# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3krj # POINT_FILE ./pocket_res_ptf/3krj_KRJ_A_923.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_3krj_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 32 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 0 0 0 1 0 0 0 0 1 0 0 2 0 0 2 0 0 0 1 0 0 0 0 0 -0.3054 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 221 0 0 0 1 0 0 0 3 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 3 0 4 0 1 0 0 0 0 1 0 1 0 3 0 0 0 2 3 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 0 112 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 0 1 0 0 0 0 0 1 0 0 0 2 4 0 2 0 0 0 4 0 0 0 0 0 -1.9918 12 6 2 4 0 0 0 2 0 4 0 10 275.31 0 0 0 0 -4 2 489 0 0 0 4 3 0 0 0 0 0 2 0 0 0 0 0 0 0 3 0 0 0 2 4 6 0 2 6 0 4 0 0 0 0 4 2 5 0 1 0 0 0 11 1 0 0 4 10 1 2 0 0 0 0 1 0 0 0 0 0.0818 18 15 2 1 0 0 0 2 0 0.5 1 9 519.199 0.666 0.666 0 0.666 3 18 425 0 0 0 2 5 0 0 0 0 0 10 0 0 0 0 0 0 0 1 0 0 0 10 2 6 0 10 6 0 2 0 0 1 0 2 9 3 0 3 0 0 1 14 3 0 0 3 8 5 5 0 0 0 2 1 1 0 1 0 -4.9974 26 16 5 4 1 0 1.5 5 0 2.5 6 10 631.191 0.333 0.333 0 0.333 -1 44 1030 0 0 3 1 3 0 0 0 0 0 5 0 0 5 0 0 2 0 5 2 0 0 12 1 13 0 12 13 0 1 0 0 9 0 1 8 3 0 5 0 0 9 12 5 0 0 # 9.32 34.23 10.24 Env_3krj_1 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 80 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 1 413 0 0 0 0 0 0 0 1 0 0 4 0 0 0 0 0 1 0 0 0 0 0 4 0 1 1 4 2 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 5 256 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 1 0 0 1 0 0 3 0 1 0 3 1 0 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 3 6 0 1 0 0 0 2 0 0 0 0 0 -0.318 12 9 1 2 0 0 0 1 0 2 0 8 338.715 0 0 0 0 0 8 817 0 0 0 0 0 0 0 3 0 0 1 2 0 0 0 0 4 0 0 2 0 0 3 2 4 3 3 7 2 0 0 0 0 0 0 12 0 0 0 0 0 0 12 0 0 0 1 8 0 4 0 0 0 0 0 1 0 0 0 -2.4132 14 9 4 1 0 0 1 4 0 0 0 8 375.295 0 0 0 0 0 8 631 2 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 1 0 0 7 0 0 9 4 1 0 9 1 2 2 0 1 0 0 0 13 0 0 0 0 0 1 13 0 0 0 2 9 0 1 0 0 0 2 1 0 0 0 0 -1.1811 15 11 1 3 0 0 0 1 0 2.5 0 8 419.872 0.333 0.333 0 0.333 2 14 713 4 0 0 0 0 0 3 0 0 0 0 4 0 0 0 0 0 0 0 4 0 0 8 7 0 0 8 0 4 3 0 3 0 0 0 12 0 0 0 0 0 3 12 0 0 0 # 1.58 28.71 8.7 Env_3krj_2 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0013 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 73 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 0 0 0 1 0 0 0 0 1 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.2806 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 345 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 1 5 0 0 5 0 1 0 0 0 0 0 1 0 0 5 0 0 0 1 5 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 -0.9639 4 3 0 1 0 0 0 0 0 1 3 1 85.115 0 0 0 0 2 8 263 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 1 3 0 0 3 0 1 0 0 0 0 0 1 0 0 3 0 0 0 1 3 0 0 3 6 2 2 0 0 0 2 0 0 0 1 0 -1.2165 16 11 2 2 1 0 0.5 2 0 2 2 10 432.415 0 0 0 0 -1 13 513 2 0 0 0 4 0 3 0 0 0 0 2 0 0 0 0 1 0 2 2 0 0 4 5 7 0 4 7 2 3 0 0 0 0 0 10 0 0 6 0 0 0 10 6 0 0 2 6 0 2 0 0 0 2 0 1 0 0 0 -1.6055 13 8 2 3 0 0 1 2 0 2 1 8 323.568 0 0 0 0 -2 11 426 1 0 0 0 3 0 1 0 0 0 0 2 0 0 0 0 2 0 1 3 0 0 4 3 6 0 4 6 2 1 0 0 0 0 0 9 2 0 2 0 0 0 11 2 0 0 4 16 0 2 0 0 0 2 2 2 0 0 0 -3.1571 28 20 2 6 0 0 2 2 0 3 0 8 758.188 1.332 1.332 0 1.332 3 50 954 3 0 0 0 2 0 7 0 0 0 4 3 0 0 0 0 5 0 1 3 0 0 10 10 8 0 10 8 3 7 0 0 