# EXCLUDED_RESIDUES HETATM # PDBID_LIST 1njs # POINT_FILE ./pocket_res_ptf/1njs_KEU_A_510.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_1njs_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 66 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 1 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.0676 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 408 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 4 2 0 0 4 0 0 2 0 0 0 0 0 0 5 1 0 0 0 0 6 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 -1.2203 3 2 0 1 0 0 0 0 0 1 0 1 78.514 0 0 0 0 1 4 256 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 1 0 0 2 0 0 1 0 0 0 0 0 0 2 1 0 0 0 0 3 0 0 0 3 4 0 2 0 0 0 2 0 0 0 0 0 -0.1938 11 7 2 2 0 0 0 2 0 2 0 8 272.901 0.333 0.333 0 0.333 -2 4 756 2 0 0 7 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 9 0 0 2 0 0 9 0 0 0 0 0 0 4 5 2 0 0 0 9 2 0 0 2 6 0 0 0 0 0 1 3 0 0 0 0 -2.1279 12 8 0 4 0 0 0 0 0 2.5 0 4 309.054 1.332 1.332 0 1.332 0 19 793 3 0 0 5 0 0 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 6 6 0 0 6 0 0 6 0 0 0 0 0 0 3 3 6 0 0 0 6 6 0 0 1 11 1 4 0 1 2 1 1 0 0 0 0 -3.9991 22 13 7 2 0 0 0 5 2 1.5 3 9 579.046 1.333 0.333 1 2.333 -1 34 1222 5 0 0 1 0 0 2 3 3 2 0 5 0 0 0 0 0 0 0 1 0 0 8 8 3 3 8 3 8 3 0 0 0 0 0 3 0 6 13 0 0 0 9 13 0 0 # 74.62 28.71 28.71 Env_1njs_1 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0249 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 106 0 0 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 1 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 1 0 0 0 -0.6476 7 3 2 2 0 0 1 2 0 1 0 5 157.455 0 0 0 0 -4 3 622 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 6 1 0 7 0 0 0 0 0 0 0 0 6 1 0 0 0 0 7 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 24 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 1 0 0 0 0 1 0 0 0 1 3 0 2 0 0 0 1 0 0 0 0 0 -1.0421 7 4 2 1 0 0 0 2 0 1 0 5 173.808 0 0 0 0 -2 4 321 1 0 4 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 4 2 1 6 0 0 0 0 1 0 0 0 4 2 0 0 0 1 6 0 0 0 2 3 1 1 0 0 1 2 1 0 1 0 0 -2.308 12 6 2 3 1 0 0 1.5 0.5 2.5 2 4 283.352 0.333 0.333 0 0.833 -2 24 613 2 0 2 1 0 1 0 0 2 0 0 2 2 0 0 0 0 0 0 0 0 0 4 3 5 0 4 3 4 1 0 0 3 0 0 2 3 0 4 0 0 3 5 4 0 0 3 4 1 2 0 0 1 1 1 0 0 0 0 -0.9052 13 8 3 2 0 0 0 2.5 0.5 1.5 2 4 314.063 0.666 0.666 0 1.166 -3 22 457 1 0 1 2 0 1 0 0 3 0 0 1 1 1 2 0 0 0 0 0 0 0 5 3 5 0 5 2 4 2 0 0 3 0 0 2 3 3 2 0 0 3 8 2 0 0 # 68.77 22.02 33.27 Env_1njs_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 84 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 0 0 1 0 0 0 0 1 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 0.0624 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 