| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: TLA_A_3(4MRQ) / Model_5(4MRQ/A) = [3.7]
| Download | 672.33 | -19.53 | MGKYFGTDGVRGVANSELTPELAFKVGRFGGYVLTKDKQRPKVLIGRDTRISGHMLEGALVAGLLSIGAEVMRLGVISTPGVSYLTKAMDAEAGVMISASHNPVQDNGIKFFGGDGFKLSDEQEAEIERLMDEPEDKLPRPVGADLGLVNDYFEGGQKYLQFLKQTADEDFTGIHVALDCANGATSSLATHLFADLDADVSTMGTSPNGLNINDGVGSTHPEALSAFVKEKNADLGLAFDGDGDRLIAVDEKGNIVDGDQIMYICSKHLKSEGRLKDDTVVSTVMSNLGFYKALEKEGIKSVQTAVGDRYVVEAMKKDGYNVGGEQSGHLIFLDYNTTGDGLLSAIMLMNTLKATGKPLSELAAEMQKFPQLLVNVRVTDKYKVEENEKVKAVISEVEKEMNGDGRILVRPSGTEPLVRVMAEAKTKELCDEYVNRIVEVVRSEMGLE |
| Complex: R1P_X_2(2H4L) / Model_13(2H4L/X) = [3.9]
| Download | 674.68 | -3.96 | MGKYFGTDGVRGVANSELTPELAFKVGRFGGYVLTKDKQRPKVLIGRDTRISGHMLEGALVAGLLSIGAEVMRLGVISTPGVSYLTKAMDAEAGVMISASHNPVQDNGIKFFGGDGFKLSDEQEAEIERLMDEPEDKLPRPVGADLGLVNDYFEGGQKYLQFLKQTADEDFTGIHVALDCANGATSSLATHLFADLDADVSTMGTSPNGLNINDGVGSTHPEALSAFVKEKNADLGLAFDGDGDRLIAVDEKGNIVDGDQIMYICSKHLKSEGRLKDDTVVSTVMSNLGFYKALEKEGIKSVQTAVGDRYVVEAMKKDGYNVGGEQSGHLIFLDYNTTGDGLLSAIMLMNTLKATGKPLSELAAEMQKFPQLLVNVRVTDKYKVEENEKVKAVISEVEKEMNGDGRILVRPSGTEPLVRVMAEAKTKELCDEYVNRIVEVVRSEMGLE |
| Complex: G16_A_2(2FKF) / Model_7(2FKF/A) = [4.1]
| Download | 1252.35 | -5.48 | MGKYFGTDGVRGVANSELTPELAFKVGRFGGYVLTKDKQRPKVLIGRDTRISGHMLEGALVAGLLSIGAEVMRLGVISTPGVSYLTKAMDAEAGVMISASHNPVQDNGIKFFGGDGFKLSDEQEAEIERLMDEPEDKLPRPVGADLGLVNDYFEGGQKYLQFLKQTADEDFTGIHVALDCANGATSSLATHLFADLDADVSTMGTSPNGLNINDGVGSTHPEALSAFVKEKNADLGLAFDGDGDRLIAVDEKGNIVDGDQIMYICSKHLKSEGRLKDDTVVSTVMSNLGFYKALEKEGIKSVQTAVGDRYVVEAMKKDGYNVGGEQSGHLIFLDYNTTGDGLLSAIMLMNTLKATGKPLSELAAEMQKFPQLLVNVRVTDKYKVEENEKVKAVISEVEKEMNGDGRILVRPSGTEPLVRVMAEAKTKELCDEYVNRIVEVVRSEMGLE |
| Complex: M6P_X_3(1PCM) / Model_12(1PCM/X) = [4.5]
| Download | 781.19 | -0.91 | MGKYFGTDGVRGVANSELTPELAFKVGRFGGYVLTKDKQRPKVLIGRDTRISGHMLEGALVAGLLSIGAEVMRLGVISTPGVSYLTKAMDAEAGVMISASHNPVQDNGIKFFGGDGFKLSDEQEAEIERLMDEPEDKLPRPVGADLGLVNDYFEGGQKYLQFLKQTADEDFTGIHVALDCANGATSSLATHLFADLDADVSTMGTSPNGLNINDGVGSTHPEALSAFVKEKNADLGLAFDGDGDRLIAVDEKGNIVDGDQIMYICSKHLKSEGRLKDDTVVSTVMSNLGFYKALEKEGIKSVQTAVGDRYVVEAMKKDGYNVGGEQSGHLIFLDYNTTGDGLLSAIMLMNTLKATGKPLSELAAEMQKFPQLLVNVRVTDKYKVEENEKVKAVISEVEKEMNGDGRILVRPSGTEPLVRVMAEAKTKELCDEYVNRIVEVVRSEMGLE |
| Complex: X1P_X_3(2H5A) / Model_14(2H5A/X) = [4.6]
| Download | 451.36 | 2.00 | MGKYFGTDGVRGVANSELTPELAFKVGRFGGYVLTKDKQRPKVLIGRDTRISGHMLEGALVAGLLSIGAEVMRLGVISTPGVSYLTKAMDAEAGVMISASHNPVQDNGIKFFGGDGFKLSDEQEAEIERLMDEPEDKLPRPVGADLGLVNDYFEGGQKYLQFLKQTADEDFTGIHVALDCANGATSSLATHLFADLDADVSTMGTSPNGLNINDGVGSTHPEALSAFVKEKNADLGLAFDGDGDRLIAVDEKGNIVDGDQIMYICSKHLKSEGRLKDDTVVSTVMSNLGFYKALEKEGIKSVQTAVGDRYVVEAMKKDGYNVGGEQSGHLIFLDYNTTGDGLLSAIMLMNTLKATGKPLSELAAEMQKFPQLLVNVRVTDKYKVEENEKVKAVISEVEKEMNGDGRILVRPSGTEPLVRVMAEAKTKELCDEYVNRIVEVVRSEMGLE |
Consensus
[pKd Mean = 4.16] | - | 766
(s=265) | -5
(s=7) | MGKYFGTDGVRGVANSELTPELAFKVGRFGGYVLTKDKQRPKVLIGRDTRISGHMLEGALVAGLLSIGAEVMRLGVISTPGVSYLTKAMDAEAGVMISASHNPVQDNGIKFFGGDGFKLSDEQEAEIERLMDEPEDKLPRPVGADLGLVNDYFEGGQKYLQFLKQTADEDFTGIHVALDCANGATSSLATHLFADLDADVSTMGTSPNGLNINDGVGSTHPEALSAFVKEKNADLGLAFDGDGDRLIAVDEKGNIVDGDQIMYICSKHLKSEGRLKDDTVVSTVMSNLGFYKALEKEGIKSVQTAVGDRYVVEAMKKDGYNVGGEQSGHLIFLDYNTTGDGLLSAIMLMNTLKATGKPLSELAAEMQKFPQLLVNVRVTDKYKVEENEKVKAVISEVEKEMNGDGRILVRPSGTEPLVRVMAEAKTKELCDEYVNRIVEVVRSEMGLE |