# EXCLUDED_RESIDUES HETATM # PDBID_LIST 2pws # POINT_FILE 2pws_IBP.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_2pws_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 1 101 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 3 0 1 0 0 0 0 0 0 0 0 0 0.0709 5 4 1 0 0 0 0 1 0 0 0 3 148.177 0 0 0 0 1 5 505 0 0 0 0 0 0 0 0 0 0 5 0 0 0 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 1 1 0 1 0 0 0 1 0 0 0 0 0 -0.7983 4 2 1 1 0 0 0 1 0 1 0 3 92.651 0 0 0 0 -1 3 310 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 3 0 1 0 3 1 0 0 0 0 3 0 0 0 0 0 1 0 0 3 0 1 0 0 1 4 0 0 0 0 0 2 0 1 0 0 0 -1.1827 8 5 0 3 0 0 1 0 0 2 0 6 207.695 0 0 0 0 -3 3 564 0 0 0 0 0 0 0 0 0 0 1 3 0 0 0 4 0 0 0 0 0 0 1 3 4 0 1 4 3 0 0 0 1 0 0 0 3 0 4 0 0 1 3 4 0 0 1 7 0 5 0 0 0 2 0 0 0 0 0 -2.9206 15 8 5 2 0 0 0 5 0 2 0 9 361.753 0 0 0 0 -1 10 1051 0 0 0 0 0 0 1 1 0 0 5 2 0 3 1 2 0 0 0 0 0 0 9 3 2 1 9 3 2 1 0 0 10 0 0 0 4 0 1 0 0 10 4 1 0 0 5 6 2 1 0 0 0 0 2 1 0 0 0 0.0721 17 13 1 3 0 0 1 1 0 1 2 8 462.347 0.999 0.999 0 0.999 1 28 849 0 0 0 1 0 0 5 1 0 0 1 2 0 3 1 2 0 0 1 0 0 0 5 8 3 1 5 4 2 6 0 0 12 0 0 0 5 0 0 0 0 12 5 0 0 0 # -16.795 9.058 -7.032 # 2pws_A_3960_IBP_2_L_1_A Env_2pws_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 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 0 255 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 2 0 0 0 0 0 1 0 0 2 0 1 0 0 1 7 0 1 0 0 0 2 0 0 0 0 0 -1.3898 11 8 1 2 0 0 0 1 0 2 0 7 305.205 0 0 0 0 1 8 556 0 0 0 0 0 0 0 4 0 5 2 0 0 0 0 0 0 0 0 0 0 0 7 0 0 4 7 4 0 0 0 0 9 0 0 0 0 0 2 0 0 9 0 2 0 0 4 8 2 7 0 0 0 4 0 0 0 0 0 -2.5928 25 14 7 4 0 0 0 7 0 4 2 17 594.155 0 0 0 0 -4 14 1334 0 0 0 0 0 0 0 0 0 6 3 3 0 2 1 3 0 0 7 0 0 0 12 3 10 0 12 10 3 0 0 0 12 0 0 0 0 9 4 0 0 12 9 4 0 0 4 17 9 1 0 0 0 2 0 1 0 0 0 -2.0777 34 30 1 3 0 0 1 1 0 2 9 14 990.739 0 0 0 0 13 51 1735 0 0 0 0 0 0 0 0 0 4 8 3 0 9 3 5 0 0 2 0 0 0 24 3 7 0 24 7 3 0 0 0 26 0 0 0 0 4 4 0 0 26 4 4 0 0 # -19.251 2.709 -2.789 # 2pws_A_3960_IBP_18_A_1_A Env_2pws_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 1 123 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 1 4 0 1 0 0 0 0 0 0 0 0 0 -0.3073 6 5 1 0 0 0 0 1 0 0 0 3 181.687 0 0 0 0 2 7 738 0 0 0 0 0 0 0 0 0 6 0 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 -0.2254 3 1 1 1 0 0 0 1 0 1 0 3 59.141 0 0 0 0 -2 0 213 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 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 5 0 0 0 0 0 1 0 1 0 0 0 -0.9914 7 5 0 2 0 0 1 0 0 1 0 3 196.201 0 0 0 0 -1 5 338 2 0 0 0 0 0 0 0 0 0 0 0 0 0 3 2 0 0 0 0 0 0 5 0 2 0 5 2 0 0 0 0 5 0 0 0 0 2 0 0 0 5 2 0 0 0 2 4 0 3 0 0 0 2 0 0 0 0 0 -1.5015 11 6 3 2 0 0 0 3 0 2 0 8 266.459 0 0 0 0 -2 4 683 2 0 0 0 0 0 0 0 0 0 3 0 0 0 3 3 0 0 0 0 0 0 8 0 3 0 8 3 0 0 0 0 6 0 0 0 0 2 3 0 0 6 2 3 0 0 3 6 0 2 0 0 0 2 0 0 0 0 0 -0.7243 13 9 2 2 0 0 0 2 0 2 0 10 352.852 0 0 0 0 -1 8 643 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 5 0 0 4 0 0 0 4 0 9 0 4 9 0 0 0 0 3 0 0 0 0 7 3 0 0 3 7 3 0 0 # -18.952 -0.269 -6.963 # 2pws_A_3960_IBP_19_I_1_A Env_2pws_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 46 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 92 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 1 0 0 0 0 0 -0.8881 6 3 2 1 0 0 0 2 0 1 0 6 140.298 0 0 0 0 -3 0 363 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 4 0 0 0 0 0 0 2 0 4 0 2 4 0 0 0 0 2 0 0 0 0 4 0 0 0 2 4 0 0 0 4 7 0 4 0 0 0 3 0 1 0 0 0 -1.6046 19 11 4 4 0 0 1 4 0 3 0 12 476.797 0 0 0 0 -3 12 1215 2 0 0 0 0 0 0 0 0 6 0 0 0 0 4 4 0 0 3 0 0 0 12 0 7 0 12 7 0 0 0 0 13 0 0 0 0 6 0 0 0 13 6 0 0 0 2 6 0 1 0 0 0 2 0 0 0 0 0 -0.3267 11 8 1 2 0 0 0 1 0 2 0 8 305.205 0 0 0 0 -1 4 402 1 0 0 0 0 0 0 0 0 1 0 0 0 0 2 4 0 0 3 0 0 0 4 0 7 0 4 7 0 0 0 0 7 0 0 0 0 3 1 0 0 7 3 1 0 0 3 6 1 2 0 0 0 3 0 0 0 0 0 -1.1688 15 10 2 3 0 0 0 2 0 3 1 10 384.925 0 0 0 0 -1 8 630 2 0 0 0 2 0 0 3 0 0 3 0 0 0 0 2 0 0 3 0 0 0 5 0 7 3 5 10 0 0 0 0 3 0 0 0 6 2 4 0 0 3 8 4 0 0 # -22.878 0.145 -7.501 # 2pws_A_3960_IBP_23_S_1_A Env_2pws_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 50 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 0 1 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 0 387 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 0 5 0 0 0 0 0 5 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.5467 2 1 0 1 0 0 0 0 0 1 0 2 45.004 0 0 0 0 -1 0 8 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 2 0 0 0 3 4 0 2 0 0 0 3 0 0 0 0 0 -0.9235 12 7 2 3 0 0 0 2 0 3 0 10 297.326 0 0 0 0 -4 2 911 0 0 0 0 2 0 0 1 0 0 0 0 0 0 0 3 0 3 3 0 0 0 0 0 11 1 3 9 0 0 0 0 0 0 0 0 7 4 1 0 0 0 11 1 0 0 1 5 2 3 0 0 0 2 1 0 0 2 0 -3.4783 16 8 3 3 2 0 1 3 0 2.5 2 9 380.738 0.333 0.333 0 0.333 -7 14 982 0 0 0 1 3 0 0 1 0 0 0 0 0 0 0 4 0 3 4 0 0 0 0 1 14 1 3 12 0 1 0 0 3 0 0 0 5 5 3 0 0 3 10 3 0 0 5 7 1 1 0 0 2 3 1 1 0 0 0 -0.9632 21 13 3 5 0 0 1 1.5 1.5 3.5 3 11 524.397 0.666 0.666 0 1.166 -4 21 842 0 0 0 2 4 0 0 2 1 0 0 0 0 0 0 3 0 2 7 0 0 0 0 2 17 2 2 16 1 2 0 0 5 0 0 0 6 5 5 0 0 5 11 5 0 0 # -26.575 5.403 -7.215 # 2pws_A_3960_IBP_30_G_1_A Env_2pws_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 4 233 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 1 0 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 12 932 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 