| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: TDP_B_7(3EY9) / Model_34(3EY9/B) = [6.5]
| Download | 1337.88 | 24.84 | MKKVKASETLVQTLKNWGIDHVYGLPGDSIDTVVDALRKEQEAIEFIHVRHEEVATLAAAAYTKLTGKIGVALSIGGPGAIHLLNGMYDAKMDHVPMLVLAGQVTTDVLNTGFFQEVNLPAIFEDVAVYNKQIDNAETLADVVDEAIRTAYKEKGVAVLTIPNDIPSQVIKASLEAKPVKFEQENPKLDEAAIQEAVTLIEKAEKPVILAGLGTKHAGPELIAFSEKLKIPIIHSLPAKTIVPDDHPNALGNLGKIGTKPAYEAMQETDLLLMFGNDYPYSDYLPKKTDCIQIDIDPAKISKRFPAIVGLVGDAAEIISDLTAKIAPVEERKFLQACQENMQEWWKWLEEDIAQTSDPIAPEVVMANIQKIADKDAVFSIDVGTATVWSTRYLHLTPENDFIVSAWLGTMGCGLPGAIAAKKAFPDRQAIAIVGDGGFSMVMQDFVTAVGLNMPMIVVVLNNQQLSFIKYEQQSAGELNYAIDLPDINYAKFAESCGGIGFRVEKMADLEAAFENAKLATKPVIIDVSVDSAAAPLPGKIVMDEALGYTKFEIQSVLEDHRFAKMPPLKTILRRFL |
| Complex: TPP_B_7(1POW) / Model_25(1POW/B) = [6.5]
| Download | 866.74 | 27.82 | MKKVKASETLVQTLKNWGIDHVYGLPGDSIDTVVDALRKEQEAIEFIHVRHEEVATLAAAAYTKLTGKIGVALSIGGPGAIHLLNGMYDAKMDHVPMLVLAGQVTTDVLNTGFFQEVNLPAIFEDVAVYNKQIDNAETLADVVDEAIRTAYKEKGVAVLTIPNDIPSQVIKASLEAKPVKFEQENPKLDEAAIQEAVTLIEKAEKPVILAGLGTKHAGPELIAFSEKLKIPIIHSLPAKTIVPDDHPNALGNLGKIGTKPAYEAMQETDLLLMFGNDYPYSDYLPKKTDCIQIDIDPAKISKRFPAIVGLVGDAAEIISDLTAKIAPVEERKFLQACQENMQEWWKWLEEDIAQTSDPIAPEVVMANIQKIADKDAVFSIDVGTATVWSTRYLHLTPENDFIVSAWLGTMGCGLPGAIAAKKAFPDRQAIAIVGDGGFSMVMQDFVTAVGLNMPMIVVVLNNQQLSFIKYEQQSAGELNYAIDLPDINYAKFAESCGGIGFRVEKMADLEAAFENAKLATKPVIIDVSVDSAAAPLPGKIVMDEALGYTKFEIQSVLEDHRFAKMPPLKTILRRFL |
| Complex: TDP_A_3(3EY9) / Model_16(3EY9/A) = [6.6]
| Download | 1116.37 | 24.84 | MKKVKASETLVQTLKNWGIDHVYGLPGDSIDTVVDALRKEQEAIEFIHVRHEEVATLAAAAYTKLTGKIGVALSIGGPGAIHLLNGMYDAKMDHVPMLVLAGQVTTDVLNTGFFQEVNLPAIFEDVAVYNKQIDNAETLADVVDEAIRTAYKEKGVAVLTIPNDIPSQVIKASLEAKPVKFEQENPKLDEAAIQEAVTLIEKAEKPVILAGLGTKHAGPELIAFSEKLKIPIIHSLPAKTIVPDDHPNALGNLGKIGTKPAYEAMQETDLLLMFGNDYPYSDYLPKKTDCIQIDIDPAKISKRFPAIVGLVGDAAEIISDLTAKIAPVEERKFLQACQENMQEWWKWLEEDIAQTSDPIAPEVVMANIQKIADKDAVFSIDVGTATVWSTRYLHLTPENDFIVSAWLGTMGCGLPGAIAAKKAFPDRQAIAIVGDGGFSMVMQDFVTAVGLNMPMIVVVLNNQQLSFIKYEQQSAGELNYAIDLPDINYAKFAESCGGIGFRVEKMADLEAAFENAKLATKPVIIDVSVDSAAAPLPGKIVMDEALGYTKFEIQSVLEDHRFAKMPPLKTILRRFL |
