGQYCSSMGLEEGIPDWNFYMAFHLFCLAASHQGESKSTIAGTRT |
| Complex: DMS_A_4(5AKH) / Model_76(5AKH/A) = [3.1]
| Download | 413.49 | 11.75 | MMLMKKMRTAARLRSQLWSLKMPSLCHRSFAAISTYKAVIFDMYGVLIPSPVKLATVFEQQNSVPLGTLGRAIRTGGELNAWKRFMRGEIGAEEFVEAFGRQCSEIAGCPVPIGSFLSDLTSGPMTRPLPVMMKAILCARSRGLKTAVLSNNFFQLNGDPFLPLDHSLFDVIVESCREGLSKPDPRIYHLCLNRLGVSAHEAVFLDDLELNVKAAVQLGMHAIKVGDLAVSVKELEGMLGIPLSGFVPGPDSAPWATKLPMDRLTQYLRKALHLSDEDPVAVQQLSPSQSNSLYHLTTGGRHLLLRKQQKTSRAMETEYRMLKSLNGSSIPVPEIIDLCEDPSVLGAPFLLMEVCLGRMFSDHSLPGLTPGDRRALYQAMQHTLCQIHCLDTRVVGLEDYDEPVDYMGLQVRWWTQQYRDSETPPIPAMERLIQWLPLHLPKHQRTTLIHGSFRLENLVFHAEKPEVVAVMDWGRSRLGDPLIDLTFSCMGHCLPQDNPLLTGISDRGLVQLGIPTVEEVMGQYCSSMGLEEGIPDWNFYMAFHLFCLAASHQGESKSTIAGTRT |
Consensus
[pKd Mean = 3.10] | - | 395
(s=41) | 9
(s=3) | MMLMKKMRTAARLRSQLWSLKMPSLCHRSFAAISTYKAVIFDMYGVLIPSPVKLATVFEQQNSVPLGTLGRAIRTGGELNAWKRFMRGEIGAEEFVEAFGRQCSEIAGCPVPIGSFLSDLTSGPMTRPLPVMMKAILCARSRGLKTAVLSNNFFQLNGDPFLPLDHSLFDVIVESCREGLSKPDPRIYHLCLNRLGVSAHEAVFLDDLELNVKAAVQLGMHAIKVGDLAVSVKELEGMLGIPLSGFVPGPDSAPWATKLPMDRLTQYLRKALHLSDEDPVAVQQLSPSQSNSLYHLTTGGRHLLLRKQQKTSRAMETEYRMLKSLNGSSIPVPEIIDLCEDPSVLGAPFLLMEVCLGRMFSDHSLPGLTPGDRRALYQAMQHTLCQIHCLDTRVVGLEDYDEPVDYMGLQVRWWTQQYRDSETPPIPAMERLIQWLPLHLPKHQRTTLIHGSFRLENLVFHAEKPEVVAVMDWGRSRLGDPLIDLTFSCMGHCLPQDNPLLTGISDRGLVQLGIPTVEEVMGQYCSSMGLEEGIPDWNFYMAFHLFCLAASHQGESKSTIAGTRT |