# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3hmm # POINT_FILE ./pocket_res_ptf/3hmm_855_A_857.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_3hmm_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 35 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 1 140 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 3 0 0 0 0 0 -1.7626 5 2 0 3 0 0 0 0 0 3 0 3 101.502 0 0 0 0 -1 5 92 0 0 0 0 1 0 0 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 3 0 1 1 3 2 0 0 0 0 0 0 0 4 0 0 1 0 0 0 4 1 0 0 4 8 0 4 0 0 0 1 0 0 0 1 0 -0.948 18 12 4 1 1 0 0.5 4 0 1 0 12 496.683 0 0 0 0 -1 11 102 0 0 0 0 3 0 0 1 0 4 2 0 0 0 0 3 0 0 0 5 0 0 11 0 6 1 11 7 0 0 0 0 1 0 3 13 0 0 1 0 0 1 16 1 0 0 2 12 2 3 0 0 0 4 0 0 0 1 0 -3.2103 24 16 3 4 1 0 0.5 3 0 4 2 14 631.148 0 0 0 0 -4 16 241 0 0 2 0 6 0 0 2 3 3 2 1 0 0 0 3 1 0 0 1 0 0 6 1 15 2 6 14 4 0 0 3 2 0 2 10 0 0 7 0 0 5 12 7 0 0 7 15 1 4 0 0 2 5 0 1 0 0 0 -3.0678 35 23 6 6 0 0 1 5 1 5 3 21 929.632 0 0 0 1 -2 33 908 3 0 2 0 2 0 0 0 10 3 6 5 0 1 0 2 1 0 0 0 0 0 13 5 17 0 13 7 15 0 0 5 5 0 1 5 4 0 15 0 0 10 10 15 0 0 # 15.73 74.9 5.17 Env_3hmm_1 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 18 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 81 1 0 0 4 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 4 0 0 2 0 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 63 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 7 1 2 0 1 1 0 1 1 0 0 0 -1.8803 16 10 4 2 0 0 1 2.5 1.5 0.5 2 5 428.837 1.666 0.666 1 2.166 1 34 101 3 0 1 0 0 0 2 1 2 0 5 1 0 0 0 0 0 0 1 0 0 0 8 3 4 1 8 3 3 2 0 1 3 0 0 1 1 0 10 0 0 4 2 10 0 0 4 5 2 1 2 0 1 4 1 0 0 0 0 -4.9512 20 11 4 5 0 0 0 2.5 1.5 4.5 4 7 476.307 0.999 0.333 0.666 1.499 -7 48 293 0 2 6 0 0 0 2 1 2 2 2 1 0 0 0 0 0 0 2 0 0 0 4 5 10 1 4 9 5 2 0 6 4 0 0 3 1 2 4 0 0 10 6 4 0 0 1 8 4 3 0 0 0 1 1 0 0 0 0 -2.257 18 13 3 2 0 0 0 3 0 1.5 3 6 463.832 0.666 0.333 0.333 0.666 4 29 275 0 1 1 3 0 0 1 1 1 4 3 1 0 0 0 0 0 0 2 0 0 0 7 6 4 1 7 4 3 4 0 1 3 0 0 5 2 1 6 0 0 4 8 6 0 0 # 11.53 67.7 10.68 Env_3hmm_2 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 33 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 1 0 0 0 0 0 -0.2861 7 4 2 1 0 0 0 2 0 1 0 5 173.808 0 0 0 0 -1 3 294 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 5 0 0 5 1 1 0 6 0 0 1 0 0 0 0 0 7 0 0 0 0 0 0 7 0 0 0 0 1 0 0 0 0 0 3 0 0 0 0 0 -2.0369 4 1 0 3 0 0 0 0 0 3 0 3 67.992 0 0 0 0 -2 2 132 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 1 0 1 2 1 0 1 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 3 10 2 3 0 0 0 1 0 0 0 0 0 -0.5831 19 15 3 1 0 0 0 3 0 1 2 11 536.635 0 0 0 0 3 14 932 0 0 0 0 0 0 4 3 0 1 0 4 0 0 0 0 0 6 0 1 0 0 2 8 6 3 8 3 4 4 0 0 0 0 0 19 0 0 0 0 0 0 19 0 0 0 6 7 2 6 0 0 1 2 1 0 0 0 0 -0.3992 