421 0 1 0 0 0 0 0 0 0 4 1 0 0 0 0 0 0 0 0 0 0 0 5 1 0 0 5 0 1 0 0 0 0 0 0 0 0 0 6 0 0 0 0 6 0 0 0 3 0 0 0 0 0 1 0 0 0 0 0 -1.0185 4 3 0 1 0 0 0 0 0 1 0 1 112.024 0 0 0 0 2 7 323 0 1 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 3 1 0 0 3 0 1 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 1 5 0 1 1 0 0 1 0 0 0 0 0 -1.2544 9 6 2 1 0 0 0 1.5 0.5 1 0 5 251.12 0.333 0 0.333 0.333 0 10 396 0 4 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 5 4 0 0 5 0 4 0 0 0 1 0 0 0 0 0 8 0 0 1 0 8 0 0 1 5 2 1 3 0 0 1 0 0 0 0 0 -2.7263 13 8 4 1 0 0 0 1.5 2.5 1 1 3 339.378 0.666 0 0.666 0.666 0 36 944 0 6 0 0 0 0 0 0 0 0 2 0 2 1 0 1 0 0 0 1 0 0 6 6 1 0 6 1 6 0 0 0 4 0 0 0 1 0 8 0 0 4 1 8 0 0 2 10 5 1 2 0 0 2 2 0 0 0 0 -3.8814 24 17 3 4 0 0 0 2 1 3 4 7 624.167 1.998 0.999 0.999 1.998 3 53 1167 0 6 0 3 0 0 1 0 0 0 1 0 2 6 0 1 0 0 0 4 0 0 13 10 1 0 13 1 6 4 0 0 7 0 0 1 3 1 12 0 0 7 5 12 0 0 # 79.08 23.59 31.54 Env_1njs_3 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 20 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 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 -0.4104 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 188 1 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 2 4 0 0 2 0 0 4 0 0 0 0 0 0 5 0 1 0 0 0 5 1 0 0 1 0 0 0 0 0 0 1 2 0 0 0 0 -1.3714 4 1 0 3 0 0 0 0 0 2 0 1 60.347 0.999 0.999 0 0.999 -3 8 126 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 3 0 0 1 0 0 3 0 0 0 0 0 0 4 0 0 0 0 0 4 0 0 0 1 8 2 2 0 0 2 1 0 0 0 0 0 -2.7581 16 11 4 1 0 0 0 3 1 1 4 6 429.116 0 0 0 1 1 26 633 3 0 0 1 0 0 0 1 4 0 2 1 0 0 0 0 0 0 0 4 0 0 9 2 4 1 9 1 5 1 0 0 0 0 0 4 6 2 4 0 0 0 12 4 0 0 1 8 4 2 0 1 1 1 0 0 0 0 0 -2.288 18 13 4 1 0 0 0 2.5 1.5 1 5 5 493.497 1 0 1 1.5 1 35 747 1 0 1 1 0 0 0 2 6 0 1 5 0 0 0 0 0 0 0 1 0 0 3 6 7 2 3 3 11 1 0 0 0 0 0 7 2 3 6 0 0 0 12 6 0 0 4 10 0 3 0 0 1 3 0 0 0 0 0 -1.3405 21 14 4 3 0 0 0 3.5 0.5 3 1 14 553.681 0 0 0 0.5 -2 11 811 4 0 2 3 0 0 0 3 3 0 2 2 0 1 0 0 0 0 0 1 0 0 8 5 5 3 8 5 5 3 0 0 0 0 0 6 2 6 7 0 0 0 14 7 0 0 # 71.61 27.79 26.48 Env_1njs_4 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0024 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 14 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 0 0 0 1 0 0 0 0 1 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.2389 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 202 0 0 0 0 0 0 0 1 0 0 0 0 1 4 0 0 0 0 0 0 0 0 5 0 0 1 5 1 0 0 0 0 0 0 0 0 0 1 5 0 0 0 1 5 0 0 0 0 3 0 0 0 0 1 0 1 0 0 0 -1.4617 5 3 0 2 0 0 1 0 0 1 3 1 102.272 0 0 0 0 1 10 82 0 0 0 0 0 0 0 1 0 0 0 0 0 3 0 1 0 0 0 0 0 0 3 0 1 1 3 2 0 0 0 0 0 0 0 0 0 2 3 0 0 0 2 3 0 0 4 8 2 5 0 0 0 3 0 0 0 0 0 -1.6052 22 14 5 3 0 0 0 5 0 3 2 16 560.329 0 0 0 0 -3 16 