# EXCLUDED_RESIDUES HETATM # PDBID_LIST 2gtk # POINT_FILE ./pocket_res_ptf/2gtk_208_A_1001.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_2gtk_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 21 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 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 0.0624 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 163 0 1 0 0 0 0 0 0 0 4 0 0 0 1 0 0 0 0 0 0 0 0 5 1 0 0 5 0 1 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 -0.9526 3 2 0 1 0 0 0 0 0 1 0 1 78.514 0 0 0 0 1 4 103 0 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 2 0 1 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 3 6 0 3 0 0 0 3 0 0 0 0 0 -1.4832 15 9 3 3 0 0 0 3 0 3 0 12 378.483 0 0 0 0 -3 5 432 2 3 0 0 0 1 0 2 0 3 0 0 0 3 0 0 0 0 0 1 0 0 9 3 1 2 9 3 3 0 0 0 15 0 0 0 0 0 0 0 0 15 0 0 0 0 3 10 1 3 0 0 0 1 0 0 0 1 0 -1.296 19 14 3 1 1 0 0.5 3 0 1 1 11 536.635 0 0 0 0 1 18 679 2 1 0 0 4 3 0 1 0 2 2 0 1 2 0 0 0 0 0 1 0 0 10 1 7 1 10 8 1 0 0 0 17 0 0 1 0 1 0 0 0 17 2 0 0 0 2 13 3 2 1 0 0 4 0 0 1 0 0 -4.2745 26 18 3 4 1 0 0 2 1 4 3 8 703.563 0 0 0 0 8 46 836 1 2 0 0 1 4 2 1 0 2 5 0 1 3 0 0 0 0 0 4 0 0 16 4 5 1 16 6 2 2 0 0 21 0 0 1 0 2 2 0 0 21 3 2 0 0 # 4.94 25.25 9.94 Env_2gtk_1 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 0 115 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 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 -0.0222 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 621 0 4 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1 4 1 0 1 1 4 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 -0.4804 3 2 0 1 0 0 0 0 0 1 0 1 78.514 0 0 0 0 0 5 373 0 2 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 2 0 0 1 0 2 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 3 5 0 3 1 0 0 3 1 0 0 0 0 -2.4016 16 8 4 4 0 0 0 3 1 3.5 0 11 379.689 0.333 0.333 0 0.333 -6 11 1025 0 1 0 0 2 2 3 1 0 0 0 0 0 3 0 3 0 0 0 1 0 0 4 4 7 1 4 8 1 3 0 0 16 0 0 0 0 0 0 0 0 16 0 0 0 0 4 7 2 3 1 0 0 1 0 1 0 0 0 -0.141 19 13 4 2 0 0 1 3.5 0.5 1 1 12 492.328 0.999 0.333 0.666 0.999 -3 21 939 3 2 0 0 2 2 4 1 0 0 0 0 0 1 0 2 0 0 0 2 0 0 6 6 6 1 6 7 2 4 0 0 19 0 0 0 0 0 0 0 0 19 0 0 0 0 1 6 2 1 1 0 0 3 1 0 0 0 0 -3.96 15 9 2 4 0 0 0 1.5 0.5 3.5 2 6 374.797 0.666 0.333 0.333 0.666 0 23 783 1 1 0 0 1 2 2 1 0 0 0 0 0 2 0 0 0 0 0 5 0 0 8 3 3 1 8 4 1 2 0 0 15 0 0 0 0 0 0 0 0 15 0 0 0 0 # 1.41 19.58 18.58 Env_2gtk_2 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0031 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 1 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 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 -0.2082 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 274 0 0 0 0 1 4 0 0 0 0 0 0 0 1 0 0 0 0 0 0 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 1 0 0 0 0 0 2 0 0 0 0 0 -1.2002 3 1 0 2 0 0 0 0 0 2 0 2 56.498 0 0 0 0 -1 2 148 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 3 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 