25 15 7 3 0 0 0 6 1 2.5 3 16 606.383 0.666 0.666 0 0.666 -5 26 1379 0 1 0 0 0 0 2 3 0 7 0 5 0 0 0 1 0 3 0 3 0 0 10 8 4 3 13 4 6 2 0 0 0 0 0 22 0 2 1 0 0 0 24 1 0 0 3 18 2 1 0 0 0 6 1 1 0 0 0 -5.4468 32 23 1 8 0 0 1 1 0 6.5 2 16 871.147 0.333 0.333 0 0.333 2 39 1604 4 1 0 0 0 0 3 2 0 7 0 6 0 0 0 5 0 2 0 2 0 0 13 10 7 2 15 7 7 3 0 0 0 0 0 30 0 1 1 0 0 0 31 1 0 0 # 19.56 62.21 5.3 Env_3hmm_3 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 9 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 54 4 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 -1.6937 3 0 0 3 0 0 1 0 0 2 0 2 40.145 0 0 0 0 -3 6 25 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 2 0 1 2 0 0 0 1 1 0 0 1 0 0 0 0 0 2 1 0 0 0 3 9 0 3 0 0 0 0 0 0 0 0 0 -0.6135 15 12 3 0 0 0 0 3 0 0 1 7 431.6 0 0 0 0 4 18 142 0 0 1 3 0 0 0 0 0 4 6 0 0 0 0 0 0 0 1 0 0 0 10 3 2 0 10 2 0 3 0 1 1 0 0 4 0 0 9 0 0 2 4 9 0 0 4 13 3 3 0 0 2 2 1 0 0 0 0 -3.4958 28 20 5 3 0 0 0 4 1 2.5 5 10 747.915 0.666 0.666 0 1.666 3 49 289 0 0 4 2 2 0 1 0 3 5 9 0 0 0 0 0 0 0 2 0 0 0 14 3 11 0 14 8 3 3 0 4 3 0 2 8 0 0 11 0 0 7 10 11 0 0 4 12 4 4 0 1 0 5 2 0 0 1 0 -5.7065 33 20 5 7 1 0 0.5 4 1 6 4 14 825.694 1.999 0.999 1 1.999 -1 48 315 0 0 3 2 4 0 1 2 2 9 7 1 0 0 0 0 0 0 2 0 0 0 16 4 11 2 16 11 3 3 0 2 3 0 4 13 2 0 9 0 0 5 19 9 0 0 # 11.14 70.42 8.06 Env_3hmm_4 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 13 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 1 0 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 1 0 0 0 -0.7483 7 3 2 2 0 0 1 2 0 1 0 5 157.455 0 0 0 0 -4 3 127 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 1 0 0 1 1 5 0 1 5 0 1 0 0 0 0 0 7 0 0 0 0 0 0 7 0 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 13 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 0 0 0 1 0 0 1 0 0 0 1 1 0 0 4 11 0 4 0 0 0 2 0 0 0 0 0 -0.8076 21 15 4 2 0 0 0 4 0 2 0 14 582.186 0 0 0 0 1 11 685 4 0 0 4 0 0 0 1 0 5 0 0 0 3 0 0 0 0 0 4 0 0 16 4 0 1 16 1 0 4 0 0 0 0 0 20 0 0 1 0 0 0 20 1 0 0 4 11 2 4 0 0 0 2 2 0 0 0 0 -3.168 25 17 4 4 0 0 0 4 0 3 2 12 644.629 0.999 0.999 0 0.999 2 29 614 2 0 0 3 0 0 0 2 0 2 5 0 0 4 0 0 0 0 1 6 0 0 19 3 1 2 19 3 0 3 0 0 0 0 0 19 0 0 6 0 0 0 19 6 0 0 3 10 4 2 0 0 0 4 0 0 0 0 0 -2.913 23 17 2 4 0 0 0 2 0 4 4 14 615.964 0 0 0 0 3 23 493 3 0 0 0 0 0 0 0 0 1 6 1 0 3 0 0 0 0 3 6 0 0 19 1 3 0 19 3 1 0 0 0 1 0 0 16 0 0 6 0 0 1 16 6 0 0 # 11.13 65.08 -0.18 Env_3hmm_5 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 12 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 1 0 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.3872 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 51 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 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 