# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3frj # POINT_FILE ./pocket_res_ptf/3frj_A49_B_2.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_3frj_0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0874 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 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 2 2 0 2 0 0 0 1 0 0 0 0 0 -0.2254 7 4 2 1 0 0 0 2 0 1 0 5 173.808 0 0 0 0 -1 3 205 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 5 0 0 6 0 1 0 6 1 0 0 0 0 6 0 0 0 1 0 0 0 0 6 1 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 -0.8534 3 2 0 1 0 0 0 0 0 1 0 2 78.514 0 0 0 0 0 2 87 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 3 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 3 7 0 3 0 0 0 4 0 0 0 0 0 -1.6562 17 10 3 4 0 0 0 3 0 4 0 11 423.487 0 0 0 0 -2 10 1283 3 0 0 0 0 0 0 0 0 3 1 2 2 0 0 3 0 0 0 3 0 0 12 2 3 0 12 3 2 0 0 0 7 0 0 0 6 3 1 0 0 7 9 1 0 0 4 12 0 3 0 0 0 1 0 1 0 0 0 -1.1171 21 16 3 2 0 0 1 3 0 1 0 14 607.222 0 0 0 0 1 16 1645 2 0 0 0 0 0 0 3 0 4 1 2 3 0 0 2 0 0 0 4 0 0 14 2 2 3 14 5 2 0 0 0 7 0 0 0 9 4 1 0 0 7 13 1 0 0 1 10 0 3 0 0 0 3 0 0 2 0 0 -4.0478 19 11 3 3 2 0 0 3 0 3 0 7 498.545 0 0 0 0 6 25 1362 2 0 0 0 0 0 0 1 1 1 5 1 6 0 0 0 2 0 0 0 0 0 14 1 3 1 14 3 2 0 0 0 8 0 0 0 2 0 9 0 0 8 2 9 0 0 # 53.6 26.97 32.6 Env_3frj_1 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0237 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 1 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 -0.1705 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 596 0 0 0 0 0 1 0 0 1 0 0 0 4 0 0 0 0 0 0 0 0 0 4 0 2 0 4 1 1 0 0 0 0 0 0 0 0 0 6 0 0 0 0 6 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.5662 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 2 237 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 2 6 1 1 0 0 1 1 0 0 1 0 0 -0.9567 13 9 2 1 1 0 0 1.5 0.5 1 2 6 354.948 0 0 0 0.5 2 17 1480 0 0 0 0 0 3 0 0 5 0 1 0 2 0 0 0 0 0 0 2 0 0 5 0 8 0 5 3 5 0 0 0 0 0 0 0 0 2 11 0 0 0 2 11 0 0 0 4 2 1 0 0 1 1 0 1 0 0 0 -2.1716 10 6 2 2 0 0 1 1.5 0.5 1 3 3 250.449 0 0 0 0.5 -2 18 910 1 0 0 0 0 2 0 0 3 0 0 0 0 0 0 3 0 0 0 1 0 0 2 0 8 0 2 5 3 0 0 0 0 0 0 0 0 1 9 0 0 0 1 9 0 0 2 10 0 3 0 0 0 2 0 1 0 0 0 -2.7166 18 12 3 3 0 0 1 3 0 2 0 7 482.037 0 0 0 0 2 22 708 2 0 0 0 0 2 0 0 0 0 3 0 0 0 0 4 0 0 0 7 0 0 12 0 6 0 12 6 0 0 0 0 4 0 0 0 0 4 10 0 0 4 4 10 0 0 # 53.43 19.22 30.52 Env_3frj_2 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0874 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 0 0 0 1 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 0.0938 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 122 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 4 0 0 6 0 0 0 6 0 0 0 0 0 1 0 0 0 1 0 4 0 0 1 1 4 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 -1.2063 3 2 0 1 0 0 0 0 0 1 0 1 78.514 0 0 0 0 1 4 73 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 2 0 0 3 0 0 0 3 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 1 2 0 0 2 5 0 3 0 0 0 2 0 2 0 0 0 -2.6654 14 7 3 4 0 0 2 3 0 2 0 9 334.283 0 0 0 0 -4 7 300 4 0 0 0 0 0 0 0 0 0 0 0 3 0 2 2 0 0 3 0 0 0 9 0 5 0 9 5 0 0 0 0 8 0 0 0 5 0 1 0 0 8 5 1 0 0 3 10 2 3 0 0 0 3 1 0 0 0 0 -2.0811 22 15 3 4 0 0 0 3 0 3.5 2 14 573.76 0.333 0.333 0 0.333 -2 17 779 3 0 2 0 0 0 1 0 0 0 2 0 1 0 2 5 0 0 6 0 0 0 8 1 13 0 8 13 0 1 0 0 12 