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