| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: 3NP_A_11(1YQ4) / Model_56(1YQ4/A) = [3.1]
| Download | 180.78 | 13.33 | MAGPAWRDAADVVVIGTGVAGLAAALAADRAGRSVVVLSKAAQTHVTATHYAQGGIAVVLPDNDDSVDAHVADTLAAGAGLCDPDAVYSIVADGYRAVTDLVGAGARLDESVPGRWALTREGGHSRRRIVHAGGDATGAEVQRALQDAAGMLDIRTGHVALRVLHDGTAVTGLLVVRPDGCGIISAPSVILATGGLGHLYSATTNPAGSTGDGIALGLWAGVAVSDLEFIQFHPTMLFAGRAGGRRPLITEAIRGEGAILVDRQGNSITAGVHPMGDLAPRDVVAAAIDARLKATGDPCVYLDARGIEGFASRFPTVTASCRAAGIDPVRQPIPVVPGAHYSCGGIVTDVYGQTELLGLYAAGEVARTGLHGANRLASNSLLEGLVVGGRAGKAAAAHAAAAGRSRATSSATWPEPISYTALDRGDLQRAMSRDASMYRAAAGLHRLCDSLSGAQVRDVACRRDFEDVALTLVAQSVTAAALARTESRGCHHRAEYPCTVPEQARSIVVRGADDANAVCVQALVAVC |
| Complex: TEO_A_11(1YQ3) / Model_57(1YQ3/A) = [4.9]
| Download | 254.29 | 6.19 | MAGPAWRDAADVVVIGTGVAGLAAALAADRAGRSVVVLSKAAQTHVTATHYAQGGIAVVLPDNDDSVDAHVADTLAAGAGLCDPDAVYSIVADGYRAVTDLVGAGARLDESVPGRWALTREGGHSRRRIVHAGGDATGAEVQRALQDAAGMLDIRTGHVALRVLHDGTAVTGLLVVRPDGCGIISAPSVILATGGLGHLYSATTNPAGSTGDGIALGLWAGVAVSDLEFIQFHPTMLFAGRAGGRRPLITEAIRGEGAILVDRQGNSITAGVHPMGDLAPRDVVAAAIDARLKATGDPCVYLDARGIEGFASRFPTVTASCRAAGIDPVRQPIPVVPGAHYSCGGIVTDVYGQTELLGLYAAGEVARTGLHGANRLASNSLLEGLVVGGRAGKAAAAHAAAAGRSRATSSATWPEPISYTALDRGDLQRAMSRDASMYRAAAGLHRLCDSLSGAQVRDVACRRDFEDVALTLVAQSVTAAALARTESRGCHHRAEYPCTVPEQARSIVVRGADDANAVCVQALVAVC |
| Complex: FAD_B_6(2E5V) / Model_21(2E5V/B) = [7.5]
| Download | 624.17 | 15.71 | MAGPAWRDAADVVVIGTGVAGLAAALAADRAGRSVVVLSKAAQTHVTATHYAQGGIAVVLPDNDDSVDAHVADTLAAGAGLCDPDAVYSIVADGYRAVTDLVGAGARLDESVPGRWALTREGGHSRRRIVHAGGDATGAEVQRALQDAAGMLDIRTGHVALRVLHDGTAVTGLLVVRPDGCGIISAPSVILATGGLGHLYSATTNPAGSTGDGIALGLWAGVAVSDLEFIQFHPTMLFAGRAGGRRPLITEAIRGEGAILVDRQGNSITAGVHPMGDLAPRDVVAAAIDARLKATGDPCVYLDARGIEGFASRFPTVTASCRAAGIDPVRQPIPVVPGAHYSCGGIVTDVYGQTELLGLYAAGEVARTGLHGANRLASNSLLEGLVVGGRAGKAAAAHAAAAGRSRATSSATWPEPISYTALDRGDLQRAMSRDASMYRAAAGLHRLCDSLSGAQVRDVACRRDFEDVALTLVAQSVTAAALARTESRGCHHRAEYPCTVPEQARSIVVRGADDANAVCVQALVAVC |
