# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3nf7 # POINT_FILE ./pocket_res_ptf/3nf7_CIW_A_221.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_3nf7_0 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 0 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 1 0 2 0 0 0 1 0 0 0 0 0 -0.1751 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 12 0 0 0 0 0 0 1 0 0 4 0 0 0 0 0 0 0 0 1 0 0 0 4 1 1 0 4 1 0 1 0 0 0 0 0 5 0 0 1 0 0 0 5 1 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 -1.4991 4 2 0 2 0 0 0 0 0 2 0 2 90.008 0 0 0 0 0 4 2 1 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 1 0 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 3 7 4 3 0 0 0 3 0 0 0 0 0 -2.3297 20 14 3 3 0 0 0 3 0 3 4 9 509.496 0 0 0 0 2 29 131 1 0 3 0 0 0 5 1 0 1 0 0 0 0 0 0 0 1 6 2 0 0 4 5 10 1 5 10 0 5 0 0 3 0 0 10 0 0 7 0 0 3 10 7 0 0 3 10 6 3 0 0 1 0 0 0 0 0 0 -2.4773 23 19 4 0 0 0 0 3.5 0.5 0 8 6 638.873 0 0 0 0.5 9 45 229 4 0 1 0 0 0 0 1 5 0 0 0 0 0 0 0 0 2 3 7 0 0 11 0 11 1 13 5 5 0 0 0 6 0 0 13 0 0 4 0 0 6 13 4 0 0 5 16 3 2 1 0 1 5 2 2 1 0 0 -6.2264 38 24 4 9 1 0 2 3 1 6 4 17 977.819 1.332 0.999 0.333 1.832 0 63 367 3 1 2 0 0 0 3 3 7 1 2 0 2 0 0 1 0 2 1 10 0 0 18 4 13 3 20 7 8 3 0 0 18 0 0 16 1 0 3 0 0 18 17 3 0 0 # 13.31 -28.1 -2.9 Env_3nf7_1 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0581 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 39 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 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 -0.2121 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 215 0 0 1 0 0 0 0 0 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 5 0 1 1 4 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 2 0 0 0 1 2 0 0 0 0 0 -1.7128 5 2 1 2 0 0 0 0.5 0.5 2 3 2 84.225 0 0 0 0.5 -3 8 173 1 0 0 0 0 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 2 0 3 0 2 0 3 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 4 7 1 3 0 0 1 3 0 0 0 0 0 -1.15 19 12 4 3 0 0 0 3.5 0.5 3 2 11 492.603 0 0 0 0.5 -2 19 658 1 0 4 0 0 0 0 0 3 5 0 2 0 2 0 0 0 0 0 2 0 0 10 2 7 0 10 4 5 0 0 0 17 0 0 0 0 0 2 0 0 17 0 2 0 0 2 14 0 3 0 0 0 1 0 0 0 0 0 -2.3259 20 16 3 1 0 0 0 3 0 1 0 9 587.426 0 0 0 0 5 25 674 1 0 3 0 0 0 0 0 3 5 1 3 0 2 0 0 0 0 0 2 0 0 11 3 6 0 11 3 6 0 0 0 15 0 0 2 0 0 3 0 0 15 2 3 0 0 2 13 2 3 0 1 1 4 1 0 0 0 0 -4.4067 27 17 5 5 0 0 0 3.5 1.5 4.5 3 9 699.921 1.333 0.333 1 1.833 4 40 945 4 0 0 0 0 0 2 1 3 5 1 4 2 2 0 0 0 0 0 3 0 0 17 6 3 1 17 1 7 2 0 0 19 0 0 3 0 0 5 0 0 19 3 5 0 0 # 18.27 -24.28 -7.6 Env_3nf7_2 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 32 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 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 -0.1705 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 229 0 0 1 0 0 0 0 0 0 0 0 0 4 0 0 1 0 0 0 0 0 0 4 0 2 0 4 2 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 -1.1341 3 1 0 2 0 0 0 0 0 2 0 2 56.498 0 0 0 0 -1 2 161 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 0 0 0 0 0 0 2 0 1 0 2 1 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 4 6 0 3 0 0 0 2 0 0 1 0 0 -0.3756 16 10 3 2 1 0 0 3 0 2 0 11 427.02 0 0 0 0 -1 10 1143 0 0 3 0 0 0 4 0 0 1 0 1 2 0 0 3 0 0 0 2 0 0 5 5 6 0 5 6 1 4 0 0 16 0 0 0 0 0 0 0 0 16 0 0 0 0 3 11 0 4 0 0 0 2 1 1 0 0 0 -3.4243 22 14 4 4 0 0 1 4 0 2.5 0 12 577.331 0.333 0.333 0 0.333 -3 22 1358 0 0 4 1 0 0 5 0 0 2 5 3 0 0 0 1 0 0 0 1 0 0 8 9 5 0 8 5 3 6 0 