# EXCLUDED_RESIDUES HETATM # PDBID_LIST 1xl2 # POINT_FILE ./pocket_res_ptf/1xl2_189_A_1001.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_1xl2_0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0252 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 43 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 2 0 0 2 0 0 0 1 0 0 0 0 0 -0.2047 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 179 0 0 0 0 0 0 0 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 4 1 4 0 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 0 1 3 0 0 0 0 2 0 0 0 0 0 -1.4795 6 4 0 2 0 0 0 0 0 2 3 3 130.119 0 0 0 0 1 9 476 0 0 0 0 0 0 0 1 0 2 0 0 0 3 0 0 0 0 0 0 0 0 5 0 0 1 5 1 0 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 2 5 3 3 0 0 0 1 0 0 0 0 0 -1.0206 14 10 3 1 0 0 0 3 0 1 3 8 368.038 0 0 0 0 2 17 1012 0 0 0 0 0 0 0 4 0 4 0 0 0 6 0 0 0 0 0 0 0 0 10 0 0 4 10 4 0 0 0 0 0 0 0 13 1 0 0 0 0 0 14 0 0 0 2 7 0 2 0 0 0 3 0 0 0 0 0 -2.0279 14 9 2 3 0 0 0 2 0 3 0 8 364.346 0 0 0 0 1 12 838 0 0 0 0 0 0 0 2 0 8 0 0 2 2 0 0 0 0 0 0 0 0 12 0 0 2 12 2 0 0 0 0 0 0 0 10 4 0 0 0 0 0 14 0 0 0 3 11 0 1 0 0 0 1 0 0 0 0 0 0.3648 16 14 1 1 0 0 0 1 0 1 0 9 494.771 0 0 0 0 5 13 927 0 0 0 0 0 0 0 2 0 9 0 0 3 0 2 0 0 0 0 0 0 0 14 0 0 2 14 2 0 0 0 0 0 0 0 8 6 2 0 0 0 0 16 0 0 0 # 18.43 -9.66 18.66 Env_1xl2_1 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0252 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 19 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 2 0 0 2 0 0 0 1 0 0 0 0 0 -0.2047 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 130 0 0 0 0 0 0 0 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 4 1 4 0 0 0 0 0 0 0 4 1 0 0 0 0 0 5 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.6338 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 3 94 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 2 0 0 0 2 6 0 2 0 0 0 2 0 0 0 0 0 -0.7322 12 8 2 2 0 0 0 2 0 2 0 8 319.342 0 0 0 0 -1 6 517 0 0 0 0 0 0 0 5 0 5 0 0 0 0 2 0 0 0 0 0 0 0 7 0 0 5 7 5 0 0 0 0 0 0 0 5 5 2 0 0 0 0 12 0 0 0 2 8 2 4 0 0 0 1 0 0 0 0 0 -1.808 17 12 4 1 0 0 0 4 0 1 2 10 456.184 0 0 0 0 2 15 1097 0 0 0 0 0 0 0 4 0 7 0 0 0 3 3 0 0 0 0 0 0 0 13 0 0 4 13 4 0 0 0 0 0 0 0 6 8 3 0 0 0 0 17 0 0 0 5 7 4 0 0 0 0 3 0 1 0 0 0 -0.0853 20 16 0 4 0 0 1 0 0 3 4 13 553.901 0 0 0 0 2 20 1448 0 0 0 0 0 0 0 3 0 5 0 0 0 7 2 0 3 0 0 0 0 0 14 0 3 3 14 6 0 0 0 0 0 0 0 10 5 1 4 0 0 0 16 4 0 0 # 21.4 -7.37 18.93 Env_1xl2_2 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0597 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 30 0 0 0 0 0 0 0 0 0 1 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 0 1 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.0744 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 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 2 4 2 0 0 0 0 0 0 0 1 5 0 0 0 0 0 6 0 0 0 0 3 0 0 0 0 0 1 0 0 0 0 0 -0.9564 4 3 0 1 0 0 0 0 0 1 0 2 112.024 0 0 0 0 1 4 121 0 0 0 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 2 2 