| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: EDO_A_13(3TM9) / Model_14(3TM9/A) = [3.1]
| Download | 314.43 | 23.80 | MLDNKTIEIIKSTVPVLQQHGETITGRFYDRMFQDHPELLNIFNQTNQKKKTQRTALANAVIAAAANIDQLGNIIPVVKQIGHKHRSIGIKPEHYPIVGKYLLIAIKDVLGDAATPDIMQAWEKAYGVIADAFIGIEKDMYEQAEEQAGGWKEYKPFVIAKKERESKEITSFYLKPEDSKPLPEFQAGQYISIKVRIPDSEYTHIRQYSLSDMPGKDYYRISVKKDGVVSSYLHDGLQEGDSIEISAPAGDFVLDHASQKDLVLISAGVGITPMISMLKTSVSKQPERQILFIHAAKNSEYHALRHEVEEAAKHSAVKTAFVYREPTEEDRAGDLHFHEGQIDQQFLKELIANTDADYYICGSPSFITAMHKLVSELGSAPESIHYELFGPQLSLAQSV |
| Complex: FAD_A_5(1CQX) / Model_35(1CQX/A) = [3.5]
| Download | 493.87 | 41.25 | MLDNKTIEIIKSTVPVLQQHGETITGRFYDRMFQDHPELLNIFNQTNQKKKTQRTALANAVIAAAANIDQLGNIIPVVKQIGHKHRSIGIKPEHYPIVGKYLLIAIKDVLGDAATPDIMQAWEKAYGVIADAFIGIEKDMYEQAEEQAGGWKEYKPFVIAKKERESKEITSFYLKPEDSKPLPEFQAGQYISIKVRIPDSEYTHIRQYSLSDMPGKDYYRISVKKDGVVSSYLHDGLQEGDSIEISAPAGDFVLDHASQKDLVLISAGVGITPMISMLKTSVSKQPERQILFIHAAKNSEYHALRHEVEEAAKHSAVKTAFVYREPTEEDRAGDLHFHEGQIDQQFLKELIANTDADYYICGSPSFITAMHKLVSELGSAPESIHYELFGPQLSLAQSV |
| Complex: DGG_A_9(3OZV) / Model_23(3OZV/A) = [5.0]
| Download | 1091.64 | 54.00 | MLDNKTIEIIKSTVPVLQQHGETITGRFYDRMFQDHPELLNIFNQTNQKKKTQRTALANAVIAAAANIDQLGNIIPVVKQIGHKHRSIGIKPEHYPIVGKYLLIAIKDVLGDAATPDIMQAWEKAYGVIADAFIGIEKDMYEQAEEQAGGWKEYKPFVIAKKERESKEITSFYLKPEDSKPLPEFQAGQYISIKVRIPDSEYTHIRQYSLSDMPGKDYYRISVKKDGVVSSYLHDGLQEGDSIEISAPAGDFVLDHASQKDLVLISAGVGITPMISMLKTSVSKQPERQILFIHAAKNSEYHALRHEVEEAAKHSAVKTAFVYREPTEEDRAGDLHFHEGQIDQQFLKELIANTDADYYICGSPSFITAMHKLVSELGSAPESIHYELFGPQLSLAQSV |
| Complex: DGG_B_9(1CQX) / Model_21(1CQX/B) = [7.2]
| Download | 2635.89 | 47.40 | MLDNKTIEIIKSTVPVLQQHGETITGRFYDRMFQDHPELLNIFNQTNQKKKTQRTALANAVIAAAANIDQLGNIIPVVKQIGHKHRSIGIKPEHYPIVGKYLLIAIKDVLGDAATPDIMQAWEKAYGVIADAFIGIEKDMYEQAEEQAGGWKEYKPFVIAKKERESKEITSFYLKPEDSKPLPEFQAGQYISIKVRIPDSEYTHIRQYSLSDMPGKDYYRISVKKDGVVSSYLHDGLQEGDSIEISAPAGDFVLDHASQKDLVLISAGVGITPMISMLKTSVSKQPERQILFIHAAKNSEYHALRHEVEEAAKHSAVKTAFVYREPTEEDRAGDLHFHEGQIDQQFLKELIANTDADYYICGSPSFITAMHKLVSELGSAPESIHYELFGPQLSLAQSV |
| Complex: FAD_A_5(1CQX) / Model_34(1CQX/A) = [8.6]
| Download | 614.70 | 14.00 | MLDNKTIEIIKSTVPVLQQHGETITGRFYDRMFQDHPELLNIFNQTNQKKKTQRTALANAVIAAAANIDQLGNIIPVVKQIGHKHRSIGIKPEHYPIVGKYLLIAIKDVLGDAATPDIMQAWEKAYGVIADAFIGIEKDMYEQAEEQAGGWKEYKPFVIAKKERESKEITSFYLKPEDSKPLPEFQAGQYISIKVRIPDSEYTHIRQYSLSDMPGKDYYRISVKKDGVVSSYLHDGLQEGDSIEISAPAGDFVLDHASQKDLVLISAGVGITPMISMLKTSVSKQPERQILFIHAAKNSEYHALRHEVEEAAKHSAVKTAFVYREPTEEDRAGDLHFHEGQIDQQFLKELIANTDADYYICGSPSFITAMHKLVSELGSAPESIHYELFGPQLSLAQSV |
Consensus
[pKd Mean = 5.48] | - | 1030
(s=843) | 36
(s=14) | MLDNKTIEIIKSTVPVLQQHGETITGRFYDRMFQDHPELLNIFNQTNQKKKTQRTALANAVIAAAANIDQLGNIIPVVKQIGHKHRSIGIKPEHYPIVGKYLLIAIKDVLGDAATPDIMQAWEKAYGVIADAFIGIEKDMYEQAEEQAGGWKEYKPFVIAKKERESKEITSFYLKPEDSKPLPEFQAGQYISIKVRIPDSEYTHIRQYSLSDMPGKDYYRISVKKDGVVSSYLHDGLQEGDSIEISAPAGDFVLDHASQKDLVLISAGVGITPMISMLKTSVSKQPERQILFIHAAKNSEYHALRHEVEEAAKHSAVKTAFVYREPTEEDRAGDLHFHEGQIDQQFLKELIANTDADYYICGSPSFITAMHKLVSELGSAPESIHYELFGPQLSLAQSV |