| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C5_S1 |
| Complex: 1SM_A_7(1T9C) / Model_5(1T9C/A) = [3.5]
| Download | 1166.83 | 62.92 | MELLSGAEMVVRSLRDEGVKYIYGYPGGALLHIYDALFKEHDVTHILVRHEQAATHMADGYARATGKPGVVLVTSGPGATNAITGIATAYMDSIPMVILSGQVPSNMVGTDAFQETDMVGISRPIVKHSFIIKHPSEIPEVIKKAFYLAQSGRPGPVVVDIPKDMGDPTQKFEYSYPKKVKLRSYSPAVRGHSGQIRKAAEMLLAAKRPVVYSGGGVIMGNAAAPLTELAQMLNLPVTNTLMGLGGYPGADRQFLGMLGMHGSFTANLAMHHSDVILAVGARFDDRVINGAAKFCPNAKIIHIDIDPASISKTIKADIPIVGPVDSVLTEMVAIVREIGETPNQDAQAAWWKQIDEWRGNRGLFPYDKGDGSIIKPQTVIETLYEVTHGDAFITSDVGQHQMFASQYYKFNKPNRWINSGGLGTMGFGFPAAMGIKLNFPDDDVACVTGEGSIQMNIQELSTCLQYDLPVKIVNLNNGALGMVRQWQDMQYNSRYSHSYMESLPDFVKLAEAYGHVGMRITDLKDLKPKMEEAFAMKNRLVFLDIQVDASEHVYPMQIRDGAMRDMWLSKTERT |
| Complex: 1SM_B_10(1T9C) / Model_24(1T9C/B) = [3.6]
| Download | 1448.88 | 52.10 | MELLSGAEMVVRSLRDEGVKYIYGYPGGALLHIYDALFKEHDVTHILVRHEQAATHMADGYARATGKPGVVLVTSGPGATNAITGIATAYMDSIPMVILSGQVPSNMVGTDAFQETDMVGISRPIVKHSFIIKHPSEIPEVIKKAFYLAQSGRPGPVVVDIPKDMGDPTQKFEYSYPKKVKLRSYSPAVRGHSGQIRKAAEMLLAAKRPVVYSGGGVIMGNAAAPLTELAQMLNLPVTNTLMGLGGYPGADRQFLGMLGMHGSFTANLAMHHSDVILAVGARFDDRVINGAAKFCPNAKIIHIDIDPASISKTIKADIPIVGPVDSVLTEMVAIVREIGETPNQDAQAAWWKQIDEWRGNRGLFPYDKGDGSIIKPQTVIETLYEVTHGDAFITSDVGQHQMFASQYYKFNKPNRWINSGGLGTMGFGFPAAMGIKLNFPDDDVACVTGEGSIQMNIQELSTCLQYDLPVKIVNLNNGALGMVRQWQDMQYNSRYSHSYMESLPDFVKLAEAYGHVGMRITDLKDLKPKMEEAFAMKNRLVFLDIQVDASEHVYPMQIRDGAMRDMWLSKTERT |
| Complex: CIE_A_7(1N0H) / Model_2(1N0H/A) = [3.7]
| Download | 1490.76 | 65.57 | MELLSGAEMVVRSLRDEGVKYIYGYPGGALLHIYDALFKEHDVTHILVRHEQAATHMADGYARATGKPGVVLVTSGPGATNAITGIATAYMDSIPMVILSGQVPSNMVGTDAFQETDMVGISRPIVKHSFIIKHPSEIPEVIKKAFYLAQSGRPGPVVVDIPKDMGDPTQKFEYSYPKKVKLRSYSPAVRGHSGQIRKAAEMLLAAKRPVVYSGGGVIMGNAAAPLTELAQMLNLPVTNTLMGLGGYPGADRQFLGMLGMHGSFTANLAMHHSDVILAVGARFDDRVINGAAKFCPNAKIIHIDIDPASISKTIKADIPIVGPVDSVLTEMVAIVREIGETPNQDAQAAWWKQIDEWRGNRGLFPYDKGDGSIIKPQTVIETLYEVTHGDAFITSDVGQHQMFASQYYKFNKPNRWINSGGLGTMGFGFPAAMGIKLNFPDDDVACVTGEGSIQMNIQELSTCLQYDLPVKIVNLNNGALGMVRQWQDMQYNSRYSHSYMESLPDFVKLAEAYGHVGMRITDLKDLKPKMEEAFAMKNRLVFLDIQVDASEHVYPMQIRDGAMRDMWLSKTERT |
