# EXCLUDED_RESIDUES HETATM # PDBID_LIST 2que # POINT_FILE 2que_ANN.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_2que_0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.1102 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 87 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 1 4 0 1 0 0 0 0 0 0 0 0 0 -0.3411 6 5 1 0 0 0 0 1 0 0 0 3 181.687 0 0 0 0 2 8 522 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 -0.3863 3 1 1 1 0 0 0 1 0 1 0 3 59.141 0 0 0 0 -2 0 203 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 1 0 0 0 0 0 0 2 0 1 0 2 1 0 0 0 0 2 0 0 0 0 0 1 0 0 2 0 1 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 -1.2339 4 2 0 2 0 0 0 0 0 2 0 4 90.008 0 0 0 0 -2 0 269 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 2 0 0 0 0 0 0 1 1 2 0 1 2 1 0 0 0 1 0 0 0 1 0 2 0 0 1 1 2 0 0 2 9 1 4 0 0 0 2 0 1 0 0 0 -2.5793 19 12 4 3 0 0 1 4 0 2 1 10 491.824 0 0 0 0 0 16 1299 0 0 0 0 0 0 1 1 0 0 5 4 0 4 1 3 0 0 0 0 0 0 10 5 3 1 10 4 4 1 0 0 11 0 0 0 5 0 3 0 0 11 5 3 0 0 3 7 2 2 0 0 0 0 1 1 0 0 0 -1.1256 16 12 2 2 0 0 1 2 0 0.5 2 8 441.768 0.333 0.333 0 0.333 0 29 1061 0 0 0 0 0 0 3 1 0 1 1 3 0 3 1 2 0 0 1 0 0 0 6 6 3 1 6 4 3 3 0 0 10 0 0 0 6 0 0 0 0 10 6 0 0 0 # 9.541 17.903 6.958 # 2que_A_347_ANN_2_L_1_A Env_2que_1 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.1825 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 24 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0.2153 3 2 1 0 0 0 0 1 0 0 0 3 81.157 0 0 0 0 -1 0 72 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 -0.9835 2 0 1 1 0 0 0 1 0 1 0 2 25.631 0 0 0 0 -2 0 151 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 2 8 0 1 0 0 0 2 0 0 0 0 0 -0.6623 13 10 1 2 0 0 0 1 0 2 0 8 372.225 0 0 0 0 2 9 776 0 0 0 0 0 0 0 4 0 6 3 0 0 0 0 0 0 0 0 0 0 0 9 0 0 4 9 4 0 0 0 0 10 0 0 0 0 0 3 0 0 10 0 3 0 0 3 6 3 4 0 0 0 5 0 0 0 0 0 -3.0049 21 12 4 5 0 0 0 4 0 5 3 13 489.229 0 0 0 0 -2 16 1108 0 0 0 0 0 0 0 0 0 4 3 2 0 3 0 2 0 0 7 0 0 0 10 2 9 0 10 9 2 0 0 0 9 0 0 0 0 10 2 0 0 9 10 2 0 0 5 15 7 4 0 0 0 1 0 1 0 0 0 -1.3956 33 27 4 2 0 0 1 4 0 1 7 17 935.104 0 0 0 0 8 42 1541 0 0 0 0 0 0 0 0 0 5 8 2 0 7 3 6 0 0 2 0 0 0 23 2 8 0 23 8 2 0 0 0 26 0 0 0 0 5 2 0 0 26 5 2 0 0 # 7.255 23.849 2.933 # 2que_A_347_ANN_18_A_1_A Env_2que_2 0 1 0 0 0 0 0 0 0 0 0 0 0 0.1303 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 127 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 0 3 0 1 0 0 0 0 0 0 0 0 0 -0.8386 4 3 1 0 0 0 0 1 0 0 0 2 114.667 0 0 0 0 1 4 508 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 2 1 0 1 0 0 0 1 0 0 0 0 0 0.3059 5 3 1 1 0 0 0 1 0 1 0 4 126.161 0 0 0 0 -1 3 477 1 0 0 0 0 0 0 0 0 3 0 0 0 0 1 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 0 6 0 0 0 0 0 1 0 1 0 0 0 -1.1739 8 6 0 2 0 0 1 0 0 1 0 3 229.711 0 0 0 0 0 6 376 3 0 0 0 0 0 0 0 0 0 0 0 0 0 3 2 0 0 0 0 0 0 6 0 2 0 6 2 0 0 0 0 6 0 0 0 0 2 0 0 0 6 2 0 0 0 2 4 0 3 0 0 0 2 0 0 0 0 0 -1.3708 11 6 3 2 0 0 0 3 0 2 0 9 266.459 0 0 0 0 -3 3 772 1 0 0 0 0 0 0 0 0 0 4 0 0 0 3 3 0 0 0 0 0 0 8 0 3 0 8 3 0 0 0 0 5 0 0 0 0 2 4 0 0 5 2 4 0 0 3 6 0 3 0 0 0 2 0 0 0 0 0 -0.8764 14 9 3 2 0 0 0 3 0 2 0 10 366.989 0 0 0 0 -2 9 669 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 6 0 0 4 0 0 0 4 0 10 0 4 10 0 0 0 0 3 0 0 1 0 6 4 0 0 3 7 4 0 0 # 7.545 26.987 6.703 # 2que_A_347_ANN_19_I_1_A Env_2que_3 0 0 0 0 0 0 0 0 0 1 0 0 0 -0.6546 1 0 0 1 0 0 1 0 0 0 0 0 17.157 0 0 0 0 -1 2 44 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 0 0 1 0 0 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0.1868 2 2 0 0 0 0 0 0 0 0 0 1 67.02 0 0 0 0 0 1 88 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 1 2 0 2 0 0 0 0 0 0 0 0 0 -0.3202 5 3 2 0 0 0 0 2 0 0 0 5 128.804 0 0 0 0 -2 0 324 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 3 0 0 0 0 0 0 2 0 3 0 2 3 0 0 0 0 2 0 0 1 0 2 0 0 