Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
Complex: EDO_A_16(3CSV) / Model_68(3CSV/A) = [3.1]
| Download | 524.48 | 15.67 | MAAPAQSEQMRRLAGLLGVKLDPFSTGGESLTFGITGTELLVTIPTEPGEQDVQRQAELTRRVADRISIPVPEIVRVVAEAEAVVVRRLPGVPLIAVPTPQRAALTRSVALAVGTVLAELHTWDRDGYADLAPVDEYSPEEWRAETAELVSDLTPLLTTDQRDDVRRFLGRPAPRPAGRHVLSHNDLGIEHILVSPDAVTGVIDWNDAAITDPAYDFGLLLRDLGPEALRTALARYAHQIGGDPELLERASYYAVCALLEDLAFGHETGRVEYVAKSLHGWRWTFQAAG |
Complex: EDO_A_16(3CSV) / Model_36(3CSV/A) = [3.1]
| Download | 757.97 | 7.75 | MAAPAQSEQMRRLAGLLGVKLDPFSTGGESLTFGITGTELLVTIPTEPGEQDVQRQAELTRRVADRISIPVPEIVRVVAEAEAVVVRRLPGVPLIAVPTPQRAALTRSVALAVGTVLAELHTWDRDGYADLAPVDEYSPEEWRAETAELVSDLTPLLTTDQRDDVRRFLGRPAPRPAGRHVLSHNDLGIEHILVSPDAVTGVIDWNDAAITDPAYDFGLLLRDLGPEALRTALARYAHQIGGDPELLERASYYAVCALLEDLAFGHETGRVEYVAKSLHGWRWTFQAAG |
Complex: 51G_A_6(5IQC) / Model_62(5IQC/A) = [3.2]
| Download | 2301.54 | -3.00 | MAAPAQSEQMRRLAGLLGVKLDPFSTGGESLTFGITGTELLVTIPTEPGEQDVQRQAELTRRVADRISIPVPEIVRVVAEAEAVVVRRLPGVPLIAVPTPQRAALTRSVALAVGTVLAELHTWDRDGYADLAPVDEYSPEEWRAETAELVSDLTPLLTTDQRDDVRRFLGRPAPRPAGRHVLSHNDLGIEHILVSPDAVTGVIDWNDAAITDPAYDFGLLLRDLGPEALRTALARYAHQIGGDPELLERASYYAVCALLEDLAFGHETGRVEYVAKSLHGWRWTFQAAG |
Complex: GMP_A_2(5IGI) / Model_61(5IGI/A) = [3.4]
| Download | 1560.96 | 11.83 | MAAPAQSEQMRRLAGLLGVKLDPFSTGGESLTFGITGTELLVTIPTEPGEQDVQRQAELTRRVADRISIPVPEIVRVVAEAEAVVVRRLPGVPLIAVPTPQRAALTRSVALAVGTVLAELHTWDRDGYADLAPVDEYSPEEWRAETAELVSDLTPLLTTDQRDDVRRFLGRPAPRPAGRHVLSHNDLGIEHILVSPDAVTGVIDWNDAAITDPAYDFGLLLRDLGPEALRTALARYAHQIGGDPELLERASYYAVCALLEDLAFGHETGRVEYVAKSLHGWRWTFQAAG |
Complex: ADP_A_6(2OLC) / Model_35(2OLC/A) = [3.5]
| Download | 1353.67 | 25.27 | MAAPAQSEQMRRLAGLLGVKLDPFSTGGESLTFGITGTELLVTIPTEPGEQDVQRQAELTRRVADRISIPVPEIVRVVAEAEAVVVRRLPGVPLIAVPTPQRAALTRSVALAVGTVLAELHTWDRDGYADLAPVDEYSPEEWRAETAELVSDLTPLLTTDQRDDVRRFLGRPAPRPAGRHVLSHNDLGIEHILVSPDAVTGVIDWNDAAITDPAYDFGLLLRDLGPEALRTALARYAHQIGGDPELLERASYYAVCALLEDLAFGHETGRVEYVAKSLHGWRWTFQAAG |
Consensus [pKd Mean = 3.26] | - | 1299 (s=627) | 11 (s=9) | MAAPAQSEQMRRLAGLLGVKLDPFSTGGESLTFGITGTELLVTIPTEPGEQDVQRQAELTRRVADRISIPVPEIVRVVAEAEAVVVRRLPGVPLIAVPTPQRAALTRSVALAVGTVLAELHTWDRDGYADLAPVDEYSPEEWRAETAELVSDLTPLLTTDQRDDVRRFLGRPAPRPAGRHVLSHNDLGIEHILVSPDAVTGVIDWNDAAITDPAYDFGLLLRDLGPEALRTALARYAHQIGGDPELLERASYYAVCALLEDLAFGHETGRVEYVAKSLHGWRWTFQAAG |