| Complex: 1TB_A_7(1T9A) / Model_3(1T9A/A) = [3.8]
| Download | 1589.00 | 49.93 | MELLSGAEMVVRSLRDEGVKYIYGYPGGALLHIYDALFKEHDVTHILVRHEQAATHMADGYARATGKPGVVLVTSGPGATNAITGIATAYMDSIPMVILSGQVPSNMVGTDAFQETDMVGISRPIVKHSFIIKHPSEIPEVIKKAFYLAQSGRPGPVVVDIPKDMGDPTQKFEYSYPKKVKLRSYSPAVRGHSGQIRKAAEMLLAAKRPVVYSGGGVIMGNAAAPLTELAQMLNLPVTNTLMGLGGYPGADRQFLGMLGMHGSFTANLAMHHSDVILAVGARFDDRVINGAAKFCPNAKIIHIDIDPASISKTIKADIPIVGPVDSVLTEMVAIVREIGETPNQDAQAAWWKQIDEWRGNRGLFPYDKGDGSIIKPQTVIETLYEVTHGDAFITSDVGQHQMFASQYYKFNKPNRWINSGGLGTMGFGFPAAMGIKLNFPDDDVACVTGEGSIQMNIQELSTCLQYDLPVKIVNLNNGALGMVRQWQDMQYNSRYSHSYMESLPDFVKLAEAYGHVGMRITDLKDLKPKMEEAFAMKNRLVFLDIQVDASEHVYPMQIRDGAMRDMWLSKTERT |
| Complex: CIE_B_11(1N0H) / Model_27(1N0H/B) = [3.9]
| Download | 1591.68 | 60.08 | MELLSGAEMVVRSLRDEGVKYIYGYPGGALLHIYDALFKEHDVTHILVRHEQAATHMADGYARATGKPGVVLVTSGPGATNAITGIATAYMDSIPMVILSGQVPSNMVGTDAFQETDMVGISRPIVKHSFIIKHPSEIPEVIKKAFYLAQSGRPGPVVVDIPKDMGDPTQKFEYSYPKKVKLRSYSPAVRGHSGQIRKAAEMLLAAKRPVVYSGGGVIMGNAAAPLTELAQMLNLPVTNTLMGLGGYPGADRQFLGMLGMHGSFTANLAMHHSDVILAVGARFDDRVINGAAKFCPNAKIIHIDIDPASISKTIKADIPIVGPVDSVLTEMVAIVREIGETPNQDAQAAWWKQIDEWRGNRGLFPYDKGDGSIIKPQTVIETLYEVTHGDAFITSDVGQHQMFASQYYKFNKPNRWINSGGLGTMGFGFPAAMGIKLNFPDDDVACVTGEGSIQMNIQELSTCLQYDLPVKIVNLNNGALGMVRQWQDMQYNSRYSHSYMESLPDFVKLAEAYGHVGMRITDLKDLKPKMEEAFAMKNRLVFLDIQVDASEHVYPMQIRDGAMRDMWLSKTERT |
Consensus
[pKd Mean = 3.70] | - | 1457
(s=155) | 58
(s=6) | MELLSGAEMVVRSLRDEGVKYIYGYPGGALLHIYDALFKEHDVTHILVRHEQAATHMADGYARATGKPGVVLVTSGPGATNAITGIATAYMDSIPMVILSGQVPSNMVGTDAFQETDMVGISRPIVKHSFIIKHPSEIPEVIKKAFYLAQSGRPGPVVVDIPKDMGDPTQKFEYSYPKKVKLRSYSPAVRGHSGQIRKAAEMLLAAKRPVVYSGGGVIMGNAAAPLTELAQMLNLPVTNTLMGLGGYPGADRQFLGMLGMHGSFTANLAMHHSDVILAVGARFDDRVINGAAKFCPNAKIIHIDIDPASISKTIKADIPIVGPVDSVLTEMVAIVREIGETPNQDAQAAWWKQIDEWRGNRGLFPYDKGDGSIIKPQTVIETLYEVTHGDAFITSDVGQHQMFASQYYKFNKPNRWINSGGLGTMGFGFPAAMGIKLNFPDDDVACVTGEGSIQMNIQELSTCLQYDLPVKIVNLNNGALGMVRQWQDMQYNSRYSHSYMESLPDFVKLAEAYGHVGMRITDLKDLKPKMEEAFAMKNRLVFLDIQVDASEHVYPMQIRDGAMRDMWLSKTERT |