# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3el8 # POINT_FILE ./pocket_res_ptf/3el8_PD5_A_601.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_3el8_0 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 43 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 0 0 1 0 0 0 0 1 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 1 327 1 0 0 4 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 2 4 0 0 2 0 0 4 0 0 0 0 0 0 0 1 5 0 0 0 1 5 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 8 150 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 0 0 1 0 0 3 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 2 5 4 3 0 0 1 1 0 0 0 0 0 -1.8227 16 11 4 1 0 0 0 3.5 0.5 1 5 5 406.557 0 0 0 0.5 1 28 930 3 0 4 0 0 0 0 1 2 0 0 0 0 6 0 0 0 0 0 0 0 0 9 0 6 1 9 5 2 0 0 4 0 0 0 0 0 7 5 0 0 4 7 5 0 0 2 2 3 0 0 0 1 3 1 0 0 0 0 -2.3494 12 7 1 4 0 0 0 0.5 0.5 3.5 4 7 276.359 0.333 0.333 0 0.833 -3 18 504 0 0 3 1 0 0 1 1 2 0 0 0 0 3 0 0 0 0 0 1 0 0 4 2 5 1 4 4 2 2 0 3 1 0 0 1 0 4 3 0 0 4 5 3 0 0 5 8 2 3 0 1 0 3 1 0 0 0 0 -1.7443 23 15 4 4 0 0 0 3 1 3.5 2 12 581.408 1.999 0.999 1 1.999 0 28 722 2 0 1 5 0 0 2 1 2 1 4 1 0 1 0 0 0 0 0 3 0 0 11 8 3 1 11 2 3 7 0 3 2 0 0 5 0 2 11 0 0 5 7 11 0 0 # -3.01 4.44 5.23 Env_3el8_1 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0388 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 1 0 0 0 0 0 0 0 1 0 0 1 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 1 0 0 0 -0.6162 7 3 2 2 0 0 1 2 0 1 0 5 157.455 0 0 0 0 -4 3 146 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 5 0 0 1 0 0 1 1 5 0 1 5 0 1 0 0 0 0 0 6 0 0 1 0 0 0 6 1 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 -1.3795 3 1 0 2 0 0 0 0 0 2 0 2 56.498 0 0 0 0 -1 2 46 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 0 2 0 1 2 0 0 0 0 0 0 0 2 0 0 1 0 0 0 2 1 0 0 3 9 2 4 0 0 0 2 0 0 0 0 0 -1.536 20 14 4 2 0 0 0 4 0 2 2 13 528.756 0 0 0 0 1 11 635 3 0 0 0 0 1 4 0 0 0 3 0 0 0 0 0 0 0 5 4 0 0 10 4 6 0 10 6 0 4 0 0 0 0 0 15 0 0 5 0 0 0 15 5 0 0 6 13 3 4 0 0 0 3 0 0 0 0 0 -1.9112 29 22 4 3 0 0 0 4 0 3 4 15 794.352 0 0 0 0 6 34 685 4 0 0 0 0 3 1 0 0 4 4 0 0 0 0 0 0 0 6 7 0 0 19 1 9 0 19 9 0 1 0 0 0 0 0 22 0 0 7 0 0 0 22 7 0 0 3 13 0 1 0 0 0 3 1 1 1 0 0 -2.6311 23 16 1 5 1 0 1 1 0 3.5 0 11 629.663 0.666 0.666 0 0.666 3 32 590 2 0 0 0 0 1 2 0 0 4 1 1 2 0 0 0 0 0 4 6 0 0 15 3 5 0 15 5 1 2 0 0 2 0 0 12 0 0 9 0 0 2 12 9 0 0 # 5.35 3.08 13.5 Env_3el8_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 37 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 -0.1028 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 228 0 0 0 0 0 0 0 0 0 0 0 1 4 0 0 0 0 0 0 1 0 0 5 1 0 0 5 0 1 0 0 0 5 0 0 0 1 0 0 0 0 5 1 0 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 66 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 2 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 3 10 0 3 0 0 0 3 0 0 1 0 0 -2.2515 20 13 3 3 1 0 0 3 0 3 0 12 539.044 0 0 0 0 2 16 