| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C5_S1 |
| Complex: 3SY_A_2(4RMF) / Model_7(4RMF/A) = [3.3]
| Download | 844.51 | 5.19 | MRSHFCTEISEKDVGKTIKVAGWCNTYRDHGGVVFIDLRDKSGLVQLVCDPSSKAYEKALEVRSEFVLVAKGKARLRGAGLENPKLKTGKIEIVLEELVIENKSATPPIEIGNKSVNEDLRLKYRYLDLRSLNAYEIFKLRSEVALITRNALAQKGFLEIETPILSKTTPEGARDYLVPSRVHEGEFFALPQSPQLFKQLLMVGGMDRYFQIARCFRDEDLRADRQPEFTQIDAEMSFCDEDDVMGVVEDLLQEIFKAIGHTISKPFKRMPYKEAMENYGSDKPDLRFELPLIEVGDCFMDSSNSIFSNIAQDPKDKRIKALNVKGADAVFSRSVLKELEEFVRQFGAKGLAYLQIKEDGIKGPLVKFLSEKGLKNILERTDAQVGDIVFFGAGDKKIVLDYMGRLRLKVAETLDLIDKDALNFLWVVHFPMFEKTENGYHAAHHPFTMPKNIECEDIEEIEAHAYDVVLNGVELGGGSIRIHKEEMQKKVFEKININEEEAQKKFGFLLEALKFGAPPHGGFAIGFDRLIMLMTKSNSIRDVIAFPKTQKASCLLTDAPSPINEEQLRELHIRLRKPI |
| Complex: ASP_A_3(4O2D) / Model_6(4O2D/A) = [3.6]
| Download | 17948.25 | 24.04 | MRSHFCTEISEKDVGKTIKVAGWCNTYRDHGGVVFIDLRDKSGLVQLVCDPSSKAYEKALEVRSEFVLVAKGKARLRGAGLENPKLKTGKIEIVLEELVIENKSATPPIEIGNKSVNEDLRLKYRYLDLRSLNAYEIFKLRSEVALITRNALAQKGFLEIETPILSKTTPEGARDYLVPSRVHEGEFFALPQSPQLFKQLLMVGGMDRYFQIARCFRDEDLRADRQPEFTQIDAEMSFCDEDDVMGVVEDLLQEIFKAIGHTISKPFKRMPYKEAMENYGSDKPDLRFELPLIEVGDCFMDSSNSIFSNIAQDPKDKRIKALNVKGADAVFSRSVLKELEEFVRQFGAKGLAYLQIKEDGIKGPLVKFLSEKGLKNILERTDAQVGDIVFFGAGDKKIVLDYMGRLRLKVAETLDLIDKDALNFLWVVHFPMFEKTENGYHAAHHPFTMPKNIECEDIEEIEAHAYDVVLNGVELGGGSIRIHKEEMQKKVFEKININEEEAQKKFGFLLEALKFGAPPHGGFAIGFDRLIMLMTKSNSIRDVIAFPKTQKASCLLTDAPSPINEEQLRELHIRLRKPI |
| Complex: ASP_B_6(4O2D) / Model_24(4O2D/B) = [3.8]
| Download | 12622.75 | 24.56 | MRSHFCTEISEKDVGKTIKVAGWCNTYRDHGGVVFIDLRDKSGLVQLVCDPSSKAYEKALEVRSEFVLVAKGKARLRGAGLENPKLKTGKIEIVLEELVIENKSATPPIEIGNKSVNEDLRLKYRYLDLRSLNAYEIFKLRSEVALITRNALAQKGFLEIETPILSKTTPEGARDYLVPSRVHEGEFFALPQSPQLFKQLLMVGGMDRYFQIARCFRDEDLRADRQPEFTQIDAEMSFCDEDDVMGVVEDLLQEIFKAIGHTISKPFKRMPYKEAMENYGSDKPDLRFELPLIEVGDCFMDSSNSIFSNIAQDPKDKRIKALNVKGADAVFSRSVLKELEEFVRQFGAKGLAYLQIKEDGIKGPLVKFLSEKGLKNILERTDAQVGDIVFFGAGDKKIVLDYMGRLRLKVAETLDLIDKDALNFLWVVHFPMFEKTENGYHAAHHPFTMPKNIECEDIEEIEAHAYDVVLNGVELGGGSIRIHKEEMQKKVFEKININEEEAQKKFGFLLEALKFGAPPHGGFAIGFDRLIMLMTKSNSIRDVIAFPKTQKASCLLTDAPSPINEEQLRELHIRLRKPI |
