# EXCLUDED_RESIDUES HETATM # PDBID_LIST 2i78 # POINT_FILE ./pocket_res_ptf/2i78_KIQ_B_901.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_2i78_0 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 82 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 -0.2199 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 342 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 1 0 0 2 0 4 0 2 4 0 0 0 0 0 0 0 1 0 0 5 0 0 0 1 5 0 0 0 2 2 0 0 0 0 1 0 0 0 0 0 -1.1038 5 4 0 1 0 0 0 0 0 1 2 2 125.614 0 0 0 0 2 7 174 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 2 2 0 0 2 0 2 1 2 3 0 0 0 0 1 0 0 2 0 0 2 0 0 1 2 2 0 0 2 6 2 3 0 0 0 0 0 0 0 0 0 -0.4438 13 10 3 0 0 0 0 3 0 0 2 7 363.533 0 0 0 0 3 14 327 3 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 3 3 0 0 6 2 3 2 6 5 2 0 0 0 2 0 0 3 0 0 8 0 0 2 3 8 0 0 3 10 3 2 0 1 0 5 1 1 0 0 0 -4.7138 26 16 3 7 0 0 1 2 1 5.5 4 12 646.868 1.333 0.333 1 1.333 -1 36 525 1 0 0 3 0 0 0 5 0 0 0 3 0 0 0 2 0 1 8 3 0 0 4 6 11 5 5 15 3 3 0 0 11 0 0 6 0 0 9 0 0 11 6 9 0 0 7 9 2 7 0 0 0 5 0 2 0 0 0 -3.9239 32 18 7 7 0 0 2 7 0 5 2 22 764.375 0.333 0.333 0 0.333 -11 31 659 0 0 0 2 0 4 0 5 0 0 0 2 0 1 0 6 1 5 3 3 0 0 4 4 19 5 9 19 2 2 0 0 10 0 0 10 5 0 7 0 0 10 15 7 0 0 # -16.65 -1.6 50.32 Env_2i78_1 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 74 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 1 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.0344 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 409 0 2 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 2 0 0 4 0 2 0 0 0 0 0 0 0 0 6 0 0 0 0 6 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 -0.8285 4 3 0 1 0 0 0 0 0 1 3 1 85.115 0 0 0 0 2 8 254 0 1 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 1 0 0 3 0 1 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 0 2 5 3 1 3 0 1 2 0 1 0 0 0 -3.3509 18 10 5 3 0 0 1 2 3 2 3 7 452.489 0.999 0 0.999 0.999 -3 43 711 0 12 0 0 0 0 0 2 0 0 0 0 0 2 0 0 0 1 1 0 0 0 2 12 2 2 3 3 12 0 0 0 5 0 0 0 0 12 1 0 0 5 12 1 0 0 1 6 4 1 0 0 0 1 0 0 0 0 0 -0.8402 13 11 1 1 0 0 0 1 0 1 5 3 347.412 0 0 0 0 2 32 231 0 4 0 0 1 0 0 1 0 0 0 0 0 1 1 0 0 2 2 1 0 0 3 4 5 1 5 4 4 0 0 0 4 0 0 0 1 5 3 0 0 4 6 3 0 0 2 6 4 1 1 0 0 3 0 0 1 1 0 -2.638 19 12 2 3 2 0 0.5 1 1 3 4 6 484.52 0 0 0 0 2 37 185 0 3 0 0 1 1 1 1 0 0 0 0 2 0 4 0 0 4 1 1 0 0 7 4 7 1 11 4 3 1 0 0 5 0 0 0 3 4 7 0 0 5 7 7 0 0 # -23.25 -11.45 60.32 Env_2i78_2 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 0 147 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 1 0 0 0 0 1 0 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 1 702 0 4 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 4 2 0 1 0 5 0 0 0 0 0 0 0 0 6 0 0 0 0 6 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.5289 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 2 194 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 1 6 2 2 1 0 0 0 1 0 0 0 0 -1.6795 13 9 3 1 0 0 0 2 1 0.5 2 5 344.66 0.333 0.333 0 0.333 -3 22 869 0 2 0 0 0 0 1 0 5 0 0 1 0 0 0 1 0 3 0 0 0 0 0 4 9 0 3 1 8 1 0 0 1 0 0 1 0 10 1 0 0 1 11 1 0 0 2 4 3 0 1 1 2 3 2 1 0 0 0 -3.8746 19 9 4 6 0 0 1 1.5 2.5 4 4 5 428.376 2.665 0.999 1.666 3.665 -4 49 1068 0 2 0 0 0 2 4 0 4 0 0 3 0 0 0 3 0 1 0 0 0 0 0 9 10 0 1 5 9 4 0 0 4 0 0 3 0 7 5 0 0 4 10 5 0 0 5 7 3 3 1 0 1 1 4 0 0 0 0 -3.2302 25 15 5 5 0 0 0 3.5 1.5 3 4 7 602.701 2.664 2.331 0.333 2.664 -4 49 740 0 1 1 5 0 3 9 0 0 0 0 0 0 0 0 2 0 4 0 0 0 0 0 15 10 0 4 6 1 14 0 0 10 0 0 0 0 8 7 0 0 10 8 7 0 0 # -13.78 -0.31 68.47 Env_2i78_3 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0397 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 18 0 0 0 0 0 0 1 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 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.3848 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 101 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 5 0 0 1 0 0 5 0 0 5 0 0 0 1 0 0 0 0 5 1 0 0 0 1 1 0 0 0 0 0 2 1 0 0 0 0 -1.1495 5 2 0 3 0 0 0 0 0 2.5 0 2 91.214 0.666 0.666 0 0.666 -2 9 76 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 4 0 0 1 0 0 4 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 4 7 0 1 0 0 0 2 1 0 0 0 0 -0.4747 15 11 1 3 0 0 0 1 0 2.5 0 9 419.872 0.333 0.333 0 0.333 1 12 139 0 0 0 0 0 0 7 0 0 0 0 0 0 0 0 0 0 0 2 6 0 0 6 7 2 0 6 2 0 7 0 0 11 0 0 0 4 0 0 0 0 11 4 0 0 0 2 11 1 5 2 0 0 2 4 1 0 0 0 -7.5612 28 14 7 7 0 0 1 6 1 4 0 14 659.514 2.664 1.665 0.999 2.664 -9 44 428 0 3 0 2 0 0 5 0 0 0 0 0 0 1 0 3 0 1 5 8 0 0 9 10 9 0 10 8 3 7 0 0 20 0 2 0 3 3 0 0 0 20 8 0 0 0 4 7 7 2 1 0 0 2 0 0 0 0 0 -0.6426 23 18 3 2 0 0 0 2 1 2 7 8 601.283 0.333 0.333 0 0.333 7 38 354 0 1 0 1 0 0 1 0 0 0 0 0 0 4 0 2 0 4 5 5 0 0 9 3 11 0 13 7 1 2 0 0 16 0 1 0 3 3 0 0 0 16 7 0 0 0 # -16.74 -10.17 65.46 Env_2i78_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 23 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 95 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 4 1 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 72 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 1 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 4 7 5 3 3 0 0 2 3 1 0 0 0 -4.8536 28 16 6 6 0 0 1 4 2 3.5 4 9 663.815 2.664 1.665 0.999 2.664 -4 61 213 0 6 0 3 0 0 5 0 0 0 0 0 0 0 0 2 4 0 4 4 0 0 4 14 10 0 4 10 6 8 0 0 25 0 3 0 0 0 0 0 0 25 3 0 0 0 4 10 3 4 0 0 0 2 1 1 0 0 0 -4.1917 25 17 4 4 0 0 1 4 0 2.5 5 10 638.021 0.333 0.333 0 0.333 0 47 155 0 3 0 5 0 2 3 0 0 0 0 0 0 0 0 2 2 0 7 1 0 0 1 11 13 0 1 13 3 8 0 0 16 0 5 0 2 2 0 0 0 16 9 0 0 0 5 8 7 1 0 0 0 5 0 4 0 0 0 -4.1639 30 20 1 9 0 0 4 1 0 5 8 11 729.708 0 0 0 0 2 61 385 0 2 0 0 0 1 7 0 0 0 0 0 0 1 0 2 0 2 14 1 0 0 2 9 19 0 4 17 2 7 0 2 17 0 0 1 1 9 0 0 0 19 11 0 0 0 # -14.82 -13.11 60.29 Env_2i78_5 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0397 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 1 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 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.4855 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 107 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 6 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 1 1 0 0 0 0 0 1 1 0 0 0 0 -0.5816 4 2 0 2 0 0 0 0 0 1.5 0 1 79.72 0.666 0.666 0 0.666 -1 9 67 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 4 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 4 6 0 2 0 0 0 3 2 0 0 0 0 -1.5181 17 10 2 5 0 0 0 2 0 4 0 10 413.199 0.999 0.999 0 0.999 -3 17 146 0 0 0 0 0 0 11 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 3 11 3 0 4 2 0 11 0 0 16 0 0 0 1 0 0 0 0 16 1 0 0 0 3 4 7 4 1 0 1 1 2 1 0 0 0 -4.0151 24 14 6 4 0 0 1 4.5 1.5 2 8 10 550.033 0.999 0.999 0 1.499 -5 52 720 1 1 0 0 0 0 4 0 2 0 0 0 0 0 0 5 0 7 2 2 0 0 3 5 16 0 10 7 3 4 0 0 15 0 0 0 0 9 0 0 0 15 9 0 0 0 6 17 5 5 1 0 2 5 3 2 0 0 0 -6.7559 46 28 8 10 0 0 2 6 2 6.5 6 17 1133.96 1.998 1.332 0.666 2.498 -6 75 1734 3 7 3 5 0 0 1 0 5 0 0 0 0 3 0 1 1 7 2 8 0 0 14 13 19 0 21 7 12 6 0 0 11 0 3 0 8 21 3 0 0 11 32 3 0 0 # -15.12 -7.19 67.06