# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3eqh # POINT_FILE ./pocket_res_ptf/3eqh_5BM_A_1.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_3eqh_0 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 20 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 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 -0.3149 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 175 0 0 0 0 0 1 0 0 0 1 4 0 0 0 0 0 0 0 0 0 0 0 5 0 1 0 5 1 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 2 0 0 0 0 0 2 0 1 0 0 0 -1.8493 5 2 0 3 0 0 1 0 0 2 0 2 107.165 0 0 0 0 -1 7 77 0 0 0 0 0 1 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 2 0 3 0 2 3 0 0 0 0 3 0 0 0 0 0 2 0 0 3 0 2 0 0 3 11 0 4 0 0 0 1 0 0 0 0 0 -0.6356 19 14 4 1 0 0 0 4 0 1 0 10 537.182 0 0 0 0 2 16 672 0 0 0 1 0 4 0 2 0 5 1 0 2 0 0 4 0 0 0 0 0 0 8 1 8 2 8 10 0 1 0 0 17 0 0 0 0 0 2 0 0 17 0 2 0 0 3 12 0 3 0 0 0 2 1 1 1 0 0 -3.5361 23 15 3 4 1 0 1 3 0 2.5 0 11 623.225 0.333 0.333 0 0.333 0 29 924 0 0 0 3 0 3 1 2 0 6 0 0 3 0 0 5 0 0 0 0 0 0 9 4 8 2 9 10 0 4 0 0 21 0 0 0 0 0 2 0 0 21 0 2 0 0 5 10 0 2 0 0 0 4 3 0 0 0 0 -3.4609 24 15 2 7 0 0 0 2 0 5.5 0 9 593.449 1.665 1.665 0 1.665 1 41 966 1 0 0 4 0 0 4 0 0 7 4 0 2 0 0 1 0 0 0 1 0 0 15 8 1 0 15 1 0 8 0 0 20 0 0 1 1 0 2 0 0 20 2 2 0 0 # -1.28 51.47 37.45 Env_3eqh_1 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 34 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 1 155 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 4 0 0 4 0 1 1 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 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 84 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 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 2 4 0 1 0 0 0 1 0 0 0 0 0 0.3066 8 6 1 1 0 0 0 1 0 1 0 6 226.691 0 0 0 0 -1 4 121 0 0 0 0 0 0 0 2 0 1 0 0 0 2 0 3 0 0 0 0 0 0 3 0 3 2 3 5 0 0 0 0 0 0 0 0 0 0 8 0 0 0 0 8 0 0 0 8 3 1 1 0 0 2 0 1 0 0 0 -4.193 16 11 2 3 0 0 1 1 1 2 3 4 416.562 0 0 0 0 5 30 461 0 1 0 0 0 0 1 1 0 4 2 0 0 5 0 2 0 0 0 0 0 0 11 2 2 1 11 3 1 1 0 1 4 0 0 0 0 1 10 0 0 5 1 10 0 0 3 15 3 2 1 0 1 2 1 0 0 0 0 -2.1507 28 21 4 3 0 0 0 3 1 2.5 3 10 780.766 0.999 0.333 0.666 1.499 6 48 1014 0 3 0 1 0 0 4 2 2 2 8 0 1 3 0 0 0 0 0 2 0 0 16 8 2 2 16 2 5 5 0 4 15 0 0 0 0 3 6 0 0 19 3 6 0 0 # 3.31 54.45 31.38 Env_3eqh_2 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0212 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 9 0 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 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 -0.4284 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -3 1 107 0 0 0 1 4 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 4 0 1 4 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 1 0 0 0 1 0 -0.8797 2 0 0 1 1 0 0.5 0 0 1 0 1 38.015 0 0 0 0 -2 2 12 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 2 6 2 2 0 0 1 1 0 0 0 0 0 -0.8135 14 10 3 1 