65 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 0 1 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 4 9 1 3 0 0 0 2 0 1 0 0 0 -1.41 20 14 3 3 0 0 1 3 0 2 1 13 544.707 0 0 0 0 0 12 431 0 1 0 2 0 0 0 1 0 0 0 0 0 0 0 4 0 1 3 8 0 0 8 3 8 1 9 8 1 2 0 0 0 0 0 17 0 0 3 0 0 0 17 3 0 0 4 12 2 5 0 0 0 3 0 0 0 0 0 -2.7755 26 18 5 3 0 0 0 5 0 3 2 17 688.427 0 0 0 0 0 19 834 0 3 0 2 0 0 1 2 0 1 1 1 0 0 0 2 0 2 4 7 0 0 9 7 8 2 11 8 4 3 0 0 0 0 0 22 0 0 4 0 0 0 22 4 0 0 4 15 2 2 0 0 0 4 0 0 0 0 0 -2.3407 27 21 2 4 0 0 0 2 0 4 3 12 751.051 0 0 0 0 8 33 1020 0 2 0 1 0 0 3 1 1 2 3 2 0 0 0 0 0 1 4 7 0 0 12 8 6 1 13 5 5 4 0 0 0 0 0 20 0 0 7 0 0 0 20 7 0 0 # 16.21 64.33 -0.35 Env_3hmm_6 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 31 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 1 144 0 0 0 0 0 0 0 0 0 1 0 4 0 0 0 0 0 0 0 1 0 0 2 4 0 0 2 0 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 98 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 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 12 0 3 0 0 0 1 0 0 0 0 0 -0.4446 19 15 3 1 0 0 0 3 0 1 0 10 556.555 0 0 0 0 3 17 380 0 0 0 0 0 0 1 0 0 4 4 2 0 0 0 0 0 0 0 8 0 0 16 3 0 0 16 0 2 1 0 0 0 0 0 19 0 0 0 0 0 0 19 0 0 0 4 11 4 4 0 1 0 3 0 0 0 0 0 -3.2056 27 19 5 3 0 0 0 4 1 3 4 16 733.274 1 0 1 1 3 34 581 2 0 0 0 0 0 2 2 0 3 4 1 0 4 0 0 0 5 0 4 0 0 17 3 5 2 22 2 1 2 0 0 0 0 0 25 0 2 0 0 0 0 27 0 0 0 4 11 9 4 0 0 2 6 0 0 0 0 0 -5.3176 36 24 6 6 0 0 0 4 2 6 11 17 884.241 0 0 0 0 3 46 854 2 0 0 0 0 0 2 4 0 0 2 0 0 7 0 1 0 14 0 4 0 0 15 2 15 4 29 5 0 2 0 0 1 0 0 30 0 4 1 0 0 1 34 1 0 0 # 15.75 60.26 5.07 Env_3hmm_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 21 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 0 0 0 1 0 0 0 0 1 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.3149 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 98 0 0 0 0 0 0 0 1 0 1 4 0 0 0 0 0 0 0 0 0 0 0 5 0 0 1 5 1 0 0 0 0 0 0 1 0 0 0 5 0 0 0 1 5 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 -0.6268 3 2 0 1 0 0 0 0 0 1 0 1 78.514 0 0 0 0 1 5 48 0 0 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 0 0 1 0 0 0 2 0 0 0 1 2 0 0 2 6 1 1 0 0 0 2 0 1 0 1 0 -2.2706 14 9 1 3 1 0 1.5 1 0 2 1 7 375.404 0 0 0 0 -1 19 101 0 0 0 0 2 0 0 3 0 6 1 0 0 0 0 0 0 0 2 0 0 0 7 0 4 3 7 7 0 0 0 0 2 0 4 4 0 0 4 0 0 2 8 4 0 0 3 9 2 3 0 0 1 3 1 0 0 0 0 -3.3888 22 14 4 4 0 0 0 3.5 0.5 3.5 4 12 553.84 0.333 0.333 0 0.833 -3 26 410 3 0 2 2 3 0 0 0 3 3 1 0 0 2 0 1 0 0 2 0 0 0 9 2 11 0 9 8 3 2 0 0 2 0 1 11 2 0 6 0 0 2 14 6 0 0 7 12 5 5 0 1 1 3 1 1 0 0 0 -2.3027 36 24 7 5 0 0 1 5.5 1.5 3.5 6 17 928.588 1.666 0.666 1 2.166 0 49 1162 2 0 2 7 1 0 2 0 5 3 4 2 0 2 0 3 0 0 3 0 0 0 11 11 14 0 11 9 7 9 0 0 3 0 1 16 4 0 12 0 0 3 21 12 0 0 # 9.27 71 3.2