| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: 6MD_A_2(4LMP) / Model_4(4LMP/A) = [4.3]
| Download | 734.43 | 50.29 | MTIGLVKESMDLESRVALVPDDVALIAQKGVEVLVQNSAGANSGYSNEAYESVGAKIVDSKTAWGQDLVVKCKEPLEHEYPLLKEKATLFSYLDLAYQKSLCEMFINKKITSICTETIAGPKNDYPILAPMSVVAGRLAAHLVQHYLLALEHVKGFMGKGVMLGGLSGAQRAKIVVIGGGVVGMESAKVLSQMGAKVTILELDYAKLQNHPYYHLYDLEVLSVNEANIIQALNGAVGLVGAVLVTASQTPKVILRRHLKYMQKQGVVIDVACDLGGCIETIRQTSHSNPVYVEEDLLHYGVPNMPGIVAKTSSTAYSHASVPYLLYYLEHGLKGFLTANTKIVANTLGGLSAYNGYITQEGIAKAFNLAFKSPLEILKEL |
| Complex: NAD_A_4(2VOJ) / Model_3(2VOJ/A) = [5.0]
| Download | 1271.41 | 38.09 | MTIGLVKESMDLESRVALVPDDVALIAQKGVEVLVQNSAGANSGYSNEAYESVGAKIVDSKTAWGQDLVVKCKEPLEHEYPLLKEKATLFSYLDLAYQKSLCEMFINKKITSICTETIAGPKNDYPILAPMSVVAGRLAAHLVQHYLLALEHVKGFMGKGVMLGGLSGAQRAKIVVIGGGVVGMESAKVLSQMGAKVTILELDYAKLQNHPYYHLYDLEVLSVNEANIIQALNGAVGLVGAVLVTASQTPKVILRRHLKYMQKQGVVIDVACDLGGCIETIRQTSHSNPVYVEEDLLHYGVPNMPGIVAKTSSTAYSHASVPYLLYYLEHGLKGFLTANTKIVANTLGGLSAYNGYITQEGIAKAFNLAFKSPLEILKEL |
| Complex: NAI_A_3(2VHV) / Model_8(2VHV/A) = [7.1]
| Download | 1251.29 | 38.84 | MTIGLVKESMDLESRVALVPDDVALIAQKGVEVLVQNSAGANSGYSNEAYESVGAKIVDSKTAWGQDLVVKCKEPLEHEYPLLKEKATLFSYLDLAYQKSLCEMFINKKITSICTETIAGPKNDYPILAPMSVVAGRLAAHLVQHYLLALEHVKGFMGKGVMLGGLSGAQRAKIVVIGGGVVGMESAKVLSQMGAKVTILELDYAKLQNHPYYHLYDLEVLSVNEANIIQALNGAVGLVGAVLVTASQTPKVILRRHLKYMQKQGVVIDVACDLGGCIETIRQTSHSNPVYVEEDLLHYGVPNMPGIVAKTSSTAYSHASVPYLLYYLEHGLKGFLTANTKIVANTLGGLSAYNGYITQEGIAKAFNLAFKSPLEILKEL |
| Complex: NAD_G_7(1PJC) / Model_115(1PJC/A) = [8.0]
| Download | 1763.78 | 43.79 | MTIGLVKESMDLESRVALVPDDVALIAQKGVEVLVQNSAGANSGYSNEAYESVGAKIVDSKTAWGQDLVVKCKEPLEHEYPLLKEKATLFSYLDLAYQKSLCEMFINKKITSICTETIAGPKNDYPILAPMSVVAGRLAAHLVQHYLLALEHVKGFMGKGVMLGGLSGAQRAKIVVIGGGVVGMESAKVLSQMGAKVTILELDYAKLQNHPYYHLYDLEVLSVNEANIIQALNGAVGLVGAVLVTASQTPKVILRRHLKYMQKQGVVIDVACDLGGCIETIRQTSHSNPVYVEEDLLHYGVPNMPGIVAKTSSTAYSHASVPYLLYYLEHGLKGFLTANTKIVANTLGGLSAYNGYITQEGIAKAFNLAFKSPLEILKEL |
| Complex: NAD_E_8(2VOJ) / Model_21(2VOJ/E) = [8.1]
| Download | 1309.04 | 38.09 | MTIGLVKESMDLESRVALVPDDVALIAQKGVEVLVQNSAGANSGYSNEAYESVGAKIVDSKTAWGQDLVVKCKEPLEHEYPLLKEKATLFSYLDLAYQKSLCEMFINKKITSICTETIAGPKNDYPILAPMSVVAGRLAAHLVQHYLLALEHVKGFMGKGVMLGGLSGAQRAKIVVIGGGVVGMESAKVLSQMGAKVTILELDYAKLQNHPYYHLYDLEVLSVNEANIIQALNGAVGLVGAVLVTASQTPKVILRRHLKYMQKQGVVIDVACDLGGCIETIRQTSHSNPVYVEEDLLHYGVPNMPGIVAKTSSTAYSHASVPYLLYYLEHGLKGFLTANTKIVANTLGGLSAYNGYITQEGIAKAFNLAFKSPLEILKEL |
Consensus
[pKd Mean = 6.50] | - | 1265
(s=326) | 41
(s=4) | MTIGLVKESMDLESRVALVPDDVALIAQKGVEVLVQNSAGANSGYSNEAYESVGAKIVDSKTAWGQDLVVKCKEPLEHEYPLLKEKATLFSYLDLAYQKSLCEMFINKKITSICTETIAGPKNDYPILAPMSVVAGRLAAHLVQHYLLALEHVKGFMGKGVMLGGLSGAQRAKIVVIGGGVVGMESAKVLSQMGAKVTILELDYAKLQNHPYYHLYDLEVLSVNEANIIQALNGAVGLVGAVLVTASQTPKVILRRHLKYMQKQGVVIDVACDLGGCIETIRQTSHSNPVYVEEDLLHYGVPNMPGIVAKTSSTAYSHASVPYLLYYLEHGLKGFLTANTKIVANTLGGLSAYNGYITQEGIAKAFNLAFKSPLEILKEL |