| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: ADP_E_5(2GKS) / Model_22(2GKS/B) = [7.2]
| Download | 717.61 | 12.08 | MSLAPHGGTLVNRVDESYDVSGIQKEIELDLISFADLELIGIGAYSPIEGFFNEKDYVSVVENMRLSSGVVWSLPITLPVDAQKAAELSLGETVKLTYEGETYGVIQIEDLYVPDKQKEAVNVYKTDEQEHPGVKKLFSRGNTYVGGPITLIKKASKQFPEFTFEPSETRRQFAEKGWETIVGFQTRNPVHRAHEYIQKTALETVDGLFLNPLVGETKSDDIPADVRMESYQVLLDHYYPKDRVFLGVFLAAMRYAGPREAIFHALVRKNYGCTHFIVGRDHAGVGDYYGTYEAQELFDTFKPEELGITPLKFEHSFFCKKCGNMGTAKTCPHGREHHVILSGTKVRGMLRDGVLPPAEFSRKEVVEVLIKGMKKKEEVGVS |
| Complex: ADX_B_15(1V47) / Model_21(1V47/B) = [7.3]
| Download | 847.21 | 6.37 | MSLAPHGGTLVNRVDESYDVSGIQKEIELDLISFADLELIGIGAYSPIEGFFNEKDYVSVVENMRLSSGVVWSLPITLPVDAQKAAELSLGETVKLTYEGETYGVIQIEDLYVPDKQKEAVNVYKTDEQEHPGVKKLFSRGNTYVGGPITLIKKASKQFPEFTFEPSETRRQFAEKGWETIVGFQTRNPVHRAHEYIQKTALETVDGLFLNPLVGETKSDDIPADVRMESYQVLLDHYYPKDRVFLGVFLAAMRYAGPREAIFHALVRKNYGCTHFIVGRDHAGVGDYYGTYEAQELFDTFKPEELGITPLKFEHSFFCKKCGNMGTAKTCPHGREHHVILSGTKVRGMLRDGVLPPAEFSRKEVVEVLIKGMKKKEEVGVS |
| Complex: ADP_D_4(2GKS) / Model_2(2GKS/A) = [7.5]
| Download | 718.13 | 5.41 | MSLAPHGGTLVNRVDESYDVSGIQKEIELDLISFADLELIGIGAYSPIEGFFNEKDYVSVVENMRLSSGVVWSLPITLPVDAQKAAELSLGETVKLTYEGETYGVIQIEDLYVPDKQKEAVNVYKTDEQEHPGVKKLFSRGNTYVGGPITLIKKASKQFPEFTFEPSETRRQFAEKGWETIVGFQTRNPVHRAHEYIQKTALETVDGLFLNPLVGETKSDDIPADVRMESYQVLLDHYYPKDRVFLGVFLAAMRYAGPREAIFHALVRKNYGCTHFIVGRDHAGVGDYYGTYEAQELFDTFKPEELGITPLKFEHSFFCKKCGNMGTAKTCPHGREHHVILSGTKVRGMLRDGVLPPAEFSRKEVVEVLIKGMKKKEEVGVS |
| Complex: ADP_D_4(2GKS) / Model_39(2GKS/A) = [7.5]
| Download | 735.71 | 5.41 | MSLAPHGGTLVNRVDESYDVSGIQKEIELDLISFADLELIGIGAYSPIEGFFNEKDYVSVVENMRLSSGVVWSLPITLPVDAQKAAELSLGETVKLTYEGETYGVIQIEDLYVPDKQKEAVNVYKTDEQEHPGVKKLFSRGNTYVGGPITLIKKASKQFPEFTFEPSETRRQFAEKGWETIVGFQTRNPVHRAHEYIQKTALETVDGLFLNPLVGETKSDDIPADVRMESYQVLLDHYYPKDRVFLGVFLAAMRYAGPREAIFHALVRKNYGCTHFIVGRDHAGVGDYYGTYEAQELFDTFKPEELGITPLKFEHSFFCKKCGNMGTAKTCPHGREHHVILSGTKVRGMLRDGVLPPAEFSRKEVVEVLIKGMKKKEEVGVS |
| Complex: ADX_A_14(1V47) / Model_41(1V47/A) = [8.2]
| Download | 782.25 | 7.50 | MSLAPHGGTLVNRVDESYDVSGIQKEIELDLISFADLELIGIGAYSPIEGFFNEKDYVSVVENMRLSSGVVWSLPITLPVDAQKAAELSLGETVKLTYEGETYGVIQIEDLYVPDKQKEAVNVYKTDEQEHPGVKKLFSRGNTYVGGPITLIKKASKQFPEFTFEPSETRRQFAEKGWETIVGFQTRNPVHRAHEYIQKTALETVDGLFLNPLVGETKSDDIPADVRMESYQVLLDHYYPKDRVFLGVFLAAMRYAGPREAIFHALVRKNYGCTHFIVGRDHAGVGDYYGTYEAQELFDTFKPEELGITPLKFEHSFFCKKCGNMGTAKTCPHGREHHVILSGTKVRGMLRDGVLPPAEFSRKEVVEVLIKGMKKKEEVGVS |
Consensus
[pKd Mean = 7.54] | - | 760
(s=49) | 7
(s=2) | MSLAPHGGTLVNRVDESYDVSGIQKEIELDLISFADLELIGIGAYSPIEGFFNEKDYVSVVENMRLSSGVVWSLPITLPVDAQKAAELSLGETVKLTYEGETYGVIQIEDLYVPDKQKEAVNVYKTDEQEHPGVKKLFSRGNTYVGGPITLIKKASKQFPEFTFEPSETRRQFAEKGWETIVGFQTRNPVHRAHEYIQKTALETVDGLFLNPLVGETKSDDIPADVRMESYQVLLDHYYPKDRVFLGVFLAAMRYAGPREAIFHALVRKNYGCTHFIVGRDHAGVGDYYGTYEAQELFDTFKPEELGITPLKFEHSFFCKKCGNMGTAKTCPHGREHHVILSGTKVRGMLRDGVLPPAEFSRKEVVEVLIKGMKKKEEVGVS |