# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3odu # POINT_FILE ./pocket_res_ptf/3odu_ITD_A_1500.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_3odu_0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0581 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 26 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 -0.2121 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 143 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 2 0 0 2 0 4 0 2 0 4 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 2 0 0 0 1 2 0 0 0 0 0 -1.7342 5 2 1 2 0 0 0 0.5 0.5 2 3 2 84.225 0 0 0 0.5 -3 8 122 0 0 0 0 0 0 0 0 3 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 3 0 1 0 4 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 4 8 1 4 0 0 1 2 1 0 0 0 0 -0.9318 21 13 5 3 0 0 0 4.5 0.5 2.5 2 12 529.962 0.666 0.666 0 1.166 -3 19 377 2 0 0 3 1 0 0 0 2 1 0 1 0 0 0 0 1 0 3 7 0 0 10 4 7 0 10 5 3 3 0 0 21 0 0 0 0 0 0 0 0 21 0 0 0 0 4 11 2 2 0 0 0 3 1 1 0 0 0 -2.3655 24 17 2 5 0 0 1 2 0 3.5 2 14 643.8 0.333 0.333 0 0.333 -1 20 490 3 1 0 4 1 0 0 0 0 3 1 2 0 0 0 0 3 0 3 3 0 0 10 7 7 0 10 7 3 4 0 0 22 0 0 2 0 0 0 0 0 22 2 0 0 0 2 12 6 4 3 0 1 3 0 0 2 0 0 -5.9413 33 20 8 3 2 0 1 5 3 3 6 12 850.47 0.999 0 0.999 0.999 -1 64 1017 2 5 0 1 4 0 0 0 0 3 1 1 0 2 0 0 5 3 4 2 0 0 10 7 16 0 13 13 6 1 0 0 23 0 0 7 3 0 0 0 0 23 10 0 0 0 # 22.64 -1.81 64.82 Env_3odu_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 71 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 1 0 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.3427 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 360 0 1 0 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 1 0 0 1 1 4 0 0 0 0 0 6 0 0 0 0 0 0 6 0 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 8 233 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 4 0 0 0 0 0 0 4 0 0 0 1 4 4 1 0 0 1 2 0 0 1 0 0 -1.7663 14 9 2 2 1 0 0.5 1.5 0.5 2 5 6 357.859 0 0 0 0.5 -1 24 681 0 4 1 0 4 0 0 0 2 0 0 0 0 3 0 0 0 0 0 0 0 0 3 4 7 0 3 5 6 0 0 0 2 0 0 9 0 0 3 0 0 2 9 3 0 0 3 7 5 2 1 0 1 2 0 0 1 0 0 -2.2441 22 15 4 2 1 0 0.5 3 1 2 6 9 572.17 0.333 0 0.333 0.833 0 34 946 3 3 3 0 1 0 0 0 3 4 0 0 0 5 0 0 0 0 0 0 0 0 12 3 7 0 12 4 6 0 0 0 5 0 0 13 0 0 4 0 0 5 13 4 0 0 2 8 1 3 1 0 0 2 0 0 0 0 0 -1.1725 17 11 4 2 0 0 0 3 1 2 0 10 441.657 0.333 0 0.333 0.333 -3 14 641 2 2 1 0 2 0 0 0 1 1 0 0 0 3 0 2 0 0 0 3 0 0 9 2 6 0 9 5 3 0 0 0 4 0 0 11 0 0 2 0 0 4 11 2 0 0 # 21.18 -2.32 73.23 Env_3odu_2 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0274 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 40 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 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 -0.2096 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 222 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 4 0 0 0 0 2 0 4 0 6 0 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 -1.3167 5 3 0 2 0 0 0 0 0 2 3 2 90.667 0 0 0 0 0 8 172 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 3 0 0 0 0 2 0 3 