Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
Complex: 1OV_A_7(4K5M) / Model_23(4K5M/A) = [3.2]
| Download | 626.46 | 16.05 | MRTEQPKVIHLKDYQAPDYLIDETHLKFELFEDHSLVHAELKLRRNPERGAGLPPLLLHGQQLELLALELDGQALGADDYQLDDEQLGVQPRQAEFVLRSTVRIHPESNTALEGLYKSGKMFCTQCEAEGFRKITYYLDRPDVMSRFTTTVSAEQQRYPVLLSNGNPVASGSEGNGRHWATWEDPFKKPAYLFALVAGDLWCVEDSFRTMSQRDVALRIYVEPENIDKVQHAMDSLKKSMRWDEEVYGREYDLDIFMIVAVNDFNMGAMENKGLNIFNSSCVLARAETATDAAHQRVEGVVAHEYFHNWSGNRVTCRDWFQLSLKEGFTVFRDSEFSADMNSRTVKRVEDVAFLRTNQFAEDAGPMAHPVRPDSFIEISNFYTLTVYEKGSEVVRMIHTLLGAEGFRKGSDLYFQRHDGQAVTCDDFVKAMEDANGVDLTQFKRWYSQSGTPRLAVEGEYDAAARRYTLTVRQSCPPTPGQPSKEPFVIPLELGLLDGQGHELPLRLEGEAVAQGGNRVLAVTEAEQRFVFVEVPEQPLPSLLRGFSAPVKLSFPYSRDQLLFLMQHDSDGFNRWEAGQQLSVQVLQELIGQHQRGEQLVLDPRLIEAYRTLLADEALDQAMVAEMLSLPSEAYLTEISEVADVDAIHAAREFARQRIGEALFEPLWQRYQANRKISRDTAYLAEASHIARRSLQNIALSYLSLSGREEILAACLEQYEGCDNMTERLTALAVLVNSGFEAEKGKALAMFADYFKDDPLVMDQWFSVQAGSPLPGGLERVQELMQHPAFTLKNPNKVRALIGAFANQNLVNFHRPDGAGYRFLADQVIVLNALNPQIASRLLVPLTRWRKYDEARQALMRGELERILASGELSSDVYEVVSKSLA |
Complex: 1OS_A_7(4K5P) / Model_30(4K5P/A) = [3.2]
| Download | 578.70 | 16.05 | MRTEQPKVIHLKDYQAPDYLIDETHLKFELFEDHSLVHAELKLRRNPERGAGLPPLLLHGQQLELLALELDGQALGADDYQLDDEQLGVQPRQAEFVLRSTVRIHPESNTALEGLYKSGKMFCTQCEAEGFRKITYYLDRPDVMSRFTTTVSAEQQRYPVLLSNGNPVASGSEGNGRHWATWEDPFKKPAYLFALVAGDLWCVEDSFRTMSQRDVALRIYVEPENIDKVQHAMDSLKKSMRWDEEVYGREYDLDIFMIVAVNDFNMGAMENKGLNIFNSSCVLARAETATDAAHQRVEGVVAHEYFHNWSGNRVTCRDWFQLSLKEGFTVFRDSEFSADMNSRTVKRVEDVAFLRTNQFAEDAGPMAHPVRPDSFIEISNFYTLTVYEKGSEVVRMIHTLLGAEGFRKGSDLYFQRHDGQAVTCDDFVKAMEDANGVDLTQFKRWYSQSGTPRLAVEGEYDAAARRYTLTVRQSCPPTPGQPSKEPFVIPLELGLLDGQGHELPLRLEGEAVAQGGNRVLAVTEAEQRFVFVEVPEQPLPSLLRGFSAPVKLSFPYSRDQLLFLMQHDSDGFNRWEAGQQLSVQVLQELIGQHQRGEQLVLDPRLIEAYRTLLADEALDQAMVAEMLSLPSEAYLTEISEVADVDAIHAAREFARQRIGEALFEPLWQRYQANRKISRDTAYLAEASHIARRSLQNIALSYLSLSGREEILAACLEQYEGCDNMTERLTALAVLVNSGFEAEKGKALAMFADYFKDDPLVMDQWFSVQAGSPLPGGLERVQELMQHPAFTLKNPNKVRALIGAFANQNLVNFHRPDGAGYRFLADQVIVLNALNPQIASRLLVPLTRWRKYDEARQALMRGELERILASGELSSDVYEVVSKSLA |
