| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: NAD_B_5(1UWK) / Model_13(1UWK/B) = [9.2]
| Download | 992.02 | 22.49 | MTDVKKSIRANRGTELECLGWEQEAVLRMLRNNLDPEVAEKPEDLIVYGGIGKAARDWDAFHAIEHSLKTLKNDETLLVQSGKPVGMFRTHPQAPRVLLANSVLVPKWADWEHFHELEKKGLMMYGQMTAGSWIYIGSQGILQGTYETFAELARQHFGGSLKGTLTLTAGLGGMGGAQPLSVTMNEGVVIAVEVDEKRIDKRIETKYCDRKTASIEEALAWAEEAKLAGKPLSIALLGNAAEVHHTLLNRGVKIDIVTDQTSAHDPLIGYVPEGYSLDEADRLRQDTPELYVRLAKQSMKKHVEAMLAFQQKGSIVFDYGNNIRQVAKDEGLENAFDFPGFVPAYIRPLFCEGKGPFRWAALSGDPADIYRTDALLKELFPTNKALHRWIDMAQEKVTFQGLPSRICWLGYGERKKMGLAINELVRTGELKAPVVIGRDHLDCGSVASPNRETEAMKDGSDAVGDWAVLNALVNTAAGASWVSFHHGGGVGMGYSLHAGMVAVADGSELADERLARVLTSDPGMGIIRHADAGYERAVEVAKEQDIIVPMQK |
| Complex: NAD_A_3(1UWK) / Model_4(1UWK/A) = [10.5]
| Download | 1005.70 | 22.49 | MTDVKKSIRANRGTELECLGWEQEAVLRMLRNNLDPEVAEKPEDLIVYGGIGKAARDWDAFHAIEHSLKTLKNDETLLVQSGKPVGMFRTHPQAPRVLLANSVLVPKWADWEHFHELEKKGLMMYGQMTAGSWIYIGSQGILQGTYETFAELARQHFGGSLKGTLTLTAGLGGMGGAQPLSVTMNEGVVIAVEVDEKRIDKRIETKYCDRKTASIEEALAWAEEAKLAGKPLSIALLGNAAEVHHTLLNRGVKIDIVTDQTSAHDPLIGYVPEGYSLDEADRLRQDTPELYVRLAKQSMKKHVEAMLAFQQKGSIVFDYGNNIRQVAKDEGLENAFDFPGFVPAYIRPLFCEGKGPFRWAALSGDPADIYRTDALLKELFPTNKALHRWIDMAQEKVTFQGLPSRICWLGYGERKKMGLAINELVRTGELKAPVVIGRDHLDCGSVASPNRETEAMKDGSDAVGDWAVLNALVNTAAGASWVSFHHGGGVGMGYSLHAGMVAVADGSELADERLARVLTSDPGMGIIRHADAGYERAVEVAKEQDIIVPMQK |
| Complex: NAD_A_3(1UWK) / Model_19(1UWK/A) = [12.5]
| Download | 1024.04 | 20.64 | MTDVKKSIRANRGTELECLGWEQEAVLRMLRNNLDPEVAEKPEDLIVYGGIGKAARDWDAFHAIEHSLKTLKNDETLLVQSGKPVGMFRTHPQAPRVLLANSVLVPKWADWEHFHELEKKGLMMYGQMTAGSWIYIGSQGILQGTYETFAELARQHFGGSLKGTLTLTAGLGGMGGAQPLSVTMNEGVVIAVEVDEKRIDKRIETKYCDRKTASIEEALAWAEEAKLAGKPLSIALLGNAAEVHHTLLNRGVKIDIVTDQTSAHDPLIGYVPEGYSLDEADRLRQDTPELYVRLAKQSMKKHVEAMLAFQQKGSIVFDYGNNIRQVAKDEGLENAFDFPGFVPAYIRPLFCEGKGPFRWAALSGDPADIYRTDALLKELFPTNKALHRWIDMAQEKVTFQGLPSRICWLGYGERKKMGLAINELVRTGELKAPVVIGRDHLDCGSVASPNRETEAMKDGSDAVGDWAVLNALVNTAAGASWVSFHHGGGVGMGYSLHAGMVAVADGSELADERLARVLTSDPGMGIIRHADAGYERAVEVAKEQDIIVPMQK |