| Complex: AMO_A_3(3NEM) / Model_56(3NEM/A) = [6.7]
| Download | 1071.63 | 12.70 | MRSHFCTEISEKDVGKTIKVAGWCNTYRDHGGVVFIDLRDKSGLVQLVCDPSSKAYEKALEVRSEFVLVAKGKARLRGAGLENPKLKTGKIEIVLEELVIENKSATPPIEIGNKSVNEDLRLKYRYLDLRSLNAYEIFKLRSEVALITRNALAQKGFLEIETPILSKTTPEGARDYLVPSRVHEGEFFALPQSPQLFKQLLMVGGMDRYFQIARCFRDEDLRADRQPEFTQIDAEMSFCDEDDVMGVVEDLLQEIFKAIGHTISKPFKRMPYKEAMENYGSDKPDLRFELPLIEVGDCFMDSSNSIFSNIAQDPKDKRIKALNVKGADAVFSRSVLKELEEFVRQFGAKGLAYLQIKEDGIKGPLVKFLSEKGLKNILERTDAQVGDIVFFGAGDKKIVLDYMGRLRLKVAETLDLIDKDALNFLWVVHFPMFEKTENGYHAAHHPFTMPKNIECEDIEEIEAHAYDVVLNGVELGGGSIRIHKEEMQKKVFEKININEEEAQKKFGFLLEALKFGAPPHGGFAIGFDRLIMLMTKSNSIRDVIAFPKTQKASCLLTDAPSPINEEQLRELHIRLRKPI |
| Complex: AMO_E_5(1G51) / Model_9(1G51/A) = [7.5]
| Download | 776.87 | 4.23 | MRSHFCTEISEKDVGKTIKVAGWCNTYRDHGGVVFIDLRDKSGLVQLVCDPSSKAYEKALEVRSEFVLVAKGKARLRGAGLENPKLKTGKIEIVLEELVIENKSATPPIEIGNKSVNEDLRLKYRYLDLRSLNAYEIFKLRSEVALITRNALAQKGFLEIETPILSKTTPEGARDYLVPSRVHEGEFFALPQSPQLFKQLLMVGGMDRYFQIARCFRDEDLRADRQPEFTQIDAEMSFCDEDDVMGVVEDLLQEIFKAIGHTISKPFKRMPYKEAMENYGSDKPDLRFELPLIEVGDCFMDSSNSIFSNIAQDPKDKRIKALNVKGADAVFSRSVLKELEEFVRQFGAKGLAYLQIKEDGIKGPLVKFLSEKGLKNILERTDAQVGDIVFFGAGDKKIVLDYMGRLRLKVAETLDLIDKDALNFLWVVHFPMFEKTENGYHAAHHPFTMPKNIECEDIEEIEAHAYDVVLNGVELGGGSIRIHKEEMQKKVFEKININEEEAQKKFGFLLEALKFGAPPHGGFAIGFDRLIMLMTKSNSIRDVIAFPKTQKASCLLTDAPSPINEEQLRELHIRLRKPI |
Consensus
[pKd Mean = 4.98] | - | 6652
(s=7247) | 14
(s=8) | MRSHFCTEISEKDVGKTIKVAGWCNTYRDHGGVVFIDLRDKSGLVQLVCDPSSKAYEKALEVRSEFVLVAKGKARLRGAGLENPKLKTGKIEIVLEELVIENKSATPPIEIGNKSVNEDLRLKYRYLDLRSLNAYEIFKLRSEVALITRNALAQKGFLEIETPILSKTTPEGARDYLVPSRVHEGEFFALPQSPQLFKQLLMVGGMDRYFQIARCFRDEDLRADRQPEFTQIDAEMSFCDEDDVMGVVEDLLQEIFKAIGHTISKPFKRMPYKEAMENYGSDKPDLRFELPLIEVGDCFMDSSNSIFSNIAQDPKDKRIKALNVKGADAVFSRSVLKELEEFVRQFGAKGLAYLQIKEDGIKGPLVKFLSEKGLKNILERTDAQVGDIVFFGAGDKKIVLDYMGRLRLKVAETLDLIDKDALNFLWVVHFPMFEKTENGYHAAHHPFTMPKNIECEDIEEIEAHAYDVVLNGVELGGGSIRIHKEEMQKKVFEKININEEEAQKKFGFLLEALKFGAPPHGGFAIGFDRLIMLMTKSNSIRDVIAFPKTQKASCLLTDAPSPINEEQLRELHIRLRKPI |