0 0 0 3 0 7 0 0 12 3 7 0 0 7 11 6 5 0 0 1 3 1 1 1 0 0 -2.5292 36 24 6 5 1 0 1 5.5 0.5 3.5 8 16 914.063 0.666 0.666 0 1.166 1 50 1347 4 0 2 0 0 0 3 0 2 0 5 0 1 1 2 5 2 0 9 0 0 0 13 3 20 0 13 18 2 3 0 1 17 0 0 0 3 0 15 0 0 18 3 15 0 0 # 58.81 25.24 43.89 Env_3frj_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 0 0 0 1 0 0 0 0 1 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.3149 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 131 0 0 0 0 0 0 0 1 0 1 4 0 0 0 0 0 0 0 0 0 0 0 5 0 0 1 5 1 0 0 0 0 0 0 1 0 0 0 5 0 0 0 1 5 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 -0.6268 3 2 0 1 0 0 0 0 0 1 0 1 78.514 0 0 0 0 1 5 65 0 0 0 0 0 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 1 7 0 1 0 0 0 1 0 0 0 0 0 -0.8281 10 8 1 1 0 0 0 1 0 1 0 6 293.711 0 0 0 0 2 9 133 1 0 0 0 0 0 0 2 0 6 1 0 0 0 0 0 0 0 0 0 0 0 8 0 0 2 8 2 0 0 0 0 0 0 6 0 0 0 4 0 0 0 6 4 0 0 3 6 0 3 0 0 0 2 1 0 1 0 0 -2.5253 16 9 3 3 1 0 0 3 0 2.5 0 9 407.647 0.333 0.333 0 0.333 0 18 673 6 0 0 2 0 2 0 0 0 1 2 0 3 0 0 0 0 0 0 0 0 0 12 2 2 0 12 2 0 2 0 0 1 0 4 2 0 0 9 0 0 1 6 9 0 0 4 12 0 3 0 0 0 3 1 3 0 0 0 -3.7327 26 16 3 7 0 0 3 3 0 3.5 0 13 665.73 0.666 0.666 0 0.666 -2 28 941 4 0 0 6 0 2 0 0 0 0 4 0 3 0 0 3 1 0 2 1 0 0 12 6 8 0 12 8 0 6 0 2 2 0 2 4 0 2 14 0 0 4 8 14 0 0 # 49.04 20.08 37.06 Env_3frj_4 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 46 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.2199 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 191 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 4 0 0 0 1 0 5 0 1 5 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 -0.9499 4 3 0 1 0 0 0 0 0 1 3 1 85.115 0 0 0 0 2 8 144 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 1 0 3 0 1 3 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 3 6 2 4 0 0 0 2 0 2 0 0 0 -2.8258 19 11 4 4 0 0 2 4 0 2 2 10 478.774 0 0 0 0 -5 19 168 6 0 1 0 0 0 0 0 0 0 0 0 0 0 0 8 0 0 2 2 0 0 8 0 11 0 8 11 0 0 0 0 17 0 0 0 0 0 2 0 0 17 0 2 0 0 4 13 0 2 0 0 1 1 0 2 0 0 0 -1.173 23 17 3 3 0 0 2 2.5 0.5 1 2 10 638.469 0 0 0 0.5 1 27 342 5 0 1 0 0 0 0 0 1 0 0 3 0 0 0 5 3 0 1 4 0 0 9 3 11 0 9 10 4 0 0 0 16 0 0 0 0 0 7 0 0 16 0 7 0 0 2 8 2 4 0 0 0 8 0 1 0 0 0 -7.0864 25 12 4 9 0 0 1 4 0 8 2 14 553.799 0 0 0 0 -8 30 382 5 0 2 0 0 0 0 0 3 1 0 3 2 1 0 4 1 0 1 2 0 0 11 3 11 0 11 8 6 0 0 3 18 0 0 0 1 0 3 0 0 21 1 3 0 0 # 55.66 25.79 48.04 Env_3frj_5 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 66 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 -0.3149 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 435 0 0 1 0 0 0 0 0 0 0 4 0 0 0 0 1 0 0 0 0 0 0 4 0 2 0 4 2 0 0 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 5 231 0 0 0 0 0 0 0 0 0 0 2 0 1 0 0 1 0 0 0 0 0 0 3 0 1 0 3 1 0 0 0 0 0 0 0 0 1 0 3 0 0 0 1 3 0 0 3 6 0 2 0 0 0 2 0 1 0 0 0 -1.6237 14 9 2 3 0 0 1 2 0 2 0 6 367.37 0 0 0 0 -2 16 1111 0 0 7 0 0 0 0 0 0 0 1 0 2 0 0 4 0 0 0 0 0 0 3 0 11 0 3 11 0 0 0 0 0 0 0 0 2 0 12 0 0 0 2 12 0 0 1 5 0 2 0 0 0 1 0 1 1 0 0 -2.3627 11 6 2 2 1 0 1 2 0 1 0 6 284.506 0 0 0 0 0 10 404 1 0 0 0 0 0 0 0 0 0 1 0 3 0 0 0 3 0 0 3 0 0 8 0 3 0 8 3 0 0 0 0 1 0 0 0 3 0 7 0 0 1 3 7 0 0 3 7 0 1 0 0 0 2 0 0 0 0 0 0.4599 13 10 1 2 0 0 0 1 0 2 0 9 372.225 0 0 0 0 0 8 457 3 0 0 0 0 0 0 0 0 0 1 0 2 0 2 0 2 0 0 3 0 0 11 0 2 0 11 2 0 0 0 0 3 0 0 0 4 0 6 0 0 3 4 6 0 0 # 58.28 29.19 39.41