Complex: PHE_A_5(3B34) / Model_74(3B34/A) = [3.3]
| Download | 16765.41 | 28.31 | MRTEQPKVIHLKDYQAPDYLIDETHLKFELFEDHSLVHAELKLRRNPERGAGLPPLLLHGQQLELLALELDGQALGADDYQLDDEQLGVQPRQAEFVLRSTVRIHPESNTALEGLYKSGKMFCTQCEAEGFRKITYYLDRPDVMSRFTTTVSAEQQRYPVLLSNGNPVASGSEGNGRHWATWEDPFKKPAYLFALVAGDLWCVEDSFRTMSQRDVALRIYVEPENIDKVQHAMDSLKKSMRWDEEVYGREYDLDIFMIVAVNDFNMGAMENKGLNIFNSSCVLARAETATDAAHQRVEGVVAHEYFHNWSGNRVTCRDWFQLSLKEGFTVFRDSEFSADMNSRTVKRVEDVAFLRTNQFAEDAGPMAHPVRPDSFIEISNFYTLTVYEKGSEVVRMIHTLLGAEGFRKGSDLYFQRHDGQAVTCDDFVKAMEDANGVDLTQFKRWYSQSGTPRLAVEGEYDAAARRYTLTVRQSCPPTPGQPSKEPFVIPLELGLLDGQGHELPLRLEGEAVAQGGNRVLAVTEAEQRFVFVEVPEQPLPSLLRGFSAPVKLSFPYSRDQLLFLMQHDSDGFNRWEAGQQLSVQVLQELIGQHQRGEQLVLDPRLIEAYRTLLADEALDQAMVAEMLSLPSEAYLTEISEVADVDAIHAAREFARQRIGEALFEPLWQRYQANRKISRDTAYLAEASHIARRSLQNIALSYLSLSGREEILAACLEQYEGCDNMTERLTALAVLVNSGFEAEKGKALAMFADYFKDDPLVMDQWFSVQAGSPLPGGLERVQELMQHPAFTLKNPNKVRALIGAFANQNLVNFHRPDGAGYRFLADQVIVLNALNPQIASRLLVPLTRWRKYDEARQALMRGELERILASGELSSDVYEVVSKSLA |
Complex: GOL_A_13(3B2X) / Model_8(3B2X/A) = [3.3]
| Download | 640.04 | 23.38 | MRTEQPKVIHLKDYQAPDYLIDETHLKFELFEDHSLVHAELKLRRNPERGAGLPPLLLHGQQLELLALELDGQALGADDYQLDDEQLGVQPRQAEFVLRSTVRIHPESNTALEGLYKSGKMFCTQCEAEGFRKITYYLDRPDVMSRFTTTVSAEQQRYPVLLSNGNPVASGSEGNGRHWATWEDPFKKPAYLFALVAGDLWCVEDSFRTMSQRDVALRIYVEPENIDKVQHAMDSLKKSMRWDEEVYGREYDLDIFMIVAVNDFNMGAMENKGLNIFNSSCVLARAETATDAAHQRVEGVVAHEYFHNWSGNRVTCRDWFQLSLKEGFTVFRDSEFSADMNSRTVKRVEDVAFLRTNQFAEDAGPMAHPVRPDSFIEISNFYTLTVYEKGSEVVRMIHTLLGAEGFRKGSDLYFQRHDGQAVTCDDFVKAMEDANGVDLTQFKRWYSQSGTPRLAVEGEYDAAARRYTLTVRQSCPPTPGQPSKEPFVIPLELGLLDGQGHELPLRLEGEAVAQGGNRVLAVTEAEQRFVFVEVPEQPLPSLLRGFSAPVKLSFPYSRDQLLFLMQHDSDGFNRWEAGQQLSVQVLQELIGQHQRGEQLVLDPRLIEAYRTLLADEALDQAMVAEMLSLPSEAYLTEISEVADVDAIHAAREFARQRIGEALFEPLWQRYQANRKISRDTAYLAEASHIARRSLQNIALSYLSLSGREEILAACLEQYEGCDNMTERLTALAVLVNSGFEAEKGKALAMFADYFKDDPLVMDQWFSVQAGSPLPGGLERVQELMQHPAFTLKNPNKVRALIGAFANQNLVNFHRPDGAGYRFLADQVIVLNALNPQIASRLLVPLTRWRKYDEARQALMRGELERILASGELSSDVYEVVSKSLA |
