MODEL 1 REMARK VINA RESULT: -3.2 0.000 0.000 REMARK 1 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C7_1593 and O8_1594 ROOT HETATM 1 C1 4DX A 201 19.198 4.142 27.081 1.00 61.25 0.003 C HETATM 2 C2 4DX A 201 19.655 4.501 25.645 1.00 61.01 0.027 C HETATM 3 C3 4DX A 201 19.372 3.295 24.786 1.00 60.71 0.002 C HETATM 4 C4 4DX A 201 18.306 3.489 23.743 1.00 60.60 0.000 C HETATM 5 C5 4DX A 201 17.058 4.197 24.197 1.00 60.51 0.003 C HETATM 6 C6 4DX A 201 17.421 5.505 24.854 1.00 60.76 0.029 C HETATM 7 C7 4DX A 201 18.857 5.718 25.235 1.00 60.86 0.111 C ENDROOT BRANCH 7 8 HETATM 8 O8 4DX A 201 19.599 6.586 24.422 1.00 60.79 -0.385 OA HETATM 9 H8 4DX A 201 19.536 6.356 23.502 1.00 0.00 0.210 HD ENDBRANCH 7 8 TORSDOF 1 ENDMDL MODEL 2 REMARK VINA RESULT: -3.2 1.492 2.688 REMARK 1 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C7_1593 and O8_1594 ROOT HETATM 1 C1 4DX A 201 19.623 3.999 23.361 1.00 61.25 0.003 C HETATM 2 C2 4DX A 201 18.449 3.895 24.367 1.00 61.01 0.027 C HETATM 3 C3 4DX A 201 19.026 3.356 25.651 1.00 60.71 0.002 C HETATM 4 C4 4DX A 201 19.014 4.314 26.810 1.00 60.60 0.000 C HETATM 5 C5 4DX A 201 19.456 5.721 26.508 1.00 60.51 0.003 C HETATM 6 C6 4DX A 201 18.671 6.267 25.342 1.00 60.76 0.029 C HETATM 7 C7 4DX A 201 17.888 5.291 24.512 1.00 60.86 0.111 C ENDROOT BRANCH 7 8 HETATM 8 O8 4DX A 201 16.498 5.284 24.699 1.00 60.79 -0.385 OA HETATM 9 H8 4DX A 201 16.035 4.996 23.921 1.00 0.00 0.210 HD ENDBRANCH 7 8 TORSDOF 1 ENDMDL MODEL 3 REMARK VINA RESULT: -3.1 1.525 2.271 REMARK 1 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C7_1593 and O8_1594 ROOT HETATM 1 C1 4DX A 201 18.932 4.303 26.783 1.00 61.25 0.003 C HETATM 2 C2 4DX A 201 18.588 5.363 25.707 1.00 61.01 0.027 C HETATM 3 C3 4DX A 201 19.897 5.814 25.110 1.00 60.71 0.002 C HETATM 4 C4 4DX A 201 20.106 5.437 23.669 1.00 60.60 0.000 C HETATM 5 C5 4DX A 201 19.741 4.025 23.295 1.00 60.51 0.003 C HETATM 6 C6 4DX A 201 18.330 3.727 23.736 1.00 60.76 0.029 C HETATM 7 C7 4DX A 201 17.688 4.677 24.705 1.00 60.86 0.111 C ENDROOT BRANCH 7 8 HETATM 8 O8 4DX A 201 16.722 5.548 24.181 1.00 60.79 -0.385 OA HETATM 9 H8 4DX A 201 15.854 5.366 24.520 1.00 0.00 0.210 HD ENDBRANCH 7 8 TORSDOF 1 ENDMDL