| Complex: TPP_A_7(1POX) / Model_1(1POX/A) = [6.9]
| Download | 854.81 | 27.31 | MKKVKASETLVQTLKNWGIDHVYGLPGDSIDTVVDALRKEQEAIEFIHVRHEEVATLAAAAYTKLTGKIGVALSIGGPGAIHLLNGMYDAKMDHVPMLVLAGQVTTDVLNTGFFQEVNLPAIFEDVAVYNKQIDNAETLADVVDEAIRTAYKEKGVAVLTIPNDIPSQVIKASLEAKPVKFEQENPKLDEAAIQEAVTLIEKAEKPVILAGLGTKHAGPELIAFSEKLKIPIIHSLPAKTIVPDDHPNALGNLGKIGTKPAYEAMQETDLLLMFGNDYPYSDYLPKKTDCIQIDIDPAKISKRFPAIVGLVGDAAEIISDLTAKIAPVEERKFLQACQENMQEWWKWLEEDIAQTSDPIAPEVVMANIQKIADKDAVFSIDVGTATVWSTRYLHLTPENDFIVSAWLGTMGCGLPGAIAAKKAFPDRQAIAIVGDGGFSMVMQDFVTAVGLNMPMIVVVLNNQQLSFIKYEQQSAGELNYAIDLPDINYAKFAESCGGIGFRVEKMADLEAAFENAKLATKPVIIDVSVDSAAAPLPGKIVMDEALGYTKFEIQSVLEDHRFAKMPPLKTILRRFL |
| Complex: TPP_B_9(1POX) / Model_21(1POX/B) = [7.0]
| Download | 782.57 | 29.89 | MKKVKASETLVQTLKNWGIDHVYGLPGDSIDTVVDALRKEQEAIEFIHVRHEEVATLAAAAYTKLTGKIGVALSIGGPGAIHLLNGMYDAKMDHVPMLVLAGQVTTDVLNTGFFQEVNLPAIFEDVAVYNKQIDNAETLADVVDEAIRTAYKEKGVAVLTIPNDIPSQVIKASLEAKPVKFEQENPKLDEAAIQEAVTLIEKAEKPVILAGLGTKHAGPELIAFSEKLKIPIIHSLPAKTIVPDDHPNALGNLGKIGTKPAYEAMQETDLLLMFGNDYPYSDYLPKKTDCIQIDIDPAKISKRFPAIVGLVGDAAEIISDLTAKIAPVEERKFLQACQENMQEWWKWLEEDIAQTSDPIAPEVVMANIQKIADKDAVFSIDVGTATVWSTRYLHLTPENDFIVSAWLGTMGCGLPGAIAAKKAFPDRQAIAIVGDGGFSMVMQDFVTAVGLNMPMIVVVLNNQQLSFIKYEQQSAGELNYAIDLPDINYAKFAESCGGIGFRVEKMADLEAAFENAKLATKPVIIDVSVDSAAAPLPGKIVMDEALGYTKFEIQSVLEDHRFAKMPPLKTILRRFL |
Consensus
[pKd Mean = 6.70] | - | 991
(s=206) | 26
(s=2) | MKKVKASETLVQTLKNWGIDHVYGLPGDSIDTVVDALRKEQEAIEFIHVRHEEVATLAAAAYTKLTGKIGVALSIGGPGAIHLLNGMYDAKMDHVPMLVLAGQVTTDVLNTGFFQEVNLPAIFEDVAVYNKQIDNAETLADVVDEAIRTAYKEKGVAVLTIPNDIPSQVIKASLEAKPVKFEQENPKLDEAAIQEAVTLIEKAEKPVILAGLGTKHAGPELIAFSEKLKIPIIHSLPAKTIVPDDHPNALGNLGKIGTKPAYEAMQETDLLLMFGNDYPYSDYLPKKTDCIQIDIDPAKISKRFPAIVGLVGDAAEIISDLTAKIAPVEERKFLQACQENMQEWWKWLEEDIAQTSDPIAPEVVMANIQKIADKDAVFSIDVGTATVWSTRYLHLTPENDFIVSAWLGTMGCGLPGAIAAKKAFPDRQAIAIVGDGGFSMVMQDFVTAVGLNMPMIVVVLNNQQLSFIKYEQQSAGELNYAIDLPDINYAKFAESCGGIGFRVEKMADLEAAFENAKLATKPVIIDVSVDSAAAPLPGKIVMDEALGYTKFEIQSVLEDHRFAKMPPLKTILRRFL |