| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C7_S1 |
| Complex: NAD_A_3(1UWK) / Model_46(1UWK/A) = [12.2]
| Download | 1124.40 | 23.37 | MRKIQAKKGLSIECKGWEQEAVLRMLYNNLDPEVAERPEDLVVYGGIGKAARNWEAFEAIEKTLRELESDETMLVQSGKPVAVFKTHEEAPRVLISNSVLVPEWANWDHFNELDKKGLIMYGQMTAGSWIYIGSQGIVQGTYETFAELGNQHFNGDLAGTVTLTAGLGGMGGAQPLAITMNHGVAICVDVDETRVDKRIDTKYCDVKTADLDEALKLAEEAKERGEGLSIGLVGNAVDIHQAILEKGFKIDIITDQTSAHDPLNGYVPQGYSVEEAKVLREKDPKKYVELSQASMAKHVELMLEFQKRGAVAFDYGNNIRQVAFNNGVKNAFDFPGFVPAYIRPLFCEGKGPFRFAALSGDPKDIERADEEMRKLFPENEKLLRWLDLAEEKISYQGLPSRIAWLGYGERAKMGLALNRLVRDGEISAPIVIGRDHLDAGSVASPNRETESMKDGSDAVGDWAVLNALINTAAGGSWISFHHGGGVGMGYSLHAGMVVVADGSERAERRLERVLTTDPGMGVARHVDAGYDIAIQTAKEKGIHIPMIDKAGDK |
| Complex: NAD_A_3(1UWK) / Model_26(1UWK/A) = [12.2]
| Download | 1135.10 | 23.37 | MRKIQAKKGLSIECKGWEQEAVLRMLYNNLDPEVAERPEDLVVYGGIGKAARNWEAFEAIEKTLRELESDETMLVQSGKPVAVFKTHEEAPRVLISNSVLVPEWANWDHFNELDKKGLIMYGQMTAGSWIYIGSQGIVQGTYETFAELGNQHFNGDLAGTVTLTAGLGGMGGAQPLAITMNHGVAICVDVDETRVDKRIDTKYCDVKTADLDEALKLAEEAKERGEGLSIGLVGNAVDIHQAILEKGFKIDIITDQTSAHDPLNGYVPQGYSVEEAKVLREKDPKKYVELSQASMAKHVELMLEFQKRGAVAFDYGNNIRQVAFNNGVKNAFDFPGFVPAYIRPLFCEGKGPFRFAALSGDPKDIERADEEMRKLFPENEKLLRWLDLAEEKISYQGLPSRIAWLGYGERAKMGLALNRLVRDGEISAPIVIGRDHLDAGSVASPNRETESMKDGSDAVGDWAVLNALINTAAGGSWISFHHGGGVGMGYSLHAGMVVVADGSERAERRLERVLTTDPGMGVARHVDAGYDIAIQTAKEKGIHIPMIDKAGDK |
| Complex: NAD_A_3(1UWK) / Model_4(1UWK/A) = [12.2]
| Download | 1001.97 | 23.37 | MRKIQAKKGLSIECKGWEQEAVLRMLYNNLDPEVAERPEDLVVYGGIGKAARNWEAFEAIEKTLRELESDETMLVQSGKPVAVFKTHEEAPRVLISNSVLVPEWANWDHFNELDKKGLIMYGQMTAGSWIYIGSQGIVQGTYETFAELGNQHFNGDLAGTVTLTAGLGGMGGAQPLAITMNHGVAICVDVDETRVDKRIDTKYCDVKTADLDEALKLAEEAKERGEGLSIGLVGNAVDIHQAILEKGFKIDIITDQTSAHDPLNGYVPQGYSVEEAKVLREKDPKKYVELSQASMAKHVELMLEFQKRGAVAFDYGNNIRQVAFNNGVKNAFDFPGFVPAYIRPLFCEGKGPFRFAALSGDPKDIERADEEMRKLFPENEKLLRWLDLAEEKISYQGLPSRIAWLGYGERAKMGLALNRLVRDGEISAPIVIGRDHLDAGSVASPNRETESMKDGSDAVGDWAVLNALINTAAGGSWISFHHGGGVGMGYSLHAGMVVVADGSERAERRLERVLTTDPGMGVARHVDAGYDIAIQTAKEKGIHIPMIDKAGDK |