4 0 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 16 932 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 4 0 0 0 0 0 4 0 0 0 1 1 1 0 0 0 0 1 0 0 0 0 0 -0.1953 4 3 0 1 0 0 0 0 0 1 1 3 105.035 0 0 0 0 0 5 932 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 4 0 0 0 0 0 4 0 0 0 1 0 0 2 0 0 0 1 0 0 0 0 0 -0.8019 4 1 2 1 0 0 0 2 0 1 0 4 73.278 0 0 0 0 -3 0 365 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 3 1 3 0 0 0 0 0 0 0 0 3 0 1 0 0 0 3 1 0 0 1 2 0 0 0 1 0 2 0 0 0 0 0 -0.9743 6 3 1 2 0 0 0 0 1 2 0 5 157.028 1 0 1 1 -1 5 340 0 0 0 0 0 0 0 4 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 4 0 5 1 0 0 0 0 0 0 0 2 1 3 0 0 0 3 3 0 0 # -26.914 6.361 -14.402 # 2pws_A_3960_IBP_31_W_1_A Env_2pws_6 1 0 0 0 0 0 0 0 2 0 0 0 0 -0.8035 3 1 0 2 0 0 0 0 0 1 0 0 48.853 0.999 0.999 0 0.999 -2 8 150 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0303 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 50 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 0 1 0 1 0 0 0 1 0 0 0 0 0 -1.0461 3 1 1 1 0 0 0 1 0 1 0 3 59.141 0 0 0 0 -2 0 105 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 1 0 2 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 4 2 1 0 0 0 0 3 0 0 0 0 0 0.4023 10 7 0 3 0 0 0 0 0 3 1 8 262.063 0 0 0 0 -1 4 217 0 0 0 2 1 0 0 0 1 0 0 0 0 2 0 0 0 0 4 0 0 0 2 2 6 0 2 5 1 2 0 0 6 0 0 0 4 0 0 0 0 6 4 0 0 0 3 8 3 8 0 0 1 3 0 0 0 0 0 -4.0351 26 14 9 3 0 0 0 8.5 0.5 3 4 19 598.004 0 0 0 0.5 -8 14 674 0 0 0 0 5 0 0 8 6 0 0 0 0 3 0 0 0 0 3 1 0 0 4 0 14 8 4 16 6 0 0 0 13 0 0 0 8 0 5 0 0 13 8 5 0 0 7 7 10 5 0 0 0 6 0 0 1 1 0 -3.4212 37 24 5 6 2 0 1 5 0 6 11 22 902.226 0 0 0 0 -4 43 1815 0 0 0 1 13 0 0 2 2 0 0 0 0 3 0 0 0 4 9 3 0 0 6 1 28 2 10 24 2 1 0 0 23 0 0 0 13 0 1 0 0 23 13 1 0 0 # -29.655 10.668 -5.817 # 2pws_A_3960_IBP_49_D_1_A Env_2pws_7 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 1 0 0 0 0 0 0 0 0 0 0 0 -0.0142 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 -1 4 148 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 -0.0292 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 5 296 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 -0.0093 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 1 2 1 0 0 0 1 0 0 0 0 0 -1.5802 5 3 1 1 0 0 0 1 0 1 2 3 112.183 0 0 0 0 0 7 426 0 0 0 0 0 0 0 1 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 2 2 1 0 3 2 0 0 0 2 0 0 0 3 0 0 0 0 2 3 0 0 0 4 4 2 1 0 0 1 0 0 0 0 0 0 1.1011 12 10 2 0 0 0 0 1 1 0 4 4 336.965 0 0 0 0 2 21 925 0 0 0 0 0 0 0 1 0 0 1 1 0 0 5 0 0 2 2 0 0 0 6 1 4 1 8 3 1 0 0 0 3 0 0 0 9 0 0 0 0 3 9 0 0 0 # -23.73 11.977 -11.122 # 2pws_A_3960_IBP_69_K_1_A