# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3d0e # POINT_FILE ./pocket_res_ptf/3d0e_G93_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_3d0e_0 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 14 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 70 0 0 0 0 0 0 0 0 0 1 0 4 1 0 0 0 0 0 0 0 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 -1.1386 3 1 0 2 0 0 0 0 0 2 0 2 56.498 0 0 0 0 -1 2 35 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 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 14 0 3 0 0 0 1 0 0 0 0 0 -0.4117 21 17 3 1 0 0 0 3 0 1 0 11 623.575 0 0 0 0 6 19 301 0 0 0 0 0 0 0 0 0 4 0 2 5 5 0 0 0 0 0 5 0 0 19 2 0 0 19 0 2 0 0 0 0 0 0 21 0 0 0 0 0 0 21 0 0 0 3 7 4 4 0 0 0 3 0 0 2 0 0 -3.1863 23 14 4 3 2 0 0 4 0 3 4 12 579.314 0 0 0 0 2 33 293 2 0 0 0 2 0 0 0 0 4 4 3 2 4 0 0 0 0 0 2 0 0 18 3 2 0 18 2 3 0 0 0 0 0 0 22 0 1 0 0 0 0 23 0 0 0 4 16 4 2 0 1 0 3 0 0 0 1 0 -2.2475 31 24 3 3 1 0 0.5 2 1 3 4 14 899.071 1 0 1 1 9 42 436 2 0 0 0 4 0 0 2 0 5 4 3 4 4 0 0 0 0 0 3 0 0 22 3 4 2 22 6 3 0 0 0 0 0 0 27 0 2 2 0 0 0 29 2 0 0 # 29.17 -18.02 7.4 Env_3d0e_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 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 1 0 2 0 0 0 1 0 0 0 0 0 0.2306 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 157 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 4 0 0 5 1 0 0 5 0 1 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 -1.7956 4 2 0 2 0 0 0 0 0 2 0 2 90.008 0 0 0 0 0 4 87 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 2 0 0 3 1 0 0 3 0 1 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 3 7 0 4 0 0 0 2 0 0 0 0 0 -1.3141 16 10 4 2 0 0 0 4 0 2 0 12 414.636 0 0 0 0 -2 6 188 0 0 0 0 0 0 0 3 0 6 0 6 1 0 0 0 0 0 0 0 0 0 7 6 0 3 7 3 6 0 0 0 0 0 0 16 0 0 0 0 0 0 16 0 0 0 5 17 2 4 0 0 0 1 0 0 0 0 0 -0.5444 29 24 4 1 0 0 0 4 0 1 2 14 858.304 0 0 0 0 10 34 502 2 0 0 0 0 0 0 3 0 5 9 5 3 2 0 0 0 0 0 0 0 0 21 5 0 3 21 3 5 0 0 0 0 0 0 25 0 2 2 0 0 0 27 2 0 0 3 16 2 1 0 0 0 7 0 0 0 0 0 -3.353 29 21 1 7 0 0 0 1 0 7 2 16 784.327 0 0 0 0 1 36 901 2 0 0 0 0 0 0 1 0 3 8 10 2 3 0 0 0 0 0 0 0 0 18 10 0 1 18 1 10 0 0 0 0 0 0 26 0 2 1 0 0 0 28 1 0 0 # 27.95 -19.75 11.09 Env_3d0e_2 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 55 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 1 242 0 0 0 4 0 0 0 0 0 0 0 0 0 1 0 0 1 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 8 184 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 4 2 2 0 1 0 0 1 2 0 0 0 -2.4958 13 7 3 3 0 0 2 2 1 0.5 2 5 324.885 1.333 0.333 1 1.333 -1 24 126 0 0 0 0 0 0 1 1 0 0 0 1 0 5 0 0 4 0 1 0 0 0 5 2 5 1 5 6 1 1 0 0 1 0 0 1 1 0 10 0 0 1 2 10 0 0 4 7 4 1 0 0 0 3 2 0 0 0 0 -2.9739 21 15 1 5 0 0 0 1 0 4 5 5 523.086 0.999 0.999 0 0.999 1 51 138 0 0 5 1 0 0 3 1 0 2 0 2 0 4 0 0 1 0 2 0 0 0 6 6 8 1 6 9 2 4 0 5 3 0 0 4 1 0 8 0 0 8 5 8 0 0 3 9 3 2 0 0 0 2 0 1 1 0 0 -2.1959 21 15 2 3 1 0 1 2 0 2 3 7 563.692 0.333 0.333 0 0.333 6 32 194 0 0 3 3 0 0 1 1 0 3 3 1 1 1 0 0 2 0 2 0 0 0 8 5 7 1 8 8 1 4 0 3 3 0 0 5 2 0 8 0 0 6 7 8 0 0 # 21.01 -18.66 2.95 Env_3d0e_3 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 25 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 1 0 