0 0 0 24 2 0 2 0 0 0 26 2 0 0 # 10.45 26.06 13.25 Env_3krj_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 28 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 1 112 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 1 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 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 88 0 0 0 0 0 0 0 1 0 0 2 0 0 0 0 0 0 0 0 1 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 10 1 4 0 0 0 2 0 0 0 0 0 -1.0022 21 15 4 2 0 0 0 4 0 2 1 13 575.197 0 0 0 0 1 15 198 0 0 0 4 1 0 0 1 0 0 7 3 0 1 0 0 0 0 0 4 0 0 12 7 1 1 12 2 3 4 0 0 1 0 4 13 0 0 3 0 0 1 17 3 0 0 2 10 2 3 0 0 0 4 0 0 0 1 0 -4.7475 22 14 3 4 1 0 0.5 3 0 4 2 13 570.07 0 0 0 0 0 22 257 2 0 2 1 2 0 0 2 0 1 4 2 0 2 0 0 1 0 0 3 0 0 12 3 5 2 12 7 2 1 0 2 2 0 1 10 0 0 7 0 0 4 11 7 0 0 8 15 3 6 0 0 0 5 2 0 0 0 0 -2.4669 39 26 6 7 0 0 0 6 0 6 3 23 1001.99 0.999 0.999 0 0.999 -1 36 901 5 2 2 3 3 0 0 1 0 3 5 2 0 3 0 0 3 0 5 2 0 0 18 7 13 1 18 14 4 3 0 6 5 0 3 12 5 0 8 0 0 11 20 8 0 0 # 13.76 32.36 7.59 Env_3krj_4 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0212 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 9 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 -0.3277 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -3 1 155 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 6 0 0 6 0 0 0 0 0 0 0 0 1 0 5 0 0 0 1 5 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 -0.8797 2 0 0 1 1 0 0.5 0 0 1 0 1 38.015 0 0 0 0 -2 2 82 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 2 6 2 3 0 0 0 2 0 1 0 0 0 -1.8616 16 10 3 3 0 0 1 3 0 2 2 10 397.736 0 0 0 0 -3 10 727 0 0 0 0 3 0 1 0 0 0 2 0 0 0 0 0 4 0 6 0 0 0 2 1 13 0 2 13 0 1 0 0 0 0 0 7 4 0 5 0 0 0 11 5 0 0 5 9 3 3 0 0 0 2 0 0 0 1 0 -1.1851 23 17 3 2 1 0 0.5 3 0 2 4 12 627.692 0 0 0 0 3 30 1069 0 0 1 0 2 0 2 3 0 0 6 1 0 0 0 0 2 0 6 0 0 0 6 3 11 3 6 14 1 2 0 1 0 0 0 11 4 0 7 0 0 1 15 7 0 0 2 12 2 2 0 0 0 5 1 1 0 0 0 -5.723 25 16 2 7 0 0 1 2 0 5.5 2 9 630.639 0.333 0.333 0 0.333 0 41 1400 0 0 4 0 0 0 4 1 0 0 4 3 0 0 0 0 1 0 5 3 0 0 7 7 10 1 7 11 3 4 0 4 0 0 0 13 4 0 4 0 0 4 17 4 0 0 # 11.98 29.53 12.89 Env_3krj_5 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0381 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 13 0 0 0 1 0 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 0 0 1 0 0 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.4104 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 84 0 0 0 4 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 4 0 1 1 1 0 4 0 0 1 0 4 0 0 0 1 0 0 1 4 1 0 0 1 0 0 0 0 0 0 2 2 0 0 0 0 -1.9393 5 1 0 4 0 0 0 0 0 3 0 2 71.841 0.999 0.999 0 0.999 -4 8 71 0 0 0 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 3 0 1 1 1 0 3 0 0 0 0 3 1 0 0 1 0 0 0 4 1 0 0 3 7 0 4 0 0 0 0 0 0 0 0 0 -0.2789 14 10 4 0 0 0 0 4 0 0 0 10 391.648 0 0 0 0 0 7 252 0 0 0 0 0 0 0 2 0 0 11 0 0 0 0 0 0 0 0 1 0 0 12 0 0 2 12 2 0 0 0 0 4 0 0 8 0 0 2 0 0 4 8 2 0 0 4 13 1 4 1 0 0 5 0 0 0 0 0 -3.7247 28 18 5 5 0 0 0 4.5 0.5 5 1 16 731.999 0.333 0 0.333 0.333 -1 27 970 1 4 5 0 0 0 0 0 0 0 10 0 0 3 0 0 0 0 2 3 0 0 17 4 7 0 17 7 4 0 0 4 12 0 0 8 2 1 1 0 0 16 11 1 0 0 4 12 4 3 2 0 0 4 0 0 0 0 0 -3.9542 29 20 5 4 0 0 0 3.5 1.5 4 3 14 763.755 0.666 0 0.666 0.666 1 45 911 2 5 5 0 2 0 0 0 0 0 7 0 0 4 0 0 0 0 3 1 0 0 14 5 10 0 14 10 5 0 0 7 7 0 0 5 3 3 4 0 0 14 11 4 0 0 # 10.65 34.95 6.76