| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: PQQ_A_7(1FLG) / Model_46(1FLG/A) = [6.2]
| Download | 548.33 | 16.39 | MTTRTSPAPAGLLRPSLHCLAFAVALGSAGAALAKDVTWEDIANDDKTTGDVLQYGMGTHAQRWSPLKQVNADNVFKLTPAWSYSFGDEKQRGQESQAIVSDGVIYVTASYSRLFALDAKTGKRLWTYNHRLPDDIRPCCDVVNRGAAIYGDKVFFGTLDASVVALNKNTGKVVWKKKFADHGAGYTMTGAPTIVKDGKTGKVLLIHGSSGDEFGVVGRLFARDPDTGEEIWMRPFVEGHMGRLNGKDSTVTGDVKAPSWPDDRNSPTGKVESWSHGGGAPWQSASFDAETNTIIVGAGNPGPWNTWARTAKGGNPHDYDSLYTSGQVGVDPSSGEVKWFYQHTPNDAWDFSGNNELVLFDYKAKDGKIVKATAHADRNGFFYVVDRSNGKLQNAFPFVDNITWASHIDLKTGRPVEREGQRPPLPEPGQKHGKAVEVSPPFLGGKNWNPMAYSQDTGLFYVPANHWKEDYWTEEVSYTKGSAYLGMGFRIKRMYDDHVGSLRAMDPVSGKVVWEHKEHLPLWAGVLATAGNLVFTGTGDGYFKAFDAKSGKELWKFQTGSGIVSPPITWEQDGEQYLGVTVGYGGAVPLWGGDMADLTRPVAQGGSFWVFKLPSWDNRTASR |
| Complex: PQQ_C_8(4AAH) / Model_39(4AAH/C) = [6.7]
| Download | 530.32 | 8.27 | MTTRTSPAPAGLLRPSLHCLAFAVALGSAGAALAKDVTWEDIANDDKTTGDVLQYGMGTHAQRWSPLKQVNADNVFKLTPAWSYSFGDEKQRGQESQAIVSDGVIYVTASYSRLFALDAKTGKRLWTYNHRLPDDIRPCCDVVNRGAAIYGDKVFFGTLDASVVALNKNTGKVVWKKKFADHGAGYTMTGAPTIVKDGKTGKVLLIHGSSGDEFGVVGRLFARDPDTGEEIWMRPFVEGHMGRLNGKDSTVTGDVKAPSWPDDRNSPTGKVESWSHGGGAPWQSASFDAETNTIIVGAGNPGPWNTWARTAKGGNPHDYDSLYTSGQVGVDPSSGEVKWFYQHTPNDAWDFSGNNELVLFDYKAKDGKIVKATAHADRNGFFYVVDRSNGKLQNAFPFVDNITWASHIDLKTGRPVEREGQRPPLPEPGQKHGKAVEVSPPFLGGKNWNPMAYSQDTGLFYVPANHWKEDYWTEEVSYTKGSAYLGMGFRIKRMYDDHVGSLRAMDPVSGKVVWEHKEHLPLWAGVLATAGNLVFTGTGDGYFKAFDAKSGKELWKFQTGSGIVSPPITWEQDGEQYLGVTVGYGGAVPLWGGDMADLTRPVAQGGSFWVFKLPSWDNRTASR |
| Complex: PQQ_A_3(1KV9) / Model_50(1KV9/A) = [6.9]
| Download | 563.19 | 16.26 | MTTRTSPAPAGLLRPSLHCLAFAVALGSAGAALAKDVTWEDIANDDKTTGDVLQYGMGTHAQRWSPLKQVNADNVFKLTPAWSYSFGDEKQRGQESQAIVSDGVIYVTASYSRLFALDAKTGKRLWTYNHRLPDDIRPCCDVVNRGAAIYGDKVFFGTLDASVVALNKNTGKVVWKKKFADHGAGYTMTGAPTIVKDGKTGKVLLIHGSSGDEFGVVGRLFARDPDTGEEIWMRPFVEGHMGRLNGKDSTVTGDVKAPSWPDDRNSPTGKVESWSHGGGAPWQSASFDAETNTIIVGAGNPGPWNTWARTAKGGNPHDYDSLYTSGQVGVDPSSGEVKWFYQHTPNDAWDFSGNNELVLFDYKAKDGKIVKATAHADRNGFFYVVDRSNGKLQNAFPFVDNITWASHIDLKTGRPVEREGQRPPLPEPGQKHGKAVEVSPPFLGGKNWNPMAYSQDTGLFYVPANHWKEDYWTEEVSYTKGSAYLGMGFRIKRMYDDHVGSLRAMDPVSGKVVWEHKEHLPLWAGVLATAGNLVFTGTGDGYFKAFDAKSGKELWKFQTGSGIVSPPITWEQDGEQYLGVTVGYGGAVPLWGGDMADLTRPVAQGGSFWVFKLPSWDNRTASR |