4 8 0 5 0 0 0 3 0 0 0 0 0 -2.4758 20 12 5 3 0 0 0 5 0 3 0 12 504.648 0 0 0 0 -5 19 1037 0 1 0 0 3 4 0 2 0 0 1 0 0 4 0 3 0 0 0 2 0 0 7 1 10 2 7 12 1 0 0 0 20 0 0 0 0 0 0 0 0 20 0 0 0 0 3 9 3 2 0 0 0 1 0 1 0 1 0 -0.8241 20 15 2 2 1 0 1.5 2 0 1 3 10 559.187 0 0 0 0 3 20 1336 0 3 0 0 1 2 0 2 1 0 2 0 0 5 0 2 0 0 0 2 0 0 9 3 6 2 9 7 4 0 0 0 19 0 0 0 0 0 1 0 0 19 0 1 0 0 3 9 6 2 0 0 1 3 0 0 0 0 0 -2.8609 24 18 3 3 0 0 0 2.5 0.5 3 7 11 626.255 0 0 0 0.5 4 34 1369 0 2 0 0 0 2 1 0 5 2 4 0 0 5 0 1 0 0 0 2 0 0 13 3 8 0 13 3 7 1 0 0 16 0 0 0 0 0 8 0 0 16 0 8 0 0 # -1.31 23.33 15.83 Env_2gtk_3 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 39 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 1 0 0 0 0 0 0 0 0 1 0 0 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 0 249 0 0 0 0 1 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 0 5 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 -1.7251 3 0 0 3 0 0 0 0 0 3 0 3 34.482 0 0 0 0 -3 0 147 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 4 5 1 3 0 0 0 1 0 0 0 0 0 0.4173 14 10 3 1 0 0 0 3 0 1 1 11 382.016 0 0 0 0 -2 5 837 0 1 0 0 3 4 0 0 0 2 0 0 0 4 0 0 0 0 0 0 0 0 6 1 7 0 6 7 1 0 0 0 14 0 0 0 0 0 0 0 0 14 0 0 0 0 1 8 2 3 0 0 0 2 0 0 0 1 0 -2.6261 17 11 3 2 1 0 0.5 3 0 2 2 10 440.61 0 0 0 0 0 14 1069 0 2 0 0 2 5 0 0 0 2 0 0 0 6 0 0 0 0 0 0 0 0 8 2 7 0 8 7 2 0 0 0 17 0 0 0 0 0 0 0 0 17 0 0 0 0 4 7 3 2 0 0 0 2 0 0 0 0 0 -0.8154 18 14 2 2 0 0 0 2 0 2 3 5 483.865 0 0 0 0 5 34 1184 0 4 0 0 0 5 0 0 0 4 0 0 0 5 0 0 0 0 0 0 0 0 9 4 5 0 9 5 4 0 0 0 18 0 0 0 0 0 0 0 0 18 0 0 0 0 # 2.18 21.81 12.11 Env_2gtk_4 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 18 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 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 -0.2389 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 158 0 0 0 0 0 1 0 0 0 1 0 0 0 4 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 0 3 0 0 0 0 2 0 0 0 0 0 -1.375 5 3 0 2 0 0 0 0 0 2 3 2 96.609 0 0 0 0 1 8 76 0 0 0 0 0 0 0 0 0 2 0 0 0 3 0 0 0 0 0 0 0 0 5 0 0 0 5 0 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 4 7 2 3 0 0 0 2 0 0 0 1 0 -0.9698 19 13 3 2 1 0 0.5 3 0 2 2 12 513.572 0 0 0 0 -1 15 687 2 2 0 0 3 3 0 1 0 6 0 0 0 2 0 0 0 0 0 0 0 0 10 2 6 1 10 7 2 0 0 0 19 0 0 0 0 0 0 0 0 19 0 0 0 0 3 7 5 4 0 0 0 1 0 0 0 0 0 -1.9026 20 15 4 1 0 0 0 4 0 1 5 10 533.108 0 0 0 0 3 32 614 1 2 0 0 2 6 0 2 0 2 0 0 0 5 0 0 0 0 0 0 0 0 8 2 8 2 8 10 2 0 0 2 16 0 0 0 0 2 0 0 0 18 2 0 0 0 2 12 5 1 0 0 0 5 0 0 0 0 0 -3.4145 25 19 1 5 0 0 0 1 0 5 5 6 648.537 0 0 0 0 10 50 504 2 1 0 0 1 5 0 1 0 5 1 0 1 6 0 0 0 0 0 2 0 0 17 1 6 1 17 7 1 0 0 4 17 0 0 0 0 4 0 0 0 21 4 0 0 0 # 1.98 27.13 11.53 Env_2gtk_5 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 18 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 2 1 0 2 0 0 0 1 0 1 0 0 0 -0.5108 7 3 2 2 0 0 1 2 0 1 0 5 157.455 0 0 0 0 -4 3 217 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 1 0 0 1 1 5 0 1 5 1 0 0 0 7 0 0 0 0 0 0 0 