0 0 0 2.5 0.5 1 3 6 368.538 0.333 0.333 0 0.833 2 18 380 0 0 1 4 0 0 0 0 1 0 3 0 0 3 0 0 0 0 0 2 0 0 8 4 2 0 8 1 1 4 0 1 0 0 0 3 0 0 10 0 0 1 3 10 0 0 3 11 6 3 0 0 0 3 2 0 0 0 0 -4.5926 28 20 3 5 0 0 0 3 0 4 6 9 724.852 0.666 0.666 0 0.666 4 51 507 0 0 6 3 0 0 0 0 2 2 4 2 0 6 0 0 0 0 0 3 0 0 15 5 8 0 15 6 4 3 0 6 0 0 1 7 0 0 14 0 0 6 8 14 0 0 5 11 1 2 0 0 1 5 0 0 1 0 0 -2.6479 26 17 3 5 1 0 0 2.5 0.5 5 2 16 683.141 0 0 0 0.5 0 22 387 0 0 1 0 0 0 0 0 2 8 5 2 1 2 0 2 0 0 1 2 0 0 18 2 6 0 18 4 4 0 0 3 0 0 6 10 1 0 6 0 0 3 17 6 0 0 # -1.08 63.69 29.56 Env_3eqh_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 29 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 0.1059 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 160 0 1 0 0 0 0 0 0 0 0 1 4 0 0 0 0 0 0 0 0 0 0 1 5 0 0 1 0 5 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 -1.1386 3 1 0 2 0 0 0 0 0 2 0 2 56.498 0 0 0 0 -1 2 90 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 2 0 0 1 0 2 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 3 16 0 3 0 0 0 1 0 0 0 0 0 -0.8738 23 19 3 1 0 0 0 3 0 1 0 11 690.595 0 0 0 0 6 26 597 0 4 0 0 0 0 0 0 0 5 5 2 1 0 0 0 0 0 0 6 0 0 17 6 0 0 17 0 6 0 0 0 0 0 0 23 0 0 0 0 0 0 23 0 0 0 3 7 1 4 0 0 0 4 0 1 1 0 0 -3.7321 21 11 4 5 1 0 1 4 0 4 1 13 507.823 0 0 0 0 -3 20 374 2 1 0 0 1 0 0 0 0 6 1 0 1 3 0 3 0 0 0 3 0 0 16 1 4 0 16 4 1 0 0 0 0 0 0 21 0 0 0 0 0 0 21 0 0 0 4 15 2 2 1 1 0 3 0 0 0 1 0 -2.0582 29 21 4 3 1 0 0.5 2 2 3 2 14 827.156 1 0 1 1 4 33 478 2 1 0 0 4 0 0 3 0 4 1 1 2 5 0 3 0 0 0 3 0 0 17 2 7 3 17 10 2 0 0 0 0 0 0 26 0 0 3 0 0 0 26 3 0 0 # -3.35 64.18 40.84 Env_3eqh_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 16 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 0 106 0 0 0 0 0 0 0 3 0 0 0 0 0 1 0 0 0 0 0 1 0 0 2 0 0 3 2 3 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 5 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.6338 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 3 88 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 1 0 0 1 0 1 0 0 1 7 0 2 1 0 0 3 0 0 0 0 0 -2.3018 14 8 3 3 0 0 0 2 1 3 0 8 351.415 0 0 0 0 -2 12 526 0 3 0 1 0 0 0 0 1 1 0 0 1 3 0 1 0 0 0 3 0 0 8 4 2 0 8 1 4 1 0 0 1 0 0 0 0 3 10 0 0 1 3 10 0 0 4 8 3 1 1 0 0 2 0 0 0 0 0 -0.206 19 15 2 2 0 0 0 1.5 0.5 2 2 10 531.353 0.666 0 0.666 0.666 3 26 676 0 5 0 1 0 0 0 0 2 2 0 0 1 2 0 3 0 0 0 3 0 0 8 6 5 0 8 3 7 1 0 0 1 0 0 0 0 5 13 0 0 1 5 13 0 0 1 15 5 6 1 0 2 1 0 1 0 0 0 -5.5102 32 21 9 2 0 0 1 7.5 1.5 1 7 13 835.441 0.333 0 0.333 1.333 0 49 1152 0 3 0 6 0 0 0 2 7 6 1 0 3 2 0 1 0 0 1 0 0 0 12 9 9 2 12 4 10 6 0 0 6 0 0 0 0 3 23 0 0 6 3 23 0 0 # -0.22 54.49 30.01 Env_3eqh_5 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 68 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 1 305 0 0 0 4 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 4 1 0 1 1 0 4 0 0 0 0 0 0 0 0 6 0 0 0 0 6 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 