| Complex: PQQ_A_7(1FLG) / Model_1(1FLG/A) = [7.1]
| Download | 486.22 | 13.41 | MTTRTSPAPAGLLRPSLHCLAFAVALGSAGAALAKDVTWEDIANDDKTTGDVLQYGMGTHAQRWSPLKQVNADNVFKLTPAWSYSFGDEKQRGQESQAIVSDGVIYVTASYSRLFALDAKTGKRLWTYNHRLPDDIRPCCDVVNRGAAIYGDKVFFGTLDASVVALNKNTGKVVWKKKFADHGAGYTMTGAPTIVKDGKTGKVLLIHGSSGDEFGVVGRLFARDPDTGEEIWMRPFVEGHMGRLNGKDSTVTGDVKAPSWPDDRNSPTGKVESWSHGGGAPWQSASFDAETNTIIVGAGNPGPWNTWARTAKGGNPHDYDSLYTSGQVGVDPSSGEVKWFYQHTPNDAWDFSGNNELVLFDYKAKDGKIVKATAHADRNGFFYVVDRSNGKLQNAFPFVDNITWASHIDLKTGRPVEREGQRPPLPEPGQKHGKAVEVSPPFLGGKNWNPMAYSQDTGLFYVPANHWKEDYWTEEVSYTKGSAYLGMGFRIKRMYDDHVGSLRAMDPVSGKVVWEHKEHLPLWAGVLATAGNLVFTGTGDGYFKAFDAKSGKELWKFQTGSGIVSPPITWEQDGEQYLGVTVGYGGAVPLWGGDMADLTRPVAQGGSFWVFKLPSWDNRTASR |
| Complex: PQQ_A_7(1FLG) / Model_66(1FLG/A) = [7.1]
| Download | 458.28 | 9.00 | MTTRTSPAPAGLLRPSLHCLAFAVALGSAGAALAKDVTWEDIANDDKTTGDVLQYGMGTHAQRWSPLKQVNADNVFKLTPAWSYSFGDEKQRGQESQAIVSDGVIYVTASYSRLFALDAKTGKRLWTYNHRLPDDIRPCCDVVNRGAAIYGDKVFFGTLDASVVALNKNTGKVVWKKKFADHGAGYTMTGAPTIVKDGKTGKVLLIHGSSGDEFGVVGRLFARDPDTGEEIWMRPFVEGHMGRLNGKDSTVTGDVKAPSWPDDRNSPTGKVESWSHGGGAPWQSASFDAETNTIIVGAGNPGPWNTWARTAKGGNPHDYDSLYTSGQVGVDPSSGEVKWFYQHTPNDAWDFSGNNELVLFDYKAKDGKIVKATAHADRNGFFYVVDRSNGKLQNAFPFVDNITWASHIDLKTGRPVEREGQRPPLPEPGQKHGKAVEVSPPFLGGKNWNPMAYSQDTGLFYVPANHWKEDYWTEEVSYTKGSAYLGMGFRIKRMYDDHVGSLRAMDPVSGKVVWEHKEHLPLWAGVLATAGNLVFTGTGDGYFKAFDAKSGKELWKFQTGSGIVSPPITWEQDGEQYLGVTVGYGGAVPLWGGDMADLTRPVAQGGSFWVFKLPSWDNRTASR |
Consensus
[pKd Mean = 6.80] | - | 517
(s=39) | 12
(s=3) | MTTRTSPAPAGLLRPSLHCLAFAVALGSAGAALAKDVTWEDIANDDKTTGDVLQYGMGTHAQRWSPLKQVNADNVFKLTPAWSYSFGDEKQRGQESQAIVSDGVIYVTASYSRLFALDAKTGKRLWTYNHRLPDDIRPCCDVVNRGAAIYGDKVFFGTLDASVVALNKNTGKVVWKKKFADHGAGYTMTGAPTIVKDGKTGKVLLIHGSSGDEFGVVGRLFARDPDTGEEIWMRPFVEGHMGRLNGKDSTVTGDVKAPSWPDDRNSPTGKVESWSHGGGAPWQSASFDAETNTIIVGAGNPGPWNTWARTAKGGNPHDYDSLYTSGQVGVDPSSGEVKWFYQHTPNDAWDFSGNNELVLFDYKAKDGKIVKATAHADRNGFFYVVDRSNGKLQNAFPFVDNITWASHIDLKTGRPVEREGQRPPLPEPGQKHGKAVEVSPPFLGGKNWNPMAYSQDTGLFYVPANHWKEDYWTEEVSYTKGSAYLGMGFRIKRMYDDHVGSLRAMDPVSGKVVWEHKEHLPLWAGVLATAGNLVFTGTGDGYFKAFDAKSGKELWKFQTGSGIVSPPITWEQDGEQYLGVTVGYGGAVPLWGGDMADLTRPVAQGGSFWVFKLPSWDNRTASR |