[RotLib] FilePath = /bmlfast/bml_casp15/tools/casp14/DeepRank_db_tools//tools/scwrl4/bbDepRotLib.bin Interpolation = OFF EnableProtonation = FALSE AccountForLocalBackbone = YES [HydrogenBonds] qq_Boost = 35 OptDistance = 2.08 OptDistVar = 0.67 Max_H_angle = 37 Max_O_angle = 49 [VdW_EnergyFunction] extra_coeff_for_electrostatic_term = 0 [SelfEnergyDifferenceThresholds] Water = 30 Residue = 30 [Params_ALL] MaxProbabilitySum = 0.98 ; frmSigmaBoost = 0 ; Uncomment the line above to disable flexible subrotamers [Extra_ARG] cLogCoeff = 2.27136 cfrmRT = 1.22528 cfrmSB_Chi1 = 0.87215 cfrmSB_Chi2 = 1.6168 cfrmSB_Chi3 = 1.6707 cfrmSB_Chi4 = 0.72962 [Extra_ASN] cLogCoeff = 1.804 cfrmRT = 1.40813 cfrmSB_Chi1 = 0.61874 cfrmSB_Chi2 = 1.9251 [Extra_ASP] cLogCoeff = 2.43989 cfrmRT = 1.48445 cfrmSB_Chi1 = 1.5856 cfrmSB_Chi2 = 0.63159 [Extra_CYS] cLogCoeff = 4.07102 cfrmRT = 1.68505 cfrmSB_Chi1 = 1.6894 [Extra_GLN] cLogCoeff = 1.60654 cfrmRT = 1.32492 cfrmSB_Chi1 = 1.5519 cfrmSB_Chi2 = 0.52961 cfrmSB_Chi3 = 1.8887 [Extra_GLU] cLogCoeff = 1.85 cfrmRT = 0.943779 cfrmSB_Chi1 = 0.81596 cfrmSB_Chi2 = 1.5665 cfrmSB_Chi3 = 0.75854 [Extra_HIS] cLogCoeff = 2.01304 cfrmRT = 1.34945 cfrmSB_Chi1 = 1.8415 cfrmSB_Chi2 = 0.85489 [Extra_ILE] cLogCoeff = 2.17955 cfrmRT = 2.03477 cfrmSB_Chi1 = 1.23 cfrmSB_Chi2 = 0.9791 [Extra_LEU] cLogCoeff = 2.24844 cfrmRT = 2.54856 cfrmSB_Chi1 = 1.1456 cfrmSB_Chi2 = 1.4779 [Extra_LYS] cLogCoeff = 2.13462 cfrmRT = 1.27397 cfrmSB_Chi1 = 1.6202 cfrmSB_Chi2 = 0.9916 cfrmSB_Chi3 = 0.96254 cfrmSB_Chi4 = 1.4867 [Extra_MET] cLogCoeff = 1.94897 cfrmRT = 1.76939 cfrmSB_Chi1 = 0.96706 cfrmSB_Chi2 = 1.5385 cfrmSB_Chi3 = 1.2078 [Extra_PHE] cLogCoeff = 1.70626 cfrmRT = 1.06865 cfrmSB_Chi1 = 1.4508 cfrmSB_Chi2 = 1.3503 [Extra_PRO] cLogCoeff = 0.764107 cfrmRT = 2.61969 cfrmSB_Chi1 = 0.78273 cfrmSB_Chi2 = 1.2661 [Extra_SER] cLogCoeff = 2.77538 cfrmRT = 3.52616 cfrmSB_Chi1 = 0.65411 cfrmSB_Chi2 = 2.9784 [Extra_THR] cLogCoeff = 2.962 cfrmRT = 1.11365 cfrmSB_Chi1 = 0.87517 cfrmSB_Chi2 = 0.87851 [Extra_TRP] cLogCoeff = 3.23628 cfrmRT = 0.989512 cfrmSB_Chi1 = 1.2814 cfrmSB_Chi2 = 1.4819 [Extra_TYR] cLogCoeff = 1.99712 cfrmRT = 1.9566 cfrmSB_Chi1 = 1.4766 cfrmSB_Chi2 = 0.72652 cfrmSB_Chi3 = 0.95599 [Extra_VAL] cLogCoeff = 1.61709 cfrmRT = 2.20476 cfrmSB_Chi1 = 2.0882 [Extra_ALA] cLogCoeff = 1 cfrmRT = 2 [Extra_GLY] cLogCoeff = 1 cfrmRT = 2