0 2 3 0 0 0 4 7 0 4 0 0 0 4 0 1 0 0 0 -2.1725 20 11 4 5 0 0 1 4 0 4 0 13 488.291 0 0 0 0 -4 12 1318 2 0 0 0 0 0 0 0 0 6 0 0 0 0 4 5 0 0 3 0 0 0 12 0 8 0 12 8 0 0 0 0 13 0 0 3 0 4 0 0 0 13 7 0 0 0 2 6 0 1 0 0 0 3 0 0 0 0 0 -0.8946 12 8 1 3 0 0 0 1 0 3 0 9 316.699 0 0 0 0 -2 4 429 1 0 0 0 1 0 0 0 0 1 0 0 0 0 2 4 0 0 3 0 0 0 4 0 8 0 4 8 0 0 0 0 7 0 0 3 0 2 0 0 0 7 5 0 0 0 2 6 1 2 0 0 0 2 0 0 0 0 0 -1.1981 13 9 2 2 0 0 0 2 0 2 1 8 339.921 0 0 0 0 0 8 572 2 0 0 0 1 0 0 2 0 0 3 0 0 0 0 2 0 0 3 0 0 0 5 0 6 2 5 8 0 0 0 0 3 0 0 6 1 1 2 0 0 3 8 2 0 0 # 3.672 26.79 7.381 # 2que_A_347_ANN_23_S_1_A Env_2que_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 43 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 1 0 0 0 0 0 0 1 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 0 392 0 0 0 0 1 0 0 3 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 2 3 1 4 0 0 0 0 0 0 0 4 0 1 0 0 0 0 5 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 50 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 1 0 1 0 0 0 0 2 0 0 0 3 5 0 3 0 0 0 2 0 0 0 0 0 -0.6844 13 8 3 2 0 0 0 3 0 2 0 11 333.479 0 0 0 0 -4 2 972 0 0 0 0 3 0 0 1 0 0 0 0 0 0 0 3 0 3 3 0 0 0 0 0 12 1 3 10 0 0 0 0 0 0 0 4 2 6 1 0 0 0 12 1 0 0 3 4 1 2 0 0 0 3 0 0 0 0 0 -0.7244 13 8 2 3 0 0 0 2 0 3 1 11 317.905 0 0 0 0 -4 3 777 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 4 0 2 4 0 0 0 0 0 10 3 2 11 0 0 0 0 0 0 0 4 1 5 3 0 0 0 10 3 0 0 3 7 2 2 0 0 0 3 2 2 2 0 0 -3.6242 23 12 2 7 2 0 3 2 0 4 2 9 547.655 0.999 0.999 0 0.999 -7 27 978 0 0 0 3 5 0 0 2 0 0 0 0 0 0 0 4 0 2 7 0 0 0 0 3 18 2 2 18 0 3 0 0 5 0 0 7 5 5 1 0 0 5 17 1 0 0 # -0.238 21.668 8.039 # 2que_A_347_ANN_30_G_1_A Env_2que_5 0 0 0 0 0 0 1 0 0 0 0 0 0 -0.3418 1 0 1 0 0 0 0 0 1 0 1 0 20.579 0 0 0 0 -1 4 257 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 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 -0.043 4 4 0 0 0 0 0 0 0 0 4 0 88.258 0 0 0 0 2 12 1028 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 4 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 -0.617 4 4 0 0 0 0 0 0 0 0 3 0 113.073 0 0 0 0 4 16 1028 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 4 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 -0.2246 2 2 0 0 0 0 0 0 0 0 1 1 60.031 0 0 0 0 1 5 514 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 -0.3863 3 1 1 1 0 0 0 1 0 1 0 3 59.141 0 0 0 0 -2 0 771 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 3 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 -0.3863 3 1 1 1 0 0 0 1 0 1 0 3 59.141 0 0 0 0 -2 0 111 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 3 0 0 0 0 0 0 0 2 0 0 1 0 0 0 2 1 0 0 # 0.011 20.482 15.802 # 2que_A_347_ANN_31_W_1_A Env_2que_6 0 0 0 0 0 1 0 0 0 0 0 0 0 -0.3853 1 0 1 0 0 0 0 0 1 0 0 0 33.51 1 0 1 1 1 5 148 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 0 1 0 0 0 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.062 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 0 7 296 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 2 0 0 0 0 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0186 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 148 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 0 1 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0093 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 148 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 0 1 0 0 0 0 0 1 0 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 -0.9998 3 2 1 0 0 0 0 1 0 0 0 2 81.157 0 0 0 0 0 3 383 0 0 0 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 1 2 0 0 1 0 2 0 0 0 1 0 0 0 2 0 0 0 0 1 2 0 0 0 3 5 2 0 0 0 0 1 0 0 0 0 0 0.8543 11 10 0 1 0 0 0 0 0 1 2 5 332.616 0 0 0 0 4 14 785 0 0 0 0 0 0 0 2 0 0 2 1 0 0 3 0 0 1 2 0 0 0 5 1 3 2 6 4 1 0 0 0 4 0 0 2 4 1 0 0 0 4 7 0 0 0 # 3.181 15.01 11.228 # 2que_A_347_ANN_69_K_1_A