| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: 13P_A_16(2R4E) / Model_7(2R4E/A) = [3.5]
| Download | 398.89 | 4.60 | MVQLFSAFDRETIERNLQEEKFDLVIVGGGITGAGIALDATSRGMSVALVEMGDFASGTSSRSTKLVHGGLRYLQQFEIKEVADLGKERAIVYENGPHVTTPEWMMLPFHKGGNMGKTTASFGIRLYDYLAGVKKNERRKILSAKETLAKNPFVKKDGLKGSGYYVEYRTDDARLTIEVMKKAVELGANAINYTKAEHFLYDDNKQVVGVTVTDRLSGKAYDIKGHRVINAAGPWVDKVRKLDYATNNKHLRLTKGIHLVIDKQKFPMEQAVYFDTPDGRMVFAIPRDKKVYVGTTDTVYDEAVINPKALESDHNYVIKAINYMFPDVHITEKDIESSWAGVRPLIYEEGKDPSEISRKDEVWFSESGLITMAGGKLTGYRKMAEKLLDDVSKTLAKETGKKYKTVQTKHLPISGGDIGGSEQLEAFLSKKAKEGNNRFGWTLEEGREMAKRFGSNIDQLFTYAQEHKEQNETTLPNSLYAELRYSIQHEAVTTPIDFLLRRTGYLLFDMPYLLEWKDAVVDEMAKQFHWSDDVKQTYIEELNIQINDAREPADWHDR |
| Complex: FAD_A_14(2R4E) / Model_7(2R4E/A) = [9.1]
| Download | 723.48 | 27.52 | MVQLFSAFDRETIERNLQEEKFDLVIVGGGITGAGIALDATSRGMSVALVEMGDFASGTSSRSTKLVHGGLRYLQQFEIKEVADLGKERAIVYENGPHVTTPEWMMLPFHKGGNMGKTTASFGIRLYDYLAGVKKNERRKILSAKETLAKNPFVKKDGLKGSGYYVEYRTDDARLTIEVMKKAVELGANAINYTKAEHFLYDDNKQVVGVTVTDRLSGKAYDIKGHRVINAAGPWVDKVRKLDYATNNKHLRLTKGIHLVIDKQKFPMEQAVYFDTPDGRMVFAIPRDKKVYVGTTDTVYDEAVINPKALESDHNYVIKAINYMFPDVHITEKDIESSWAGVRPLIYEEGKDPSEISRKDEVWFSESGLITMAGGKLTGYRKMAEKLLDDVSKTLAKETGKKYKTVQTKHLPISGGDIGGSEQLEAFLSKKAKEGNNRFGWTLEEGREMAKRFGSNIDQLFTYAQEHKEQNETTLPNSLYAELRYSIQHEAVTTPIDFLLRRTGYLLFDMPYLLEWKDAVVDEMAKQFHWSDDVKQTYIEELNIQINDAREPADWHDR |
| Complex: FAD_A_15(2QCU) / Model_4(2QCU/A) = [10.0]
| Download | 746.11 | 26.95 | MVQLFSAFDRETIERNLQEEKFDLVIVGGGITGAGIALDATSRGMSVALVEMGDFASGTSSRSTKLVHGGLRYLQQFEIKEVADLGKERAIVYENGPHVTTPEWMMLPFHKGGNMGKTTASFGIRLYDYLAGVKKNERRKILSAKETLAKNPFVKKDGLKGSGYYVEYRTDDARLTIEVMKKAVELGANAINYTKAEHFLYDDNKQVVGVTVTDRLSGKAYDIKGHRVINAAGPWVDKVRKLDYATNNKHLRLTKGIHLVIDKQKFPMEQAVYFDTPDGRMVFAIPRDKKVYVGTTDTVYDEAVINPKALESDHNYVIKAINYMFPDVHITEKDIESSWAGVRPLIYEEGKDPSEISRKDEVWFSESGLITMAGGKLTGYRKMAEKLLDDVSKTLAKETGKKYKTVQTKHLPISGGDIGGSEQLEAFLSKKAKEGNNRFGWTLEEGREMAKRFGSNIDQLFTYAQEHKEQNETTLPNSLYAELRYSIQHEAVTTPIDFLLRRTGYLLFDMPYLLEWKDAVVDEMAKQFHWSDDVKQTYIEELNIQINDAREPADWHDR |