| Complex: FAD_A_5(3AEC) / Model_64(3AEC/A) = [7.6]
| Download | 1072.48 | 28.51 | MAGPAWRDAADVVVIGTGVAGLAAALAADRAGRSVVVLSKAAQTHVTATHYAQGGIAVVLPDNDDSVDAHVADTLAAGAGLCDPDAVYSIVADGYRAVTDLVGAGARLDESVPGRWALTREGGHSRRRIVHAGGDATGAEVQRALQDAAGMLDIRTGHVALRVLHDGTAVTGLLVVRPDGCGIISAPSVILATGGLGHLYSATTNPAGSTGDGIALGLWAGVAVSDLEFIQFHPTMLFAGRAGGRRPLITEAIRGEGAILVDRQGNSITAGVHPMGDLAPRDVVAAAIDARLKATGDPCVYLDARGIEGFASRFPTVTASCRAAGIDPVRQPIPVVPGAHYSCGGIVTDVYGQTELLGLYAAGEVARTGLHGANRLASNSLLEGLVVGGRAGKAAAAHAAAAGRSRATSSATWPEPISYTALDRGDLQRAMSRDASMYRAAAGLHRLCDSLSGAQVRDVACRRDFEDVALTLVAQSVTAAALARTESRGCHHRAEYPCTVPEQARSIVVRGADDANAVCVQALVAVC |
| Complex: FAD_A_5(3AE7) / Model_69(3AE7/A) = [8.0]
| Download | 1027.10 | 25.03 | MAGPAWRDAADVVVIGTGVAGLAAALAADRAGRSVVVLSKAAQTHVTATHYAQGGIAVVLPDNDDSVDAHVADTLAAGAGLCDPDAVYSIVADGYRAVTDLVGAGARLDESVPGRWALTREGGHSRRRIVHAGGDATGAEVQRALQDAAGMLDIRTGHVALRVLHDGTAVTGLLVVRPDGCGIISAPSVILATGGLGHLYSATTNPAGSTGDGIALGLWAGVAVSDLEFIQFHPTMLFAGRAGGRRPLITEAIRGEGAILVDRQGNSITAGVHPMGDLAPRDVVAAAIDARLKATGDPCVYLDARGIEGFASRFPTVTASCRAAGIDPVRQPIPVVPGAHYSCGGIVTDVYGQTELLGLYAAGEVARTGLHGANRLASNSLLEGLVVGGRAGKAAAAHAAAAGRSRATSSATWPEPISYTALDRGDLQRAMSRDASMYRAAAGLHRLCDSLSGAQVRDVACRRDFEDVALTLVAQSVTAAALARTESRGCHHRAEYPCTVPEQARSIVVRGADDANAVCVQALVAVC |
Consensus
[pKd Mean = 6.22] | - | 631
(s=373) | 17
(s=8) | MAGPAWRDAADVVVIGTGVAGLAAALAADRAGRSVVVLSKAAQTHVTATHYAQGGIAVVLPDNDDSVDAHVADTLAAGAGLCDPDAVYSIVADGYRAVTDLVGAGARLDESVPGRWALTREGGHSRRRIVHAGGDATGAEVQRALQDAAGMLDIRTGHVALRVLHDGTAVTGLLVVRPDGCGIISAPSVILATGGLGHLYSATTNPAGSTGDGIALGLWAGVAVSDLEFIQFHPTMLFAGRAGGRRPLITEAIRGEGAILVDRQGNSITAGVHPMGDLAPRDVVAAAIDARLKATGDPCVYLDARGIEGFASRFPTVTASCRAAGIDPVRQPIPVVPGAHYSCGGIVTDVYGQTELLGLYAAGEVARTGLHGANRLASNSLLEGLVVGGRAGKAAAAHAAAAGRSRATSSATWPEPISYTALDRGDLQRAMSRDASMYRAAAGLHRLCDSLSGAQVRDVACRRDFEDVALTLVAQSVTAAALARTESRGCHHRAEYPCTVPEQARSIVVRGADDANAVCVQALVAVC |