0 5 0 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 3 7 4 3 0 0 1 2 0 0 0 0 0 -1.8027 20 14 4 2 0 0 0 3 1 2 5 12 521.22 0 0 0 0 0 22 624 3 0 0 3 0 0 0 0 0 0 2 0 0 3 2 0 1 3 2 1 0 0 11 3 6 0 14 3 0 3 0 0 19 0 0 0 1 0 0 0 0 19 1 0 0 0 5 8 7 3 0 0 0 1 1 1 0 0 0 -1.7301 26 20 3 3 0 0 1 3 0 1.5 8 10 668.73 0.666 0.666 0 0.666 6 49 667 4 0 0 3 0 0 0 0 0 0 3 0 0 1 2 0 1 3 6 3 0 0 13 3 10 0 16 7 0 3 0 0 24 0 0 0 1 0 1 0 0 24 1 1 0 0 1 12 8 1 0 0 0 3 1 1 0 0 0 -4.4471 27 21 1 5 0 0 1 1 0 3.5 8 8 727.711 0.333 0.333 0 0.333 9 53 869 1 0 1 2 0 0 0 0 0 0 1 0 0 5 3 0 3 3 1 7 0 0 17 2 8 0 20 5 0 2 0 0 18 0 0 0 3 3 3 0 0 18 6 3 0 0 # 26.45 -11.18 67.66 Env_3odu_3 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0428 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 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 1 0 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.3844 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -3 1 184 0 0 0 1 4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 4 0 1 4 0 1 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 1 0 0 2 0 0 -0.7839 3 0 0 1 2 0 1 0 0 1 0 1 64.536 0 0 0 0 -3 4 53 0 0 0 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 0 1 2 0 0 0 0 1 0 0 2 0 0 0 0 0 1 2 0 0 0 2 9 3 2 0 0 0 2 0 0 0 0 0 -1.7606 18 14 2 2 0 0 0 2 0 2 3 9 487.551 0 0 0 0 3 16 688 0 0 2 4 1 0 0 0 0 4 0 0 0 0 0 0 0 4 0 3 0 0 7 4 7 0 11 3 0 4 0 0 1 0 0 13 0 0 4 0 0 1 13 4 0 0 4 6 7 3 0 0 3 2 1 0 0 0 0 -2.194 26 17 6 3 0 0 0 4 2 2.5 10 10 623.774 0.999 0.999 0 1.999 -1 54 1110 0 1 2 3 1 0 0 0 3 1 0 0 0 2 0 2 0 6 2 3 0 0 6 4 16 0 12 7 4 3 0 0 6 0 0 12 0 0 8 0 0 6 12 8 0 0 4 11 5 2 1 0 0 6 3 0 0 0 0 -6.4463 32 20 3 9 0 0 0 2.5 0.5 7.5 5 15 793.391 1.332 0.999 0.333 1.332 -3 46 1222 4 2 2 4 3 0 0 1 2 1 0 0 0 2 0 3 0 4 2 2 0 0 9 6 16 1 13 11 4 4 0 0 10 0 0 15 0 1 6 0 0 10 16 6 0 0 # 24.8 -3.43 73.89 Env_3odu_4 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 45 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 3 1 0 2 0 0 0 1 0 0 0 0 0 0.3889 7 4 2 1 0 0 0 2 0 1 0 5 160.877 0.333 0.333 0 0.333 -2 3 292 1 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 2 5 0 0 2 0 0 5 0 0 7 0 0 0 0 0 0 0 0 7 0 0 0 0 0 0 0 0 0 0 0 4 2 0 0 0 0 -3.8744 6 0 0 6 0 0 0 0 0 5 0 4 74.25 0.666 0.666 0 0.666 -6 6 256 0 0 1 2 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 0 0 2 2 2 0 3 1 0 2 0 0 5 0 0 0 0 0 1 0 0 5 0 1 0 0 5 7 1 5 1 0 0 1 0 0 0 0 0 -1.0313 20 13 6 1 0 0 0 5.5 0.5 1 1 15 535.249 0.333 0 0.333 0.333 -3 14 660 6 1 3 0 0 0 0 0 0 0 0 0 0 1 0 0 0 4 0 5 0 0 12 1 7 0 16 3 1 0 0 0 13 0 0 0 1 1 5 0 0 13 2 5 0 0 2 10 5 2 1 0 0 2 0 0 0 0 0 -2.2828 22 17 3 2 0 0 0 2.5 0.5 2 4 11 598.532 0.666 0 0.666 0.666 4 33 838 6 2 1 0 0 0 0 0 0 0 0 0 0 3 1 0 0 5 0 4 0 0 14 2 6 0 19 1 2 0 0 0 10 0 0 0 3 4 5 0 0 10 7 5 0 0 3 6 8 2 1 0 0 4 0 0 0 0 0 -3.1029 24 17 3 4 0 0 0 2 1 4 8 7 577.83 0 0 0 0 5 46 1290 2 1 2 0 1 0 0 0 0 0 0 0 0 3 1 0 0 6 5 3 0 0 9 1 14 0 15 8 1 0 0 0 10 0 0 2 1 2 9 0 0 10 5 9 0 0 # 27.74 -10.99 72.42