| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: CIT_A_3(3PKO) / Model_11(3PKO/A) = [3.1]
| Download | 830.10 | -3.94 | MKLNFLYANMQKDIDSVEKELKKALSGAAADTTSAAALHLLEAGGKRIRPMFVCLSARLAANADFNAVKNASVAIELIHMASIVHDDVVDDADLRRGRETIKSKWGNHIAMYTGDFLFAKSLEYMTEIKDVAAHKMLSHVTVELSTGEIEQLKDKYNFDQSVRNYLRRIKRKTALLIAASCGLGGVVSGQSEADYQKLYRFGYYVGMAFQITDDVLDFVGTEKELGKPAGEDLRQGNVTLPVFFAMEDPFLKKRISQITEETPAEEIAVLVEEVKKTGAKQAEDVATTYLKKAVEILDSLPQVPELKPLKQIVRVLDKRNY |
| Complex: IPE_B_7(3OYR) / Model_23(3OYR/B) = [3.4]
| Download | 653.29 | 10.34 | MKLNFLYANMQKDIDSVEKELKKALSGAAADTTSAAALHLLEAGGKRIRPMFVCLSARLAANADFNAVKNASVAIELIHMASIVHDDVVDDADLRRGRETIKSKWGNHIAMYTGDFLFAKSLEYMTEIKDVAAHKMLSHVTVELSTGEIEQLKDKYNFDQSVRNYLRRIKRKTALLIAASCGLGGVVSGQSEADYQKLYRFGYYVGMAFQITDDVLDFVGTEKELGKPAGEDLRQGNVTLPVFFAMEDPFLKKRISQITEETPAEEIAVLVEEVKKTGAKQAEDVATTYLKKAVEILDSLPQVPELKPLKQIVRVLDKRNY |
| Complex: POP_A_3(3OYR) / Model_63(3OYR/A) = [3.4]
| Download | 753.00 | 6.00 | MKLNFLYANMQKDIDSVEKELKKALSGAAADTTSAAALHLLEAGGKRIRPMFVCLSARLAANADFNAVKNASVAIELIHMASIVHDDVVDDADLRRGRETIKSKWGNHIAMYTGDFLFAKSLEYMTEIKDVAAHKMLSHVTVELSTGEIEQLKDKYNFDQSVRNYLRRIKRKTALLIAASCGLGGVVSGQSEADYQKLYRFGYYVGMAFQITDDVLDFVGTEKELGKPAGEDLRQGNVTLPVFFAMEDPFLKKRISQITEETPAEEIAVLVEEVKKTGAKQAEDVATTYLKKAVEILDSLPQVPELKPLKQIVRVLDKRNY |
| Complex: POP_A_3(3OYR) / Model_67(3OYR/A) = [3.4]
| Download | 804.87 | 6.00 | MKLNFLYANMQKDIDSVEKELKKALSGAAADTTSAAALHLLEAGGKRIRPMFVCLSARLAANADFNAVKNASVAIELIHMASIVHDDVVDDADLRRGRETIKSKWGNHIAMYTGDFLFAKSLEYMTEIKDVAAHKMLSHVTVELSTGEIEQLKDKYNFDQSVRNYLRRIKRKTALLIAASCGLGGVVSGQSEADYQKLYRFGYYVGMAFQITDDVLDFVGTEKELGKPAGEDLRQGNVTLPVFFAMEDPFLKKRISQITEETPAEEIAVLVEEVKKTGAKQAEDVATTYLKKAVEILDSLPQVPELKPLKQIVRVLDKRNY |
| Complex: IPE_A_3(3WJO) / Model_6(3WJO/A) = [3.6]
| Download | 768.45 | 2.30 | MKLNFLYANMQKDIDSVEKELKKALSGAAADTTSAAALHLLEAGGKRIRPMFVCLSARLAANADFNAVKNASVAIELIHMASIVHDDVVDDADLRRGRETIKSKWGNHIAMYTGDFLFAKSLEYMTEIKDVAAHKMLSHVTVELSTGEIEQLKDKYNFDQSVRNYLRRIKRKTALLIAASCGLGGVVSGQSEADYQKLYRFGYYVGMAFQITDDVLDFVGTEKELGKPAGEDLRQGNVTLPVFFAMEDPFLKKRISQITEETPAEEIAVLVEEVKKTGAKQAEDVATTYLKKAVEILDSLPQVPELKPLKQIVRVLDKRNY |
Consensus
[pKd Mean = 3.38] | - | 761
(s=60) | 4
(s=4) | MKLNFLYANMQKDIDSVEKELKKALSGAAADTTSAAALHLLEAGGKRIRPMFVCLSARLAANADFNAVKNASVAIELIHMASIVHDDVVDDADLRRGRETIKSKWGNHIAMYTGDFLFAKSLEYMTEIKDVAAHKMLSHVTVELSTGEIEQLKDKYNFDQSVRNYLRRIKRKTALLIAASCGLGGVVSGQSEADYQKLYRFGYYVGMAFQITDDVLDFVGTEKELGKPAGEDLRQGNVTLPVFFAMEDPFLKKRISQITEETPAEEIAVLVEEVKKTGAKQAEDVATTYLKKAVEILDSLPQVPELKPLKQIVRVLDKRNY |