763 3 1 0 0 0 0 0 2 0 4 2 0 5 2 0 3 0 0 0 0 0 0 16 1 3 2 16 5 1 0 0 0 0 0 0 6 0 8 8 0 0 0 14 8 0 0 2 10 1 0 0 0 0 5 0 0 1 0 0 -2.9922 19 13 0 5 1 0 0 0 0 5 1 9 512.632 0 0 0 0 3 25 499 1 2 2 0 0 0 0 0 0 1 9 0 2 1 0 1 0 0 0 0 0 0 14 2 3 0 14 3 2 0 0 0 0 0 0 11 0 3 5 0 0 0 14 5 0 0 4 8 0 5 0 0 0 3 0 0 0 0 0 -2.2984 20 12 5 3 0 0 0 5 0 3 0 9 491.717 0 0 0 0 0 21 294 1 3 5 0 2 0 0 1 0 3 4 0 0 0 0 1 0 0 0 0 0 0 8 3 8 1 8 9 3 0 0 0 0 0 0 10 0 7 3 0 0 0 17 3 0 0 # 75.59 16.32 28.78 Env_1njs_5 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 0 113 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 -0.1028 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 537 0 1 0 0 0 0 0 0 0 0 0 0 4 1 0 0 0 0 0 0 0 0 5 1 0 0 5 0 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 1 0 0 -0.8398 3 1 0 1 1 0 0 0 0 1 0 1 71.525 0 0 0 0 1 5 240 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 2 7 2 1 0 0 0 2 0 1 0 0 0 -1.1136 15 11 1 3 0 0 1 1 0 2 2 7 402.972 0 0 0 0 2 16 618 0 5 0 0 0 0 0 2 0 0 0 0 1 5 0 2 0 0 0 0 0 0 6 5 2 2 6 4 5 0 0 0 0 0 0 0 0 4 11 0 0 0 4 11 0 0 1 3 4 3 0 0 0 1 0 0 0 0 0 -2.2052 12 8 3 1 0 0 0 3 0 1 4 4 291.39 0 0 0 0 0 27 267 0 1 3 0 0 0 0 1 0 1 0 0 0 4 0 2 0 0 0 0 0 0 5 1 5 1 5 6 1 0 0 0 0 0 0 0 0 6 6 0 0 0 6 6 0 0 2 7 1 1 2 0 0 2 0 0 0 0 0 -1.0318 15 10 3 2 0 0 0 1.5 1.5 2 0 7 404.302 0.666 0 0.666 0.666 -1 23 705 0 3 1 0 0 0 0 1 0 7 0 0 0 0 0 3 0 0 0 0 0 0 7 3 4 1 7 5 3 0 0 0 0 0 0 3 1 4 7 0 0 0 8 7 0 0 # 75.4 18.12 32.16 Env_1njs_6 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.2637 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 71 0 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 0 1 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 -0.0222 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 481 0 4 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 2 4 0 0 2 0 4 0 0 0 0 0 0 0 0 0 6 0 0 0 0 6 0 0 0 2 0 0 1 0 0 1 0 0 0 0 0 -1.0099 4 2 1 1 0 0 0 0 1 1 0 1 99.093 0 0 0 0 -1 9 326 0 3 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 3 0 0 1 0 3 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 2 4 4 1 1 0 0 1 0 0 0 0 0 -0.1659 13 10 2 1 0 0 0 1.5 0.5 1 3 6 351.262 0.666 0 0.666 0.666 2 25 915 0 2 0 0 0 0 0 0 0 4 0 0 3 4 0 0 0 0 0 0 0 0 11 2 0 0 11 0 2 0 0 0 1 0 0 0 0 0 12 0 0 1 0 12 0 0 1 8 6 2 2 0 0 2 0 1 0 0 0 -4.1708 22 15 4 3 0 0 1 3 1 2 5 4 563.47 0.999 0 0.999 0.999 4 58 706 0 3 3 0 0 0 0 0 0 2 4 0 1 8 0 1 0 0 0 0 0 0 15 3 4 0 15 4 3 0 0 0 3 0 0 0 0 4 15 0 0 3 4 15 0 0 1 8 5 1 2 0 2 0 1 0 1 0 0 -4.0291 21 14 5 1 1 0 0 2.5 2.5 0.5 7 2 562.772 0.666 0.333 0.333 1.666 3 53 942 0 4 1 1 0 0 0 0 6 1 3 0 1 3 0 1 0 0 0 0 0 0 8 5 8 0 8 2 10 1 0 6 7 0 0 0 0 2 6 0 0 13 2 6 0 0 # 78.73 19.93 32.47