0 7 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 -1.7251 3 0 0 3 0 0 0 0 0 3 0 3 34.482 0 0 0 0 -3 0 198 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 2 1 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 4 7 0 3 0 0 0 1 0 0 0 0 0 -0.0231 15 11 3 1 0 0 0 3 0 1 0 11 422.515 0 0 0 0 0 7 975 2 4 0 0 1 2 1 0 0 1 0 0 0 2 0 0 0 0 0 2 0 0 7 5 3 0 7 3 4 1 0 0 15 0 0 0 0 0 0 0 0 15 0 0 0 0 2 18 0 3 1 0 1 1 0 0 0 0 0 -2.579 26 20 5 1 0 0 0 3.5 1.5 1 1 11 765.263 0 0 0 0.5 6 33 951 2 2 0 0 1 2 3 0 1 2 3 0 0 2 0 0 0 0 0 8 0 0 17 5 4 0 17 3 3 3 0 0 26 0 0 0 0 0 0 0 0 26 0 0 0 0 2 6 3 2 2 0 0 3 1 0 0 0 0 -3.3359 19 11 4 4 0 0 0 3 1 3.5 2 7 467.452 1.332 0.333 0.999 1.332 -3 36 1055 1 3 0 0 2 2 3 2 2 1 1 0 0 1 0 0 0 0 0 1 0 0 5 6 6 2 5 6 5 3 0 0 19 0 0 0 0 0 0 0 0 19 0 0 0 0 # -0.44 22.38 20.38 Env_2gtk_6 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 67 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 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 -0.3277 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -3 1 323 0 0 0 0 4 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 1 0 6 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 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 2 106 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 4 4 0 3 0 0 0 3 0 0 0 0 0 -0.5264 14 8 3 3 0 0 0 3 0 3 0 12 344.973 0 0 0 0 -4 2 707 0 2 0 0 0 5 0 2 0 2 0 0 0 3 0 0 0 0 0 0 0 0 5 2 5 2 5 7 2 0 0 0 14 0 0 0 0 0 0 0 0 14 0 0 0 0 2 10 0 3 0 0 0 1 0 0 0 0 0 -0.6876 16 12 3 1 0 0 0 3 0 1 0 12 456.025 0 0 0 0 -1 6 1047 0 3 0 0 0 4 0 0 0 1 0 0 0 5 0 3 0 0 0 0 0 0 6 3 7 0 6 7 3 0 0 0 16 0 0 0 0 0 0 0 0 16 0 0 0 0 3 6 4 3 0 0 0 4 0 1 0 0 0 -3.5738 21 13 3 5 0 0 1 3 0 4 4 7 498.695 0 0 0 0 1 34 1064 0 4 0 0 0 4 0 0 0 3 1 0 0 6 0 2 0 0 0 1 0 0 11 4 6 0 11 6 4 0 0 0 21 0 0 0 0 0 0 0 0 21 0 0 0 0 # 2.46 23.78 15.38 Env_2gtk_7 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 27 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 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 -0.2712 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 159 0 0 0 0 0 0 1 0 0 0 0 0 4 1 0 0 0 0 0 0 0 0 5 1 0 0 5 0 0 1 0 0 1 0 0 0 0 5 0 0 0 1 5 0 0 0 0 2 0 0 0 0 0 1 0 0 1 0 0 -0.8933 4 2 0 1 1 0 0 0 0 1 0 1 105.035 0 0 0 0 2 9 97 0 0 0 0 0 0 0 0 0 0 0 0 3 1 0 0 0 0 0 0 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 0 2 8 2 3 0 1 0 1 0 0 0 0 0 -1.1684 17 12 4 1 0 0 0 3 1 1 2 8 475.557 1 0 1 1 4 21 357 0 0 0 2 0 0 3 0 0 0 0 5 0 5 2 0 0 0 0 0 0 0 7 10 0 0 7 0 5 5 0 2 12 0 0 0 0 3 0 0 0 14 3 0 0 0 3 12 4 1 0 0 0 3 1 0 0 0 0 -2.1397 24 19 1 4 0 0 0 1 0 3.5 4 10 659.606 0.333 0.333 0 0.333 6 37 333 0 0 0 1 0 0 2 2 0 0 4 3 1 7 4 0 0 0 0 0 0 0 16 6 0 2 16 2 3 3 0 4 17 0 0 1 0 2 0 0 0 21 3 0 0 0 3 8 5 2 0 0 1 4 0 0 1 0 0 -3.3118 24 16 3 4 1 0 0 2.5 0.5 4 6 11 603.192 0.333 0.333 0 0.833 3 38 594 0 2 0 2 0 0 2 1 2 0 5 2 1 6 1 0 0 0 0 0 0 0 13 8 2 1 13 1 6 4 0 4 17 0 0 1 0 2 0 0 0 21 3 0 0 0 # 8.31 32.18 17.96