# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3m2w # POINT_FILE ./pocket_res_ptf/3m2w_L8I_A_1.ptf # PROPERTIES ATOM_TYPE_IS_C, ATOM_TYPE_IS_CT, ATOM_TYPE_IS_CA, # PROPERTIES ATOM_TYPE_IS_N, ATOM_TYPE_IS_N2, ATOM_TYPE_IS_N3, # PROPERTIES ATOM_TYPE_IS_NA, ATOM_TYPE_IS_O, ATOM_TYPE_IS_O2, # PROPERTIES ATOM_TYPE_IS_OH, ATOM_TYPE_IS_S, ATOM_TYPE_IS_SH, # PROPERTIES ATOM_TYPE_IS_OTHER, PARTIAL_CHARGE, ELEMENT_IS_ANY, # PROPERTIES ELEMENT_IS_C, ELEMENT_IS_N, ELEMENT_IS_O, ELEMENT_IS_S, # PROPERTIES ELEMENT_IS_OTHER, HYDROXYL, AMIDE, AMINE, CARBONYL, # PROPERTIES RING_SYSTEM, PEPTIDE, VDW_VOLUME, CHARGE, NEG_CHARGE, # PROPERTIES POS_CHARGE, CHARGE_WITH_HIS, HYDROPHOBICITY, MOBILITY, # PROPERTIES SOLVENT_ACCESSIBILITY, RESIDUE_NAME_IS_ALA, # PROPERTIES RESIDUE_NAME_IS_ARG, RESIDUE_NAME_IS_ASN, RESIDUE_NAME_IS_ASP, # PROPERTIES RESIDUE_NAME_IS_CYS, RESIDUE_NAME_IS_GLN, RESIDUE_NAME_IS_GLU, # PROPERTIES RESIDUE_NAME_IS_GLY, RESIDUE_NAME_IS_HIS, RESIDUE_NAME_IS_ILE, # PROPERTIES RESIDUE_NAME_IS_LEU, RESIDUE_NAME_IS_LYS, RESIDUE_NAME_IS_MET, # PROPERTIES RESIDUE_NAME_IS_PHE, RESIDUE_NAME_IS_PRO, RESIDUE_NAME_IS_SER, # PROPERTIES RESIDUE_NAME_IS_THR, RESIDUE_NAME_IS_TRP, RESIDUE_NAME_IS_TYR, # PROPERTIES RESIDUE_NAME_IS_VAL, RESIDUE_NAME_IS_HOH, # PROPERTIES RESIDUE_NAME_IS_OTHER, RESIDUE_CLASS1_IS_HYDROPHOBIC, # PROPERTIES RESIDUE_CLASS1_IS_CHARGED, RESIDUE_CLASS1_IS_POLAR, # PROPERTIES RESIDUE_CLASS1_IS_UNKNOWN, RESIDUE_CLASS2_IS_NONPOLAR, # PROPERTIES RESIDUE_CLASS2_IS_POLAR, RESIDUE_CLASS2_IS_BASIC, # PROPERTIES RESIDUE_CLASS2_IS_ACIDIC, RESIDUE_CLASS2_IS_UNKNOWN, # PROPERTIES SECONDARY_STRUCTURE1_IS_3HELIX, SECONDARY_STRUCTURE1_IS_4HELIX, # PROPERTIES SECONDARY_STRUCTURE1_IS_5HELIX, SECONDARY_STRUCTURE1_IS_BRIDGE, # PROPERTIES SECONDARY_STRUCTURE1_IS_STRAND, SECONDARY_STRUCTURE1_IS_TURN, # PROPERTIES SECONDARY_STRUCTURE1_IS_BEND, SECONDARY_STRUCTURE1_IS_COIL, # PROPERTIES SECONDARY_STRUCTURE1_IS_HET, SECONDARY_STRUCTURE1_IS_UNKNOWN, # PROPERTIES SECONDARY_STRUCTURE2_IS_HELIX, SECONDARY_STRUCTURE2_IS_BETA, # PROPERTIES SECONDARY_STRUCTURE2_IS_COIL, SECONDARY_STRUCTURE2_IS_HET, # PROPERTIES SECONDARY_STRUCTURE2_IS_UNKNOWN # SHELLS 6 # SHELL_WIDTH 1.25 # VERBOSITY 0 Env_3m2w_0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0518 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 24 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.4156 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 239 0 0 0 1 1 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 4 1 0 1 0 0 0 0 0 0 0 0 6 0 0 0 0 6 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 -1.1947 4 2 0 2 0 0 0 0 0 2 0 2 90.008 0 0 0 0 0 5 114 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 1 0 0 0 2 0 2 0 2 2 0 0 0 0 0 0 0 1 0 0 3 0 0 0 1 3 0 0 3 6 0 3 0 0 0 2 1 0 0 1 0 -2.3237 16 9 3 3 1 0 0.5 3 0 2.5 0 11 407.647 0.333 0.333 0 0.333 -5 10 775 0 0 0 4 4 0 1 1 0 0 1 0 0 0 0 0 4 0 1 0 0 0 1 5 9 1 1 10 0 5 0 0 0 0 0 1 0 5 10 0 0 0 6 10 0 0 3 8 0 3 0 0 0 2 1 0 0 0 0 -1.3254 17 11 