| Complex: NAD_B_5(1UWK) / Model_21(1UWK/B) = [12.3]
| Download | 1146.99 | 23.37 | MRKIQAKKGLSIECKGWEQEAVLRMLYNNLDPEVAERPEDLVVYGGIGKAARNWEAFEAIEKTLRELESDETMLVQSGKPVAVFKTHEEAPRVLISNSVLVPEWANWDHFNELDKKGLIMYGQMTAGSWIYIGSQGIVQGTYETFAELGNQHFNGDLAGTVTLTAGLGGMGGAQPLAITMNHGVAICVDVDETRVDKRIDTKYCDVKTADLDEALKLAEEAKERGEGLSIGLVGNAVDIHQAILEKGFKIDIITDQTSAHDPLNGYVPQGYSVEEAKVLREKDPKKYVELSQASMAKHVELMLEFQKRGAVAFDYGNNIRQVAFNNGVKNAFDFPGFVPAYIRPLFCEGKGPFRFAALSGDPKDIERADEEMRKLFPENEKLLRWLDLAEEKISYQGLPSRIAWLGYGERAKMGLALNRLVRDGEISAPIVIGRDHLDAGSVASPNRETESMKDGSDAVGDWAVLNALINTAAGGSWISFHHGGGVGMGYSLHAGMVVVADGSERAERRLERVLTTDPGMGVARHVDAGYDIAIQTAKEKGIHIPMIDKAGDK |
| Complex: NAD_B_4(1UWL) / Model_19(1UWL/B) = [12.8]
| Download | 1145.40 | 21.98 | MRKIQAKKGLSIECKGWEQEAVLRMLYNNLDPEVAERPEDLVVYGGIGKAARNWEAFEAIEKTLRELESDETMLVQSGKPVAVFKTHEEAPRVLISNSVLVPEWANWDHFNELDKKGLIMYGQMTAGSWIYIGSQGIVQGTYETFAELGNQHFNGDLAGTVTLTAGLGGMGGAQPLAITMNHGVAICVDVDETRVDKRIDTKYCDVKTADLDEALKLAEEAKERGEGLSIGLVGNAVDIHQAILEKGFKIDIITDQTSAHDPLNGYVPQGYSVEEAKVLREKDPKKYVELSQASMAKHVELMLEFQKRGAVAFDYGNNIRQVAFNNGVKNAFDFPGFVPAYIRPLFCEGKGPFRFAALSGDPKDIERADEEMRKLFPENEKLLRWLDLAEEKISYQGLPSRIAWLGYGERAKMGLALNRLVRDGEISAPIVIGRDHLDAGSVASPNRETESMKDGSDAVGDWAVLNALINTAAGGSWISFHHGGGVGMGYSLHAGMVVVADGSERAERRLERVLTTDPGMGVARHVDAGYDIAIQTAKEKGIHIPMIDKAGDK |
Consensus
[pKd Mean = 12.34] | - | 1110
(s=55) | 23
(s=0) | MRKIQAKKGLSIECKGWEQEAVLRMLYNNLDPEVAERPEDLVVYGGIGKAARNWEAFEAIEKTLRELESDETMLVQSGKPVAVFKTHEEAPRVLISNSVLVPEWANWDHFNELDKKGLIMYGQMTAGSWIYIGSQGIVQGTYETFAELGNQHFNGDLAGTVTLTAGLGGMGGAQPLAITMNHGVAICVDVDETRVDKRIDTKYCDVKTADLDEALKLAEEAKERGEGLSIGLVGNAVDIHQAILEKGFKIDIITDQTSAHDPLNGYVPQGYSVEEAKVLREKDPKKYVELSQASMAKHVELMLEFQKRGAVAFDYGNNIRQVAFNNGVKNAFDFPGFVPAYIRPLFCEGKGPFRFAALSGDPKDIERADEEMRKLFPENEKLLRWLDLAEEKISYQGLPSRIAWLGYGERAKMGLALNRLVRDGEISAPIVIGRDHLDAGSVASPNRETESMKDGSDAVGDWAVLNALINTAAGGSWISFHHGGGVGMGYSLHAGMVVVADGSERAERRLERVLTTDPGMGVARHVDAGYDIAIQTAKEKGIHIPMIDKAGDK |