645 3 0 0 0 0 1 1 0 0 0 5 4 2 0 0 0 0 0 0 4 0 0 14 5 1 0 14 1 4 1 0 0 11 0 0 2 4 0 3 0 0 11 6 3 0 0 3 13 0 3 0 0 0 3 0 0 0 0 0 -2.1495 22 16 3 3 0 0 0 3 0 3 0 12 613.053 0 0 0 0 3 23 1031 2 0 0 0 0 4 1 0 0 0 8 6 0 0 0 0 0 0 0 1 0 0 11 7 4 0 11 4 6 1 0 0 7 0 0 4 6 0 5 0 0 7 10 5 0 0 5 11 4 1 0 0 0 4 0 0 0 0 0 -0.8588 25 20 1 4 0 0 0 1 0 4 4 12 683.484 0 0 0 0 2 43 1397 1 2 0 0 0 6 2 0 0 0 3 5 0 0 0 0 0 4 0 2 0 0 6 9 10 0 10 6 7 2 0 0 5 0 0 2 9 0 9 0 0 5 11 9 0 0 # -2.82 -1.9 13.41 Env_3el8_3 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.2399 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 41 0 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 0 1 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 -0.0309 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 176 0 0 0 0 0 0 0 0 0 1 0 4 0 0 0 0 1 0 0 0 0 0 1 4 1 0 1 1 4 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 -1.1312 3 1 0 2 0 0 0 0 0 2 0 2 56.498 0 0 0 0 -1 2 66 0 0 0 0 0 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 1 2 0 0 1 0 1 1 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 3 10 0 3 0 0 0 2 0 1 0 0 0 -1.6348 19 13 3 3 0 0 1 3 0 2 0 12 518.186 0 0 0 0 -1 12 284 0 0 0 0 0 0 1 0 0 9 0 1 0 0 0 0 5 0 0 3 0 0 12 2 5 0 12 5 1 1 0 0 0 0 0 19 0 0 0 0 0 0 19 0 0 0 3 10 5 4 0 0 0 1 0 0 0 0 0 -2.0031 23 18 4 1 0 0 0 4 0 1 5 10 636.277 0 0 0 0 5 35 641 2 0 0 0 0 0 2 0 0 3 1 1 0 3 0 0 1 2 4 4 0 0 13 3 7 0 15 5 1 2 0 0 0 0 0 20 3 0 0 0 0 0 23 0 0 0 4 14 5 2 0 1 1 4 1 1 0 0 0 -5.0697 33 23 4 6 0 0 1 2 2 4.5 6 15 883.534 1.333 0.333 1 1.333 6 46 852 2 0 0 0 0 0 2 2 0 4 3 1 0 2 0 0 3 6 4 4 0 0 15 3 13 2 21 9 1 2 0 0 1 0 0 28 2 0 2 0 0 1 30 2 0 0 # 2.31 10.72 13.87 Env_3el8_4 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0337 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 21 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 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 -0.4879 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 133 4 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 5 1 0 0 5 0 0 1 0 0 0 0 0 1 0 0 5 0 0 0 1 5 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 15 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 1 1 0 0 0 3 7 1 1 0 0 0 2 1 0 0 0 0 -0.4128 15 11 1 3 0 0 0 1 0 2.5 1 7 399.952 0.666 0.666 0 0.666 1 16 363 0 0 1 6 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 6 0 0 6 7 2 0 6 1 2 6 0 1 0 0 0 5 0 0 9 0 0 1 5 9 0 0 4 9 0 4 0 0 2 0 1 0 0 0 0 -1.7312 20 13 6 1 0 0 0 5 1 0.5 2 11 528.1 0.333 0.333 0 1.333 -2 22 485 0 0 3 1 0 0 0 0 2 3 5 1 0 1 0 0 0 0 0 4 0 0 13 2 5 0 13 3 3 1 0 3 0 0 2 8 0 1 6 0 0 3 11 6 0 0 1 13 3 3 0 0 0 6 0 0 1 0 0 -6.3335 27 17 3 6 1 0 0 3 0 6 3 11 690.949 0 0 0 0 3 36 725 1 0 3 0 0 0 0 0 2 5 8 3 1 2 0 0 0 0 0 2 0 0 19 3 5 0 19 3 5 0 0 4 1 0 5 10 1 2 4 0 0 5 18 4 0 0 # -0.25 1.8 4.9 Env_3el8_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 11 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 -0.3241 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 133 1 0 0 0 0 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 1 1 0 4 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.5543 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 2 98 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 1 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 3 8 0 2 0 0 0 3 2 0 0 0 0 -2.7902 18 11 2 5 0 0 0 2 0 4 0 10 446.709 0.999 0.999 0 0.999 -2 21 740 3 0 0 0 0 5 3 1 0 0 2 0 1 2 0 0 0 0 0 1 0 0 9 3 5 1 9 6 0 3 0 0 13 0 0 0 3 2 0 0 0 13 5 0 0 0 5 10 0 5 0 0 0 3 0 0 1 0 0 -1.6938 24 15 5 3 1 0 0 5 0 3 0 15 631.699 0 0 0 0 -1 19 1084 2 0 0 0 0 6 0 3 0 0 2 0 4 3 0 0 0 0 0 4 0 0 15 0 6 3 15 9 0 0 0 0 15 0 0 0 5 4 0 0 0 15 9 0 0 0 5 10 2 4 0 1 0 6 1 0 0 0 0 -4.0546 29 17 5 7 0 0 0 4 1 6.5 2 15 697.047 1.666 0.666 1 1.666 -2 36 1461 5 0 0 3 0 4 2 0 0 3 3 1 1 6 0 0 0 0 0 1 0 0 19 6 4 0 19 4 1 5 0 0 6 0 0 4 9 2 8 0 0 6 15 8 0 0 # -6.19 3.83 13.23 Env_3el8_6 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 20 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 3 0 2 0 0 0 1 0 0 0 0 0 -0.5446 8 5 2 1 0 0 0 2 0 1 0 5 207.318 0 0 0 0 0 5 161 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 6 0 0 7 0 1 0 7 1 0 0 0 0 0 0 1 0 0 0 7 0 0 0 1 7 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 -1.3866 2 0 0 2 0 0 0 0 0 1.5 0 1 25.631 0.333 0.333 0 0.333 -2 4 49 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 2 8 0 1 0 0 0 2 0 0 0 0 0 -0.3423 13 10 1 2 0 0 0 1 0 2 0 6 359.294 0.333 0.333 0 0.333 3 13 283 0 0 0 0 0 4 2 0 0 0 3 3 0 0 0 0 0 0 0 1 0 0 4 5 4 0 4 4 3 2 0 0 0 0 3 4 0 0 6 0 0 0 7 6 0 0 3 11 0 4 0 0 0 4 1 0 1 0 0 -3.3092 24 14 4 5 1 0 0 4 0 4.5 0 14 612.322 0.333 0.333 0 0.333 -3 23 520 3 0 0 0 0 1 4 0 1 0 3 6 2 0 0 0 1 0 0 3 0 0 11 10 3 0 11 2 7 4 0 0 0 0 1 10 2 0 11 0 0 0 13 11 0 0 6 13 0 3 0 1 0 2 0 1 1 0 0 -1.4369 27 19 4 3 1 0 1 3 1 2 0 12 776.638 1 0 1 1 5 40 909 1 0 0 0 0 3 4 0 1 0 5 4 4 0 0 0 4 0 0 1 0 0 11 8 8 0 11 7 5 4 0 0 2 0 2 10 4 0 9 0 0 2 16 9 0 0 # 3.84 -0.73 8.01 Env_3el8_7 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 46 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 1 184 0 0 0 0 0 0 0 0 0 1 4 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 5 124 0 0 0 0 0 0 0 1 0 1 2 0 0 0 0 0 0 0 0 0 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 11 0 4 0 0 0 2 0 0 0 0 0 -1.0386 21 15 4 2 0 0 0 4 0 2 0 13 582.186 0 0 0 0 2 16 243 0 0 0 0 0 0 0 1 0 4 2 3 3 0 0 3 0 0 0 5 0 0 14 3 3 1 14 4 3 0 0 0 1 0 3 13 0 0 4 0 0 1 16 4 0 0 2 13 0 3 0 0 0 4 0 0 1 0 0 -3.8117 23 15 3 4 1 0 0 3 0 4 0 14 617.558 0 0 0 0 0 14 281 2 0 2 0 3 0 0 3 0 1 2 2 2 0 0 2 0 0 0 4 0 0 11 2 7 3 11 10 2 0 0 3 2 0 2 8 0 0 8 0 0 5 10 8 0 0 7 13 0 6 0 0 0 5 0 1 0 1 0 -2.5174 33 20 6 6 1 0 1.5 6 0 5 0 23 856.17 0 0 0 0 -5 22 795 5 0 2 0 3 0 0 1 0 1 5 7 3 0 0 1 0 0 0 5 0 0 19 7 6 1 19 7 7 0 0 5 5 0 1 9 5 0 8 0 0 10 15 8 0 0 # 5.69 3.46 1.64