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.1705 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 101 0 0 0 0 0 0 0 0 0 0 2 0 4 0 0 0 0 0 0 0 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 1 0 0 0 0 0 3 0 0 0 0 0 -1.7234 4 1 0 3 0 0 0 0 0 3 0 3 67.992 0 0 0 0 -2 2 45 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 2 1 0 1 2 1 1 0 0 0 0 0 0 3 0 0 1 0 0 0 3 1 0 0 5 8 0 4 0 0 0 1 0 0 1 0 0 0.358 19 13 4 1 1 0 0 4 0 1 0 13 530.193 0 0 0 0 1 12 255 1 0 1 0 0 0 3 1 0 0 9 2 2 0 0 0 0 0 0 0 0 0 12 5 1 1 12 2 2 3 0 1 1 0 3 12 0 0 2 0 0 2 15 2 0 0 2 20 0 4 0 0 0 7 0 1 0 0 0 -6.4808 34 22 4 8 0 0 1 4 0 7 0 20 891.383 0 0 0 0 0 28 418 2 0 2 1 0 0 4 4 1 6 8 2 0 0 0 0 4 0 0 0 0 0 16 7 7 4 16 10 3 5 0 4 4 0 3 11 2 0 10 0 0 8 16 10 0 0 7 12 1 5 0 0 1 2 0 1 0 0 0 -1.2521 29 20 6 3 0 0 1 5.5 0.5 2 2 17 781.689 0.333 0.333 0 0.833 -1 28 448 2 0 2 1 0 0 3 2 3 7 5 1 0 1 0 0 2 0 0 0 0 0 15 5 7 2 15 6 4 4 0 5 5 0 1 10 2 0 6 0 0 10 13 6 0 0 # 14.96 -15.51 10.52 Env_3d0e_4 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 19 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 0 0 0 1 0 0 0 0 1 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 3 150 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 5 0 0 0 0 0 1 1 5 0 1 5 0 1 0 0 0 0 0 1 0 0 6 0 0 0 1 6 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.8116 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 2 19 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 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 3 6 2 1 0 0 0 3 0 2 0 0 0 -1.6934 17 11 1 5 0 0 2 1 0 3 2 9 437.565 0 0 0 0 -1 20 293 0 0 2 4 0 0 0 0 0 4 0 2 0 2 0 0 2 0 1 0 0 0 6 6 5 0 6 5 2 4 0 2 0 0 0 6 0 0 9 0 0 2 6 9 0 0 3 7 4 5 0 0 0 1 0 0 1 0 0 -2.6289 21 14 5 1 1 0 0 5 0 1 5 7 515.441 0.333 0.333 0 0.333 3 40 202 0 0 5 1 0 0 0 0 0 1 1 0 3 5 0 0 3 0 2 0 0 0 10 1 10 0 10 10 0 1 0 5 0 0 0 5 0 0 11 0 0 5 5 11 0 0 4 11 3 2 0 0 0 3 3 0 1 0 0 -4.6629 27 18 2 6 1 0 0 2 0 4.5 3 13 713.901 0.999 0.999 0 0.999 3 37 531 0 0 1 2 0 0 3 0 0 1 6 3 4 3 0 0 2 0 2 0 0 0 14 8 5 0 14 5 3 5 0 3 2 0 3 10 1 0 8 0 0 5 14 8 0 0 # 18.93 -16.09 4.86 Env_3d0e_5 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 30 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 1 0 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.2712 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 198 0 0 0 0 0 0 1 0 0 0 0 0 4 0 0 0 0 0 0 1 0 0 5 1 0 0 5 0 0 1 0 0 0 0 0 5 0 0 1 0 0 0 5 1 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 74 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 3 0 0 0 3 0 0 0 0 0 0 0 0 2 0 0 1 0 0 0 2 1 0 0 4 11 1 4 0 0 0 2 0 0 1 0 0 -1.6784 23 16 4 2 1 0 0 4 0 2 1 13 635.228 0 0 0 0 4 21 610 4 0 0 0 0 0 4 0 0 0 4 2 2 0 0 0 1 0 2 4 0 0 14 6 3 0 14 3 2 4 0 0 0 0 0 17 0 0 6 0 0 0 17 6 0 0 3 12 2 4 0 0 0 3 0 0 0 0 0 -2.1097 24 17 4 3 0 0 0 4 0 3 2 15 640.78 0 0 0 0 2 17 500 4 0 0 0 0 0 1 0 0 0 3 3 1 4 0 0 0 0 7 1 0 0 13 4 7 0 13 7 3 1 0 0 0 0 0 20 0 0 4 0 0 0 20 4 0 0 6 11 3 3 0 0 0 4 1 1 0 0 0 -2.5979 29 20 3 6 0 0 1 3 0 4.5 4 15 737.11 0.666 0.666 0 0.666 0 36 636 1 0 0 0 0 0 2 0 0 0 2 3 3 2 0 0 5 0 11 0 0 0 8 5 16 0 8 16 3 2 0 0 1 0 0 17 0 0 11 0 0 1 17 11 0 0 # 26.3 -10.47 7.12