8 213 0 0 0 3 1 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 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 2 4 3 2 0 0 1 2 0 0 0 1 0 -1.8655 15 9 3 2 1 0 0.5 2.5 0.5 2 4 5 370.404 0 0 0 0.5 -3 25 195 0 0 3 0 4 0 0 0 2 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 9 0 6 7 2 0 0 3 0 0 0 0 0 0 12 0 0 3 0 12 0 0 1 1 5 1 0 1 1 0 0 0 0 0 0 -1.7447 10 7 3 0 0 0 0 1.5 1.5 0 6 2 261.409 1 0 1 1.5 4 28 149 0 0 1 0 0 0 0 1 2 0 1 1 0 4 0 0 0 0 0 0 0 0 5 1 3 1 5 2 3 0 0 1 0 0 0 2 0 0 7 0 0 1 2 7 0 0 4 8 1 2 0 0 0 4 1 0 1 0 0 -1.8027 21 13 2 5 1 0 0 2 0 4.5 1 13 524.676 0.666 0.666 0 0.666 -4 19 540 0 0 3 7 0 0 0 2 2 0 3 2 1 0 0 0 0 0 0 1 0 0 5 9 5 2 5 5 4 7 0 3 0 0 0 6 0 0 12 0 0 3 6 12 0 0 # -2.33 60.48 31.17 Env_3eqh_6 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 24 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 -0.2996 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 180 0 0 0 1 0 0 0 1 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 1 0 1 4 1 0 1 0 0 0 0 0 0 0 0 6 0 0 0 0 6 0 0 0 0 3 0 0 0 0 2 0 0 0 0 0 -1.389 5 3 0 2 0 0 0 0 0 2 3 2 96.609 0 0 0 0 1 8 140 0 0 0 1 0 0 0 0 1 0 0 0 0 3 0 0 0 0 0 0 0 0 3 1 1 0 3 0 1 1 0 0 0 0 0 0 0 0 5 0 0 0 0 5 0 0 3 5 5 2 0 0 2 1 0 0 0 0 0 -0.8248 18 13 4 1 0 0 0 3 1 1 7 9 469.227 0 0 0 1 -1 26 336 0 0 0 3 2 0 0 2 8 0 0 0 0 2 0 0 0 0 0 1 0 0 3 3 10 2 3 4 8 3 0 0 0 0 0 0 0 0 18 0 0 0 0 18 0 0 2 9 1 4 0 0 0 2 0 0 0 0 0 -1.7317 18 12 4 2 0 0 0 4 0 2 1 10 461.736 0.333 0.333 0 0.333 0 19 612 0 3 0 4 2 0 0 1 1 1 1 0 2 1 0 0 0 0 0 2 0 0 7 7 3 1 7 3 4 4 0 0 1 0 0 0 0 3 14 0 0 1 3 14 0 0 6 14 0 3 1 0 0 4 3 0 0 0 0 -4.9946 31 20 4 7 0 0 0 3 1 5.5 0 12 806.007 1.332 1.332 0 1.332 -1 45 943 0 5 4 6 1 0 0 0 0 2 7 0 1 0 0 1 0 0 0 4 0 0 14 11 6 0 14 6 5 6 0 4 3 0 0 5 0 5 14 0 0 7 10 14 0 0 # -0.55 58.11 28.79 Env_3eqh_7 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 20 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 -0.0744 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 81 0 0 0 0 1 0 0 0 0 4 0 0 0 0 0 1 0 0 0 0 0 0 4 0 2 0 4 2 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 1 0 0 0 0 0 -0.9312 3 2 0 1 0 0 0 0 0 1 0 1 78.514 0 0 0 0 1 4 41 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 0 2 0 1 0 2 1 0 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 3 9 0 2 0 0 0 3 0 0 0 1 0 -1.2509 18 12 2 3 1 0 0.5 2 0 3 0 12 491.397 0 0 0 0 -3 9 210 2 0 0 0 5 0 0 2 0 1 0 5 0 0 0 3 0 0 0 0 0 0 3 5 8 2 3 10 5 0 0 0 0 0 0 18 0 0 0 0 0 0 18 0 0 0 3 8 2 4 0 0 0 3 0 1 1 0 0 -3.6997 22 13 4 4 1 0 1 4 0 3 2 11 556.36 0 0 0 0 2 30 360 3 3 0 0 0 0 0 0 0 3 2 2 4 4 0 1 0 0 0 0 0 0 16 5 1 0 16 1 5 0 0 0 1 0 0 21 0 0 0 0 0 1 21 0 0 0 3 15 6 4 1 0 0 2 0 0 0 0 0 -2.5723 31 24 5 2 0 0 0 4 1 2 6 14 850.537 0 0 0 0 8 47 466 2 5 0 0 0 0 0 2 0 6 5 0 2 8 0 0 0 0 1 0 0 0 23 5 1 2 23 3 5 0 0 0 3 0 0 27 0 0 1 0 0 3 27 1 0 0 # 1.29 62.36 40.85