3 3 0 0 0 3 0 2.5 0 9 435.215 0.666 0.666 0 0.666 -1 16 709 0 0 0 3 0 0 2 2 0 0 5 0 0 0 0 1 2 0 2 0 0 0 5 5 5 2 5 7 0 5 0 0 0 0 0 7 0 4 6 0 0 0 11 6 0 0 4 15 0 2 0 0 0 2 2 1 0 0 0 -2.4577 26 19 2 5 0 0 1 2 0 3 0 11 720.452 0.999 0.999 0 0.999 1 32 667 1 0 0 0 0 0 6 4 0 1 3 3 0 0 0 3 2 0 1 2 0 0 7 9 6 4 7 10 3 6 0 0 0 0 0 8 0 5 13 0 0 0 13 13 0 0 # 39.78 2.51 11.35 Env_3m2w_1 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0388 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 22 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 2 1 0 2 0 0 0 1 0 1 0 0 0 -0.6162 7 3 2 2 0 0 1 2 0 1 0 5 157.455 0 0 0 0 -4 3 152 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 5 0 0 0 0 0 1 1 5 0 1 5 0 1 0 0 0 0 0 1 0 0 6 0 0 0 1 6 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 -1.3795 3 1 0 2 0 0 0 0 0 2 0 2 56.498 0 0 0 0 -1 2 37 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 1 0 2 0 1 2 0 0 0 1 0 0 0 1 0 0 1 0 0 1 1 1 0 0 2 9 0 1 0 0 1 1 0 0 0 0 0 -0.5885 14 11 2 1 0 0 0 1.5 0.5 1 1 6 414.82 0 0 0 0.5 4 15 183 0 0 2 3 0 0 0 0 1 0 5 1 0 0 0 0 0 0 0 2 0 0 7 4 3 0 7 2 2 3 0 2 0 0 0 6 0 0 6 0 0 2 6 6 0 0 3 8 5 4 0 0 2 2 0 0 0 0 0 -3.7047 24 16 6 2 0 0 0 5 1 2 7 8 599.897 0.333 0.333 0 1.333 -1 46 218 0 0 4 2 0 0 0 0 5 1 4 2 0 3 0 0 0 0 0 3 0 0 11 4 9 0 11 4 7 2 0 4 3 0 1 5 0 0 11 0 0 7 6 11 0 0 4 14 7 3 0 1 1 4 2 0 1 0 0 -4.886 37 25 5 6 1 0 0 3.5 1.5 5 8 15 961.83 1.666 0.666 1 2.166 6 58 528 0 0 1 3 0 0 2 0 5 4 9 3 2 6 0 0 0 0 0 2 0 0 23 8 6 0 23 1 8 5 0 3 2 0 4 14 1 0 13 0 0 5 19 13 0 0 # 44.48 5.19 19.44 Env_3m2w_2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 -0.5579 1 0 0 1 0 0 1 0 0 0 0 0 17.157 0 0 0 0 -1 6 137 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0.0886 2 2 0 0 0 0 0 0 0 0 2 0 47.1 0 0 0 0 1 9 274 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 3 2 0 0 0 0 1 0 0 0 0 0 -0.8591 6 5 0 1 0 0 0 0 0 1 2 2 165.066 0 0 0 0 2 12 698 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 3 0 0 2 0 0 0 1 0 5 0 1 5 0 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 2 4 2 1 0 0 0 1 0 1 1 0 0 -1.2091 12 8 1 2 1 0 1 1 0 1 2 4 317.469 0 0 0 0 4 15 969 1 0 0 0 0 0 0 0 0 0 1 1 2 0 0 3 2 0 2 0 0 0 4 1 7 0 4 7 1 0 0 0 0 0 0 11 1 0 0 0 0 0 12 0 0 0 # 27.44 17.34 16.52 Env_3m2w_3 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0518 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 39 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.3149 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 181 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 1 0 0 0 5 0 1 0 5 1 0 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 -1.1947 4 2 0 2 0 0 0 0 0 2 0 2 90.008 0 0 0 0 0 5 104 0 0 0 0 0 0 0 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 3 0 0 1 3 1 0 0 0 0 0 0 0 3 0 0 1 0 0 0 3 1 0 0 4 7 0 4 0 0 0 2 0 0 0 0 0 -1.3505 17 11 4 2 0 0 0 4 0 2 0 13 448.146 0 0 0 0 -2 8 385 0 0 0 0 0 0 3 1 0 0 6 3 0 0 0 0 0 0 4 0 0 0 6 6 4 1 6 5 3 3 0 0 1 0 3 12 0 0 1 0 0 1 15 1 0 0 3 16 4 3 0 0 0 5 0 0 0 0 0 -3.1555 31 