Ligand | ∆G Binding | Conventional Hidrogen Bond | Hydrophobic Interactions | Others |
*TST | −8.3711 | Met374 | Trp224 Phe221 Phe134 Ile133 Val370 Met374 Ile305 Ala306 Val373 Leu372 Leu477 |
|
1 | −11.3929 | Met374 | Trp224 Phe221 Phe134 Ile133 Val370 Met374 Ile305 Ala306 Val373 Leu372 Leu477 Ala307 Met311 Ala443 Phe430 Val369 Pro429 Met364 Ile132 Leu152 Met303 Ala438 Met446 Phe148 Ile442 | Gly439 |
2 | −12.0826 | Met374 | Trp224 Phe221 Phe134 Ile133 Val370 Met374 Ile305 Ala306 Val373 Leu372 Leu477 Ala307 Met311 Ala443 Phe430 Val369 Pro429 Met364 Pro368 | Val369 Val370 |
3 | −11.3581 | Met374 Ala438 | Trp224 Phe221 Phe134 Ile133 Val370 Met374 Ile305 Ala306 Val373 Leu372 Leu477 Ala307 Met311 Ala443 Ile132 Leu152 Met303 Ala438 Met446 Phe148 Ile442 |
|
4 | −11.7687 | Met374 | Trp224 Phe221 Phe134 Ile133 Val370 Met374 Ile305 Ala306 Val373 Leu372 Leu477 Ala307 Met311 Ala443 Phe430 Pro429 Met364 Leu152 Met303 Ala438 Met446 Met447 |
|
5 | −12.0233 | Met374 | Trp224 Phe221 Phe134 Ile133 Val370 Met374 Ile305 Ala306 Val373 Leu372 Leu477 Ala307 Met311 Ala443 Phe430 Val369 Pro429 Met364Ile132 Leu152 Met303 Ala438 Met446 Phe148 Met447 Phe203 | Met303 Val370 Ala438 |
6 | −11.7957 | Met374 | Trp224 Phe221 Phe134 Ile133 Val370 Met374 Ile305 Ala306 Val373 Leu372 Leu477 Ala307 Met311 Ala443Ile132 Leu152 Met303 Ala438 Met446 Phe148 Ile442 | Met303 Cys437 |