0 0 0 0 0 0 0 1 3 0 0 0 0 0 4 0 0 0 1 5 0 2 0 0 0 1 0 0 0 0 0 -0.9278 9 6 2 1 0 0 0 2 0 1 0 5 240.828 0 0 0 0 0 9 457 0 0 0 0 0 0 0 4 0 2 0 0 0 0 3 0 0 0 0 0 0 0 5 0 0 4 5 4 0 0 0 0 0 0 0 3 3 2 1 0 0 0 8 1 0 0 5 12 0 3 0 0 0 2 0 1 0 0 0 0.0784 23 17 3 3 0 0 1 3 0 2 0 14 652.226 0 0 0 0 1 15 933 0 0 0 0 0 0 0 7 0 8 0 0 0 0 3 0 5 0 0 0 0 0 11 0 5 7 11 12 0 0 0 0 0 0 0 10 5 2 6 0 0 0 17 6 0 0 2 9 0 3 0 0 0 6 0 0 0 0 0 -3.792 20 11 3 6 0 0 0 3 0 6 0 15 479.985 0 0 0 0 -5 9 1145 0 0 0 0 0 0 0 7 0 5 0 0 0 1 6 0 1 0 0 0 0 0 12 0 1 7 12 8 0 0 0 0 0 0 0 10 3 1 6 0 0 0 14 6 0 0 # 24.19 -6.45 21.28 Env_1xl2_3 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0597 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 35 0 0 0 0 0 0 0 0 0 1 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 2 0 2 0 0 0 1 0 0 0 0 0 -0.3947 7 4 2 1 0 0 0 2 0 1 0 5 173.808 0 0 0 0 -1 3 183 0 0 1 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 6 0 1 0 6 1 0 0 0 0 0 0 0 6 0 0 1 0 0 0 6 1 0 0 0 1 0 0 0 0 0 3 0 0 0 0 0 -1.7467 4 1 0 3 0 0 0 0 0 3 0 3 67.992 0 0 0 0 -2 2 63 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 3 0 1 0 3 1 0 0 0 0 0 0 0 3 0 0 1 0 0 0 3 1 0 0 4 8 0 3 0 0 0 2 0 0 0 0 0 -0.3839 17 12 3 2 0 0 0 3 0 2 0 12 467.519 0 0 0 0 0 8 215 0 0 3 0 0 0 0 0 0 6 4 0 0 0 0 0 0 0 0 4 0 0 14 0 3 0 14 3 0 0 0 0 0 0 0 12 0 2 3 0 0 0 14 3 0 0 4 20 0 4 0 0 0 1 1 1 0 0 0 -2.545 31 24 4 3 0 0 1 4 0 1.5 0 13 877.714 0.666 0.666 0 0.666 6 34 355 4 0 1 5 0 0 0 2 0 2 6 0 0 0 0 0 5 0 0 6 0 0 18 5 6 2 18 8 0 5 0 0 0 0 0 19 0 4 8 0 0 0 23 8 0 0 5 9 0 5 0 0 0 6 1 1 0 0 0 -5.4552 27 14 5 8 0 0 1 5 0 6.5 0 16 650.375 0.333 0.333 0 0.333 -7 24 534 2 0 2 5 0 0 2 1 0 0 7 0 0 0 0 0 5 0 0 3 0 0 12 7 7 1 12 8 0 7 0 0 0 0 0 14 0 3 10 0 0 0 17 10 0 0 # 12.56 1.52 14.33 Env_1xl2_4 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0597 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 51 0 0 0 0 0 0 0 0 0 1 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 0 1 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.0744 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 318 0 0 0 0 0 0 0 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 2 4 2 0 0 0 0 0 0 0 1 5 0 0 0 0 0 6 0 0 0 0 3 0 0 0 0 0 1 0 0 0 0 0 -0.9971 4 3 0 1 0 0 0 0 0 1 0 1 112.024 0 0 0 0 2 7 181 0 0 0 0 0 0 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 1 3 1 0 0 0 0 0 0 0 1 3 0 0 0 0 0 4 0 0 0 3 3 0 3 0 0 0 3 0 0 0 0 0 -1.2345 12 6 3 3 0 0 0 3 0 3 0 12 277.953 0 0 0 0 -6 0 486 0 0 0 0 0 0 0 10 0 2 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 10 2 10 0 0 0 0 0 0 0 6 6 0 0 0 0 0 12 0 0 0 5 6 0 4 0 0 0 4 0 0 0 0 0 -1.7011 19 11 4 4 0 0 0 4 0 4 0 17 471.134 0 0 0 0 -6 4 1039 0 0 0 0 0 0 0 11 0 4 0 0 0 4 0 0 0 0 0 0 0 0 8 0 0 11 8 11 0 0 0 0 0 0 0 13 6 0 0 0 0 0 19 0 0 0 1 10 0 2 0 0 0 2 0 0 0 0 0 -1.4623 15 11 2 2 0 0 0 2 0 2 0 9 419.872 0 0 0 0 2 12 679 0 0 0 0 0 0 0 5 0 9 0 0 0 1 0 0 0 0 0 0 0 0 10 0 0 5 10 5 0 0 0 0 0 0 0 14 1 0 0 0 0 0 15 0 0 0 # 19.02 -5.39 24.47