Complex: PHE_A_5(3B34) / Model_9(3B34/A) = [3.3]
| Download | 15183.29 | 29.72 | MRTEQPKVIHLKDYQAPDYLIDETHLKFELFEDHSLVHAELKLRRNPERGAGLPPLLLHGQQLELLALELDGQALGADDYQLDDEQLGVQPRQAEFVLRSTVRIHPESNTALEGLYKSGKMFCTQCEAEGFRKITYYLDRPDVMSRFTTTVSAEQQRYPVLLSNGNPVASGSEGNGRHWATWEDPFKKPAYLFALVAGDLWCVEDSFRTMSQRDVALRIYVEPENIDKVQHAMDSLKKSMRWDEEVYGREYDLDIFMIVAVNDFNMGAMENKGLNIFNSSCVLARAETATDAAHQRVEGVVAHEYFHNWSGNRVTCRDWFQLSLKEGFTVFRDSEFSADMNSRTVKRVEDVAFLRTNQFAEDAGPMAHPVRPDSFIEISNFYTLTVYEKGSEVVRMIHTLLGAEGFRKGSDLYFQRHDGQAVTCDDFVKAMEDANGVDLTQFKRWYSQSGTPRLAVEGEYDAAARRYTLTVRQSCPPTPGQPSKEPFVIPLELGLLDGQGHELPLRLEGEAVAQGGNRVLAVTEAEQRFVFVEVPEQPLPSLLRGFSAPVKLSFPYSRDQLLFLMQHDSDGFNRWEAGQQLSVQVLQELIGQHQRGEQLVLDPRLIEAYRTLLADEALDQAMVAEMLSLPSEAYLTEISEVADVDAIHAAREFARQRIGEALFEPLWQRYQANRKISRDTAYLAEASHIARRSLQNIALSYLSLSGREEILAACLEQYEGCDNMTERLTALAVLVNSGFEAEKGKALAMFADYFKDDPLVMDQWFSVQAGSPLPGGLERVQELMQHPAFTLKNPNKVRALIGAFANQNLVNFHRPDGAGYRFLADQVIVLNALNPQIASRLLVPLTRWRKYDEARQALMRGELERILASGELSSDVYEVVSKSLA |
Consensus [pKd Mean = 3.26] | - | 6758 (s=7541) | 22 (s=5) | MRTEQPKVIHLKDYQAPDYLIDETHLKFELFEDHSLVHAELKLRRNPERGAGLPPLLLHGQQLELLALELDGQALGADDYQLDDEQLGVQPRQAEFVLRSTVRIHPESNTALEGLYKSGKMFCTQCEAEGFRKITYYLDRPDVMSRFTTTVSAEQQRYPVLLSNGNPVASGSEGNGRHWATWEDPFKKPAYLFALVAGDLWCVEDSFRTMSQRDVALRIYVEPENIDKVQHAMDSLKKSMRWDEEVYGREYDLDIFMIVAVNDFNMGAMENKGLNIFNSSCVLARAETATDAAHQRVEGVVAHEYFHNWSGNRVTCRDWFQLSLKEGFTVFRDSEFSADMNSRTVKRVEDVAFLRTNQFAEDAGPMAHPVRPDSFIEISNFYTLTVYEKGSEVVRMIHTLLGAEGFRKGSDLYFQRHDGQAVTCDDFVKAMEDANGVDLTQFKRWYSQSGTPRLAVEGEYDAAARRYTLTVRQSCPPTPGQPSKEPFVIPLELGLLDGQGHELPLRLEGEAVAQGGNRVLAVTEAEQRFVFVEVPEQPLPSLLRGFSAPVKLSFPYSRDQLLFLMQHDSDGFNRWEAGQQLSVQVLQELIGQHQRGEQLVLDPRLIEAYRTLLADEALDQAMVAEMLSLPSEAYLTEISEVADVDAIHAAREFARQRIGEALFEPLWQRYQANRKISRDTAYLAEASHIARRSLQNIALSYLSLSGREEILAACLEQYEGCDNMTERLTALAVLVNSGFEAEKGKALAMFADYFKDDPLVMDQWFSVQAGSPLPGGLERVQELMQHPAFTLKNPNKVRALIGAFANQNLVNFHRPDGAGYRFLADQVIVLNALNPQIASRLLVPLTRWRKYDEARQALMRGELERILASGELSSDVYEVVSKSLA |