23 3 5 0 0 0 3 0 5 4 15 836.713 0 0 0 0 8 32 680 0 0 2 0 0 0 4 3 0 1 12 3 0 0 0 0 2 0 4 0 0 0 13 7 8 3 13 11 3 4 0 3 2 0 3 13 0 2 8 0 0 5 18 8 0 0 9 12 1 5 0 0 0 3 0 1 0 0 0 -0.7418 31 22 5 4 0 0 1 5 0 3 2 21 826.693 0.333 0.333 0 0.333 -3 29 665 0 0 2 2 0 0 2 3 0 1 12 0 0 0 2 0 5 0 2 0 0 0 15 4 9 3 15 12 0 4 0 5 2 0 1 9 0 4 10 0 0 7 14 10 0 0 # 41.32 -0.84 16.57 Env_3m2w_4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 0 1 1 0 0 -2.0277 9 6 0 2 1 0 1 0 0 1 3 1 229.323 0 0 0 0 4 29 757 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 1 0 4 1 0 0 4 0 5 0 4 5 0 0 0 0 0 0 0 9 0 0 0 0 0 0 9 0 0 0 2 4 3 0 0 0 0 1 0 0 0 0 0 0.1078 10 9 0 1 0 0 0 0 0 1 3 4 286.175 0 0 0 0 5 14 808 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 1 0 3 3 0 0 5 0 5 0 5 5 0 0 0 0 0 0 0 10 0 0 0 0 0 0 10 0 0 0 2 12 0 3 0 0 0 2 0 0 0 0 0 -2.3561 19 14 3 2 0 0 0 3 0 2 0 10 534.539 0 0 0 0 3 16 980 0 0 0 0 0 1 0 0 0 1 7 0 1 0 0 4 2 0 1 2 0 0 11 0 8 0 11 8 0 0 0 0 0 0 0 19 0 0 0 0 0 0 19 0 0 0 # 30.13 17.86 13.88 Env_3m2w_5 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0337 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 19 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.3872 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 93 4 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 -0.5679 1 0 0 1 0 0 0 0 0 1 0 1 11.494 0 0 0 0 -1 0 16 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 2 6 0 2 0 0 0 2 0 0 0 0 0 -1.3334 12 8 2 2 0 0 0 2 0 2 0 8 319.342 0 0 0 0 0 6 157 0 0 0 0 0 0 0 0 0 1 4 0 3 3 0 0 0 0 0 1 0 0 12 0 0 0 12 0 0 0 0 0 0 0 0 12 0 0 0 0 0 0 12 0 0 0 6 15 2 6 0 0 0 4 0 0 0 1 0 -2.0523 34 23 6 4 1 0 0.5 6 0 4 2 23 908.129 0 0 0 0 -2 21 600 0 0 0 0 4 3 4 0 0 8 5 2 3 2 0 0 0 0 0 3 0 0 21 6 7 0 21 7 2 4 0 0 0 0 0 26 0 0 8 0 0 0 26 8 0 0 3 16 2 3 0 0 0 5 0 0 1 0 0 -4.486 30 21 3 5 1 0 0 3 0 5 2 14 816.134 0 0 0 0 8 30 899 0 0 0 0 2 2 1 0 0 1 5 6 1 3 0 0 0 0 0 9 0 0 19 7 4 0 19 4 6 1 0 0 0 0 0 26 0 0 4 0 0 0 26 4 0 0 # 37.74 10.06 10.91 Env_3m2w_6 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.0207 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 3 74 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0.1906 3 3 0 0 0 0 0 0 0 0 0 2 100.53 0 0 0 0 1 2 111 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 3 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 -1.967 4 0 2 2 0 0 0 2 0 2 0 4 51.262 0 0 0 0 -4 0 90 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 5 4 0 3 0 0 0 4 0 0 0 0 0 -0.656 16 9 3 4 0 0 0 3 0 4 0 15 389.977 0 0 0 0 -6 1 671 0 0 0 0 0 0 0 4 0 0 10 2 0 0 0 0 0 0 0 0 0 0 10 2 0 4 10 4 2 0 0 0 0 0 0 16 0 0 0 0 0 0 16 0 0 0 2 11 0 3 0 0 0 1 0 0 0 0 0 -1.5408 17 13 3 1 0 0 0 3 0 1 0 11 489.535 0 0 0 0 2 7 640 3 0 0 0 0 2 0 0 0 0 4 6 0 0 0 0 0 0 0 2 0 0 9 6 2 0 9 2 6 0 0 0 0 0 0 17 0 0 0 0 0 0 17 0 0 0 4 8 0 4 0 0 0 4 0 0 0 0 0 -0.8292 20 12 4 4 0 0 0 4 0 4 0 14 504.644 0 0 0 0 -4 13 932 2 0 0 0 0 3 0 2 0 0 3 5 2 0 0 0 0 0 0 3 0 0 10 5 3 2 10 5 5 0 0 0 0 0 0 20 0 0 0 0 0 0 20 0 0 0 # 35.04 9.71 16