| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C5_S1 |
| Complex: CIT_B_4(1HQS) / Model_48(1HQS/B) = [3.2]
| Download | 819.02 | 12.11 | MSTPITVAYGDGIGPEIMEAVLSMLREAEAKISIDVIEIGERVYNKEWSYGISPSGWESIERTKVLLKSPTTTSQGKGHKSLNVALRKSLGLYANIRPCTSYHPVIENKFDRFDIVVIRENEEDVYTGIEHRLTGNSYQCTKIITRSGSEKICRYAFNYAKRHNRKKVTCLTKDNIMKMTDGIFHTAFDSIAKEYPDIKAEHYIVDIGMARVATEPENFDVIVTENLYGDILSDIVAQTSGSVGLAGSSNIGSEYAMFEAVHGSAPNIAGKNIANPSGLLNAAVHMLIYIGQADVAKLVHDAWLKTLEDGIHTADLYKEKKSKQKVGTKEFAEAVIDNIGKKPGILPELIISNGVSSKISKIQGNCEQDYKVRKLVGSDITLAWDKSSNFNQIVKLFESSNPKVIAIYSKGLAIWPGDSKSLSDQVTCRFIANNEKKTITNIDVNNLLIKLERNSFDVVRMDKLYLYDEKEGFFS |
| Complex: ICT_A_4(1CW7) / Model_60(1CW7/A) = [3.2]
| Download | 729.31 | 4.78 | MSTPITVAYGDGIGPEIMEAVLSMLREAEAKISIDVIEIGERVYNKEWSYGISPSGWESIERTKVLLKSPTTTSQGKGHKSLNVALRKSLGLYANIRPCTSYHPVIENKFDRFDIVVIRENEEDVYTGIEHRLTGNSYQCTKIITRSGSEKICRYAFNYAKRHNRKKVTCLTKDNIMKMTDGIFHTAFDSIAKEYPDIKAEHYIVDIGMARVATEPENFDVIVTENLYGDILSDIVAQTSGSVGLAGSSNIGSEYAMFEAVHGSAPNIAGKNIANPSGLLNAAVHMLIYIGQADVAKLVHDAWLKTLEDGIHTADLYKEKKSKQKVGTKEFAEAVIDNIGKKPGILPELIISNGVSSKISKIQGNCEQDYKVRKLVGSDITLAWDKSSNFNQIVKLFESSNPKVIAIYSKGLAIWPGDSKSLSDQVTCRFIANNEKKTITNIDVNNLLIKLERNSFDVVRMDKLYLYDEKEGFFS |
| Complex: ICT_A_6(1XKD) / Model_19(1XKD/A) = [3.3]
| Download | 662.25 | -0.45 | MSTPITVAYGDGIGPEIMEAVLSMLREAEAKISIDVIEIGERVYNKEWSYGISPSGWESIERTKVLLKSPTTTSQGKGHKSLNVALRKSLGLYANIRPCTSYHPVIENKFDRFDIVVIRENEEDVYTGIEHRLTGNSYQCTKIITRSGSEKICRYAFNYAKRHNRKKVTCLTKDNIMKMTDGIFHTAFDSIAKEYPDIKAEHYIVDIGMARVATEPENFDVIVTENLYGDILSDIVAQTSGSVGLAGSSNIGSEYAMFEAVHGSAPNIAGKNIANPSGLLNAAVHMLIYIGQADVAKLVHDAWLKTLEDGIHTADLYKEKKSKQKVGTKEFAEAVIDNIGKKPGILPELIISNGVSSKISKIQGNCEQDYKVRKLVGSDITLAWDKSSNFNQIVKLFESSNPKVIAIYSKGLAIWPGDSKSLSDQVTCRFIANNEKKTITNIDVNNLLIKLERNSFDVVRMDKLYLYDEKEGFFS |
| Complex: ICT_A_3(5ICD) / Model_51(5ICD/A) = [3.4]
| Download | 674.10 | 1.19 | MSTPITVAYGDGIGPEIMEAVLSMLREAEAKISIDVIEIGERVYNKEWSYGISPSGWESIERTKVLLKSPTTTSQGKGHKSLNVALRKSLGLYANIRPCTSYHPVIENKFDRFDIVVIRENEEDVYTGIEHRLTGNSYQCTKIITRSGSEKICRYAFNYAKRHNRKKVTCLTKDNIMKMTDGIFHTAFDSIAKEYPDIKAEHYIVDIGMARVATEPENFDVIVTENLYGDILSDIVAQTSGSVGLAGSSNIGSEYAMFEAVHGSAPNIAGKNIANPSGLLNAAVHMLIYIGQADVAKLVHDAWLKTLEDGIHTADLYKEKKSKQKVGTKEFAEAVIDNIGKKPGILPELIISNGVSSKISKIQGNCEQDYKVRKLVGSDITLAWDKSSNFNQIVKLFESSNPKVIAIYSKGLAIWPGDSKSLSDQVTCRFIANNEKKTITNIDVNNLLIKLERNSFDVVRMDKLYLYDEKEGFFS |
| Complex: GOL_B_12(3TY4) / Model_46(3TY4/B) = [3.4]
| Download | 526.75 | 18.70 | MSTPITVAYGDGIGPEIMEAVLSMLREAEAKISIDVIEIGERVYNKEWSYGISPSGWESIERTKVLLKSPTTTSQGKGHKSLNVALRKSLGLYANIRPCTSYHPVIENKFDRFDIVVIRENEEDVYTGIEHRLTGNSYQCTKIITRSGSEKICRYAFNYAKRHNRKKVTCLTKDNIMKMTDGIFHTAFDSIAKEYPDIKAEHYIVDIGMARVATEPENFDVIVTENLYGDILSDIVAQTSGSVGLAGSSNIGSEYAMFEAVHGSAPNIAGKNIANPSGLLNAAVHMLIYIGQADVAKLVHDAWLKTLEDGIHTADLYKEKKSKQKVGTKEFAEAVIDNIGKKPGILPELIISNGVSSKISKIQGNCEQDYKVRKLVGSDITLAWDKSSNFNQIVKLFESSNPKVIAIYSKGLAIWPGDSKSLSDQVTCRFIANNEKKTITNIDVNNLLIKLERNSFDVVRMDKLYLYDEKEGFFS |
Consensus
[pKd Mean = 3.30] | - | 682
(s=95) | 7
(s=7) | MSTPITVAYGDGIGPEIMEAVLSMLREAEAKISIDVIEIGERVYNKEWSYGISPSGWESIERTKVLLKSPTTTSQGKGHKSLNVALRKSLGLYANIRPCTSYHPVIENKFDRFDIVVIRENEEDVYTGIEHRLTGNSYQCTKIITRSGSEKICRYAFNYAKRHNRKKVTCLTKDNIMKMTDGIFHTAFDSIAKEYPDIKAEHYIVDIGMARVATEPENFDVIVTENLYGDILSDIVAQTSGSVGLAGSSNIGSEYAMFEAVHGSAPNIAGKNIANPSGLLNAAVHMLIYIGQADVAKLVHDAWLKTLEDGIHTADLYKEKKSKQKVGTKEFAEAVIDNIGKKPGILPELIISNGVSSKISKIQGNCEQDYKVRKLVGSDITLAWDKSSNFNQIVKLFESSNPKVIAIYSKGLAIWPGDSKSLSDQVTCRFIANNEKKTITNIDVNNLLIKLERNSFDVVRMDKLYLYDEKEGFFS |