Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
Complex: ATP_C_3(1VCI) / Model_10(1VCI/A) = [4.1]
| Download | 1043.95 | 5.00 | MIETRNLGKRFGSRVAVDDLSFQVETGEVLGFLGPNGAGKSTTMKMLTGFLAPCAGTASIFGFDIRNRTLQAQRLIGYLPEGSPCYAEMTVQGFLDFIAEIRGYRGAGKRERVARALGLLELDEVRRQTIETLSKGFRRRVGLAQAILHEPRALVLDEPTDGLDPNQKHQVRELIRGLAQERIVIISTHILEEVSALCSRALVIGGGRLLADSTPLELASRSRYHQAVTLYSDEPLDAVALAVLPGVAGIEENPAEGSLTVLAQPGAVIFPQVSGLVAERGWRIRELDVERGRLDEVFRNLTRGTEA |
Complex: ADP_A_3(4YER) / Model_2(4YER/A) = [4.9]
| Download | 1053.61 | 13.47 | MIETRNLGKRFGSRVAVDDLSFQVETGEVLGFLGPNGAGKSTTMKMLTGFLAPCAGTASIFGFDIRNRTLQAQRLIGYLPEGSPCYAEMTVQGFLDFIAEIRGYRGAGKRERVARALGLLELDEVRRQTIETLSKGFRRRVGLAQAILHEPRALVLDEPTDGLDPNQKHQVRELIRGLAQERIVIISTHILEEVSALCSRALVIGGGRLLADSTPLELASRSRYHQAVTLYSDEPLDAVALAVLPGVAGIEENPAEGSLTVLAQPGAVIFPQVSGLVAERGWRIRELDVERGRLDEVFRNLTRGTEA |
Complex: ADP_A_3(4P32) / Model_3(4P32/A) = [6.8]
| Download | 852.15 | 1.06 | MIETRNLGKRFGSRVAVDDLSFQVETGEVLGFLGPNGAGKSTTMKMLTGFLAPCAGTASIFGFDIRNRTLQAQRLIGYLPEGSPCYAEMTVQGFLDFIAEIRGYRGAGKRERVARALGLLELDEVRRQTIETLSKGFRRRVGLAQAILHEPRALVLDEPTDGLDPNQKHQVRELIRGLAQERIVIISTHILEEVSALCSRALVIGGGRLLADSTPLELASRSRYHQAVTLYSDEPLDAVALAVLPGVAGIEENPAEGSLTVLAQPGAVIFPQVSGLVAERGWRIRELDVERGRLDEVFRNLTRGTEA |
Complex: ADP_A_3(4P31) / Model_7(4P31/A) = [6.8]
| Download | 759.06 | 18.81 | MIETRNLGKRFGSRVAVDDLSFQVETGEVLGFLGPNGAGKSTTMKMLTGFLAPCAGTASIFGFDIRNRTLQAQRLIGYLPEGSPCYAEMTVQGFLDFIAEIRGYRGAGKRERVARALGLLELDEVRRQTIETLSKGFRRRVGLAQAILHEPRALVLDEPTDGLDPNQKHQVRELIRGLAQERIVIISTHILEEVSALCSRALVIGGGRLLADSTPLELASRSRYHQAVTLYSDEPLDAVALAVLPGVAGIEENPAEGSLTVLAQPGAVIFPQVSGLVAERGWRIRELDVERGRLDEVFRNLTRGTEA |
Complex: ADP_B_5(4P32) / Model_22(4P32/B) = [7.4]
| Download | 830.47 | 0.71 | MIETRNLGKRFGSRVAVDDLSFQVETGEVLGFLGPNGAGKSTTMKMLTGFLAPCAGTASIFGFDIRNRTLQAQRLIGYLPEGSPCYAEMTVQGFLDFIAEIRGYRGAGKRERVARALGLLELDEVRRQTIETLSKGFRRRVGLAQAILHEPRALVLDEPTDGLDPNQKHQVRELIRGLAQERIVIISTHILEEVSALCSRALVIGGGRLLADSTPLELASRSRYHQAVTLYSDEPLDAVALAVLPGVAGIEENPAEGSLTVLAQPGAVIFPQVSGLVAERGWRIRELDVERGRLDEVFRNLTRGTEA |
Consensus [pKd Mean = 6.00] | - | 907 (s=119) | 7 (s=7) | MIETRNLGKRFGSRVAVDDLSFQVETGEVLGFLGPNGAGKSTTMKMLTGFLAPCAGTASIFGFDIRNRTLQAQRLIGYLPEGSPCYAEMTVQGFLDFIAEIRGYRGAGKRERVARALGLLELDEVRRQTIETLSKGFRRRVGLAQAILHEPRALVLDEPTDGLDPNQKHQVRELIRGLAQERIVIISTHILEEVSALCSRALVIGGGRLLADSTPLELASRSRYHQAVTLYSDEPLDAVALAVLPGVAGIEENPAEGSLTVLAQPGAVIFPQVSGLVAERGWRIRELDVERGRLDEVFRNLTRGTEA |