0 21 0 0 1 0 0 0 0 0 21 1 0 0 0 4 10 1 2 0 0 1 3 2 0 0 0 0 -2.934 23 15 3 5 0 0 0 2.5 0.5 4 2 7 574.966 1.332 1.332 0 1.832 2 37 1346 0 0 0 2 0 0 4 2 2 4 2 3 0 0 0 0 0 0 0 4 0 0 10 9 2 2 10 2 5 6 0 0 19 0 0 4 0 0 0 0 0 19 4 0 0 0 # 12.34 -30.43 -12.58 Env_3nf7_3 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 0 0 0 1 0 0 0 0 0 0 1 0 0 0 2 2 0 2 0 0 0 0 0 0 0 0 0 0.3425 6 4 2 0 0 0 0 2 0 0 0 4 162.314 0 0 0 0 0 3 76 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 4 0 0 5 0 1 0 5 0 1 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 1 0 0 0 0 0 3 0 0 0 0 0 -2.0229 4 1 0 3 0 0 0 0 0 3 0 3 67.992 0 0 0 0 -2 2 40 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 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 2 7 2 3 0 0 0 2 0 0 0 0 0 -2.0881 16 11 3 2 0 0 0 3 0 2 2 10 420.031 0 0 0 0 1 14 74 3 0 0 0 0 2 0 0 4 4 0 0 0 0 0 0 0 2 1 0 0 0 7 0 9 0 9 3 4 0 0 0 0 0 0 15 0 0 1 0 0 0 15 1 0 0 5 13 4 3 0 0 0 3 0 0 1 0 0 -0.95 29 22 3 3 1 0 0 3 0 3 4 16 794.852 0 0 0 0 6 31 547 0 0 0 0 0 4 2 3 1 2 0 0 2 0 0 0 0 6 2 7 0 0 11 2 13 3 17 9 1 2 0 0 2 0 0 19 3 0 5 0 0 2 22 5 0 0 4 12 7 4 0 0 3 4 0 1 0 0 0 -5.1229 35 23 7 5 0 0 1 5 2 4 10 15 884.899 0 0 0 1 1 54 502 0 0 0 2 0 0 4 1 3 4 5 0 1 0 0 1 0 6 4 4 0 0 14 6 14 1 20 6 3 6 0 0 4 0 0 22 4 0 5 0 0 4 26 5 0 0 # 9.34 -29.61 -3.75 Env_3nf7_4 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 22 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 -0.2047 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 72 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 2 3 0 5 0 0 0 0 0 0 0 0 1 0 4 0 0 0 1 4 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 -1.1358 2 0 0 2 0 0 0 0 0 2 0 2 22.988 0 0 0 0 -2 0 4 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 2 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 2 0 0 0 2 6 0 1 1 0 1 2 0 1 0 0 0 -2.4851 14 8 3 3 0 0 1 2 1 2 1 7 367.37 0.333 0 0.333 0.833 -3 17 236 1 1 0 0 0 0 0 0 2 0 0 0 0 0 0 4 0 0 4 2 0 0 3 1 10 0 3 8 3 0 0 0 3 0 0 2 5 0 4 0 0 3 7 4 0 0 3 9 4 4 1 0 1 2 0 0 0 0 0 -1.8438 24 16 6 2 0 0 0 4.5 1.5 2 4 14 610.572 0.333 0 0.333 0.833 -3 27 735 6 2 0 0 0 0 0 0 6 2 0 0 0 0 0 0 0 0 1 7 0 0 15 2 7 0 15 1 8 0 0 0 6 0 0 10 7 0 1 0 0 6 17 1 0 0 1 9 5 3 1 0 1 2 0 0 1 0 0 -3.3314 23 15 5 2 1 0 0 4 1 2 6 6 586.307 0.333 0 0.333 0.833 3 41 601 3 3 1 0 0 0 0 1 4 4 0 0 1 0 0 0 0 0 2 4 0 0 12 3 7 1 12 4 7 0 0 0 11 0 0 7 3 0 2 0 0 11 10 2 0 0 # 9.46 -24.48 -6.4 Env_3nf7_5 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 93 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 3 545 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 5 0 0 6 0 0 1 6 1 0 0 0 0 7 0 0 0 0 0 0 0 0 7 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.8871 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 2 124 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 3 4 0 3 0 0 0 3 0 1 0 0 0 -1.6571 14 7 3 4 0 0 1 3 0 3 0 11 328.62 0 0 0 0 -6 4 1054 0 0 0 0 0 3 1 2 0 3 0 0 0 0 0 5 0 0 0 0 0 0 3 1 8 2 3 10 0 1 0 0 14 0 0 0 0 0 0 0 0 14 0 0 0 0 3 9 0 3 0 0 0 1 0 0 0 0 0 -0.3938 16 12 3 1 0 0 0 3 0 1 0 12 456.025 0 0 0 0 0 6 1252 0 0 0 0 0 3 3 0 0 3 0 0 3 0 0 4 0 0 0 0 0 0 6 3 7 0 6 7 0 3 0 0 16 0 0 0 0 0 0 0 0 16 0 0 0 0 2 8 0 1 0 0 0 3 1 1 0 0 0 -2.1243 16 10 1 5 0 0 1 1 0 3.5 0 6 402.082 0.666 0.666 0 0.666 0 21 1471 0 0 1 0 0 4 4 0 0 1 0 0 2 0 1 3 0 0 0 0 0 0 4 4 8 0 4 8 0 4 0 0 15 0 0 0 1 0 0 0 0 15 1 0 0 0 # 6.49 -30.14 -14.51