| Complex: NAD_B_5(1W1U) / Model_12(1W1U/B) = [12.9]
| Download | 1143.00 | 20.64 | MTDVKKSIRANRGTELECLGWEQEAVLRMLRNNLDPEVAEKPEDLIVYGGIGKAARDWDAFHAIEHSLKTLKNDETLLVQSGKPVGMFRTHPQAPRVLLANSVLVPKWADWEHFHELEKKGLMMYGQMTAGSWIYIGSQGILQGTYETFAELARQHFGGSLKGTLTLTAGLGGMGGAQPLSVTMNEGVVIAVEVDEKRIDKRIETKYCDRKTASIEEALAWAEEAKLAGKPLSIALLGNAAEVHHTLLNRGVKIDIVTDQTSAHDPLIGYVPEGYSLDEADRLRQDTPELYVRLAKQSMKKHVEAMLAFQQKGSIVFDYGNNIRQVAKDEGLENAFDFPGFVPAYIRPLFCEGKGPFRWAALSGDPADIYRTDALLKELFPTNKALHRWIDMAQEKVTFQGLPSRICWLGYGERKKMGLAINELVRTGELKAPVVIGRDHLDCGSVASPNRETEAMKDGSDAVGDWAVLNALVNTAAGASWVSFHHGGGVGMGYSLHAGMVAVADGSELADERLARVLTSDPGMGIIRHADAGYERAVEVAKEQDIIVPMQK |
| Complex: NAD_B_4(1UWL) / Model_11(1UWL/B) = [13.0]
| Download | 1176.31 | 22.67 | MTDVKKSIRANRGTELECLGWEQEAVLRMLRNNLDPEVAEKPEDLIVYGGIGKAARDWDAFHAIEHSLKTLKNDETLLVQSGKPVGMFRTHPQAPRVLLANSVLVPKWADWEHFHELEKKGLMMYGQMTAGSWIYIGSQGILQGTYETFAELARQHFGGSLKGTLTLTAGLGGMGGAQPLSVTMNEGVVIAVEVDEKRIDKRIETKYCDRKTASIEEALAWAEEAKLAGKPLSIALLGNAAEVHHTLLNRGVKIDIVTDQTSAHDPLIGYVPEGYSLDEADRLRQDTPELYVRLAKQSMKKHVEAMLAFQQKGSIVFDYGNNIRQVAKDEGLENAFDFPGFVPAYIRPLFCEGKGPFRWAALSGDPADIYRTDALLKELFPTNKALHRWIDMAQEKVTFQGLPSRICWLGYGERKKMGLAINELVRTGELKAPVVIGRDHLDCGSVASPNRETEAMKDGSDAVGDWAVLNALVNTAAGASWVSFHHGGGVGMGYSLHAGMVAVADGSELADERLARVLTSDPGMGIIRHADAGYERAVEVAKEQDIIVPMQK |
Consensus
[pKd Mean = 11.62] | - | 1068
(s=76) | 21
(s=1) | MTDVKKSIRANRGTELECLGWEQEAVLRMLRNNLDPEVAEKPEDLIVYGGIGKAARDWDAFHAIEHSLKTLKNDETLLVQSGKPVGMFRTHPQAPRVLLANSVLVPKWADWEHFHELEKKGLMMYGQMTAGSWIYIGSQGILQGTYETFAELARQHFGGSLKGTLTLTAGLGGMGGAQPLSVTMNEGVVIAVEVDEKRIDKRIETKYCDRKTASIEEALAWAEEAKLAGKPLSIALLGNAAEVHHTLLNRGVKIDIVTDQTSAHDPLIGYVPEGYSLDEADRLRQDTPELYVRLAKQSMKKHVEAMLAFQQKGSIVFDYGNNIRQVAKDEGLENAFDFPGFVPAYIRPLFCEGKGPFRWAALSGDPADIYRTDALLKELFPTNKALHRWIDMAQEKVTFQGLPSRICWLGYGERKKMGLAINELVRTGELKAPVVIGRDHLDCGSVASPNRETEAMKDGSDAVGDWAVLNALVNTAAGASWVSFHHGGGVGMGYSLHAGMVAVADGSELADERLARVLTSDPGMGIIRHADAGYERAVEVAKEQDIIVPMQK |