| Complex: FAD_A_11(2R4J) / Model_8(2R4J/A) = [10.5]
| Download | 752.55 | 28.41 | MVQLFSAFDRETIERNLQEEKFDLVIVGGGITGAGIALDATSRGMSVALVEMGDFASGTSSRSTKLVHGGLRYLQQFEIKEVADLGKERAIVYENGPHVTTPEWMMLPFHKGGNMGKTTASFGIRLYDYLAGVKKNERRKILSAKETLAKNPFVKKDGLKGSGYYVEYRTDDARLTIEVMKKAVELGANAINYTKAEHFLYDDNKQVVGVTVTDRLSGKAYDIKGHRVINAAGPWVDKVRKLDYATNNKHLRLTKGIHLVIDKQKFPMEQAVYFDTPDGRMVFAIPRDKKVYVGTTDTVYDEAVINPKALESDHNYVIKAINYMFPDVHITEKDIESSWAGVRPLIYEEGKDPSEISRKDEVWFSESGLITMAGGKLTGYRKMAEKLLDDVSKTLAKETGKKYKTVQTKHLPISGGDIGGSEQLEAFLSKKAKEGNNRFGWTLEEGREMAKRFGSNIDQLFTYAQEHKEQNETTLPNSLYAELRYSIQHEAVTTPIDFLLRRTGYLLFDMPYLLEWKDAVVDEMAKQFHWSDDVKQTYIEELNIQINDAREPADWHDR |
| Complex: FAD_A_18(2R45) / Model_5(2R45/A) = [11.7]
| Download | 885.57 | 26.35 | MVQLFSAFDRETIERNLQEEKFDLVIVGGGITGAGIALDATSRGMSVALVEMGDFASGTSSRSTKLVHGGLRYLQQFEIKEVADLGKERAIVYENGPHVTTPEWMMLPFHKGGNMGKTTASFGIRLYDYLAGVKKNERRKILSAKETLAKNPFVKKDGLKGSGYYVEYRTDDARLTIEVMKKAVELGANAINYTKAEHFLYDDNKQVVGVTVTDRLSGKAYDIKGHRVINAAGPWVDKVRKLDYATNNKHLRLTKGIHLVIDKQKFPMEQAVYFDTPDGRMVFAIPRDKKVYVGTTDTVYDEAVINPKALESDHNYVIKAINYMFPDVHITEKDIESSWAGVRPLIYEEGKDPSEISRKDEVWFSESGLITMAGGKLTGYRKMAEKLLDDVSKTLAKETGKKYKTVQTKHLPISGGDIGGSEQLEAFLSKKAKEGNNRFGWTLEEGREMAKRFGSNIDQLFTYAQEHKEQNETTLPNSLYAELRYSIQHEAVTTPIDFLLRRTGYLLFDMPYLLEWKDAVVDEMAKQFHWSDDVKQTYIEELNIQINDAREPADWHDR |
Consensus
[pKd Mean = 8.96] | - | 701
(s=161) | 22
(s=9) | MVQLFSAFDRETIERNLQEEKFDLVIVGGGITGAGIALDATSRGMSVALVEMGDFASGTSSRSTKLVHGGLRYLQQFEIKEVADLGKERAIVYENGPHVTTPEWMMLPFHKGGNMGKTTASFGIRLYDYLAGVKKNERRKILSAKETLAKNPFVKKDGLKGSGYYVEYRTDDARLTIEVMKKAVELGANAINYTKAEHFLYDDNKQVVGVTVTDRLSGKAYDIKGHRVINAAGPWVDKVRKLDYATNNKHLRLTKGIHLVIDKQKFPMEQAVYFDTPDGRMVFAIPRDKKVYVGTTDTVYDEAVINPKALESDHNYVIKAINYMFPDVHITEKDIESSWAGVRPLIYEEGKDPSEISRKDEVWFSESGLITMAGGKLTGYRKMAEKLLDDVSKTLAKETGKKYKTVQTKHLPISGGDIGGSEQLEAFLSKKAKEGNNRFGWTLEEGREMAKRFGSNIDQLFTYAQEHKEQNETTLPNSLYAELRYSIQHEAVTTPIDFLLRRTGYLLFDMPYLLEWKDAVVDEMAKQFHWSDDVKQTYIEELNIQINDAREPADWHDR |