# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3ggs # POINT_FILE 3ggs_2FD.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_3ggs_0 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 5 129 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 0 1 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 4 129 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 0 1 0 0 0 0 1 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 -0.3252 3 3 0 0 0 0 0 0 0 0 2 0 86.552 0 0 0 0 3 12 245 0 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 2 1 0 0 2 0 1 0 0 0 0 0 0 2 0 1 0 0 0 0 3 0 0 0 1 3 4 1 0 0 2 1 0 0 0 0 0 -1.088 12 8 3 1 0 0 0 2 1 1 6 4 294.529 0 0 0 1 0 23 656 0 0 0 0 0 0 0 0 6 0 0 4 0 2 0 0 0 0 0 0 0 0 2 4 6 0 2 0 10 0 0 0 0 0 0 2 0 4 6 0 0 0 6 6 0 0 2 4 3 1 0 0 0 1 0 0 0 0 0 -0.3137 11 9 1 1 0 0 0 1 0 1 3 3 287.381 0 0 0 0 3 19 933 0 1 0 0 0 4 0 0 3 0 0 1 0 2 0 0 0 0 0 0 0 0 2 2 7 0 2 4 5 0 0 0 0 0 0 6 0 1 4 0 0 0 7 4 0 0 3 7 0 3 0 0 0 4 0 1 0 0 0 -3.3926 18 10 3 5 0 0 1 3 0 4 0 11 450.936 0 0 0 0 -4 15 1440 1 4 0 0 0 5 0 2 1 0 0 1 0 2 0 0 2 0 0 0 0 0 3 5 8 2 3 9 6 0 0 0 0 0 0 10 0 1 7 0 0 0 11 7 0 0 # -5.424 -9.242 -2.239 # 3ggs_C_301_2FD_22_K_1_C Env_3ggs_1 0 0 0 0 0 0 0 0 0 1 0 0 0 -0.6761 1 0 0 1 0 0 1 0 0 0 0 0 17.157 0 0 0 0 -1 2 86 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 1 0 0 0 0 0 0 1 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0.0828 3 3 0 0 0 0 0 0 0 0 0 1 100.53 0 0 0 0 1 3 258 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 3 0 0 3 0 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 1 1 0 1 0 0 0 2 0 0 0 0 0 -0.9884 5 2 1 2 0 0 0 1 0 2 0 4 104.145 0 0 0 0 -2 1 374 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 3 0 0 0 0 0 2 0 3 0 2 3 0 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 2 3 2 2 0 0 0 1 0 0 0 0 0 -0.437 10 7 2 1 0 0 0 2 0 1 2 7 254.418 0 0 0 0 0 7 602 0 0 0 0 0 2 0 0 0 0 3 0 0 5 0 0 0 0 0 0 0 0 8 0 2 0 8 2 0 0 0 0 0 0 0 7 0 0 3 0 0 0 7 3 0 0 4 5 2 5 0 0 0 1 0 0 0 0 0 -1.0584 17 11 5 1 0 0 0 5 0 1 2 11 434.172 0 0 0 0 -2 16 1173 1 0 1 0 0 5 0 2 0 0 4 2 0 2 0 0 0 0 0 0 0 0 7 2 6 2 7 8 2 0 0 2 0 0 0 12 1 0 2 0 0 2 13 2 0 0 2 9 3 3 0 0 0 5 0 0 0 0 0 -3.9811 22 14 3 5 0 0 0 3 0 5 3 13 548.054 0 0 0 0 -1 27 1008 2 2 2 0 0 2 0 4 1 0 6 1 0 2 0 0 0 0 0 0 0 0 10 3 5 4 10 8 4 0 0 1 0 0 0 14 4 0 3 0 0 1 18 3 0 0 # -10.727 -3.125 1.291 # 3ggs_C_301_2FD_43_T_1_C Env_3ggs_2 1 0 0 1 0 0 0 1 0 0 0 0 0 -0.8541 3 1 1 1 0 0 0 1 0 1 0 0 56.502 0 0 0 0 -2 11 405 0 0 0 0 0 3 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 0 0 0 3 0 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0644 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 135 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 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.0066 2 2 0 0 0 0 0 0 0 0 0 1 67.02 0 0 0 0 1 1 270 0 0 0 0 0 2 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 2 0 0 0 0 0 0 2 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0.0113 3 2 1 0 0 0 0 1 0 0 1 2 74.168 0 0 0 0 0 4 328 0 0 0 0 0 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 2 0 1 2 0 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 1 3 3 1 0 1 0 2 0 1 0 0 0 -1.7725 12 7 2 3 0 0 1 1 1 2 3 5 301.395 1 0 1 1 -2 24 994 1 0 0 0 0 1 0 0 1 0 0 2 0 2 0 0 5 0 0 0 0 0 3 2 7 0 3 6 3 0 0 0 0 0 0 9 0 2 1 0 0 0 11 1 0 0 0 5 3 2 0 0 2 0 0 0 0 0 0 -2.2113 12 8 4 0 0 0 0 3 1 0 5 3 304.161 0 0 0 1 3 24 779 1 0 0 0 0 0 0 0 2 0 0 2 0 5 0 0 2 0 0 0 0 0 6 2 4 0 6 2 4 0 0 0 0 0 0 8 0 2 2 0 0 0 10 2 0 0 # -5.867 -6.335 2.746 # 3ggs_C_301_2FD_44_Q_1_C Env_3ggs_3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 -0.6869 6 6 0 0 0 0 0 0 0 0 6 0 153.184 0 0 0 0 6 21 348 0 0 0 0 0 0 0 0 0 0 0 0 0 6 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 0 0 0 0 0 0 -0.0342 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 58 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 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 5 1 2 0 1 1 1 0 0 0 0 0 -1.7861 12 7 4 1 0 0 0 2.5 1.5 1 2 6 314.996 1 0 1 1.5 0 16 580 3 0 0 0 0 2 0 2 2 0 0 1 0 2 0 0 0 0 0 0 0 0 5 1 4 2 5 4 3 0 0 0 0 0 0 9 0 1 2 0 0 0 10 2 0 0 5 3 1 4 0 0 1 3 0 1 0 0 0 -1.171 18 9 5 4 0 0 1 4.5 0.5 3 2 13 404.494 0 0 0 0.5 -10 15 765 1 4 0 0 1 1 0 2 2 0 1 1 0 2 0 0 3 0 0 0 0 0 4 5 7 2 4 7 7 0 0 0 0 0 0 15 0 1 2 0 0 0 16 2 0 0 3 9 1 5 0 0 0 7 0 0 0 0 0 -4.8474 25 13 5 7 0 0 0 5 0 7 1 19 590.076 0 0 0 0 -10 16 1787 1 2 0 0 2 6 0 4 3 0 1 1 0 2 0 0 3 0 0 0 0 0 4 3 14 4 4 15 6 0 0 0 0 0 0 15 4 1 5 0 0 0 20 5 0 0 # -9.398 -6.971 -2.228 # 3ggs_C_301_2FD_72_F_1_C Env_3ggs_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 70 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 -0.137 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 327 0 1 1 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 0 4 1 0 0 0 0 0 0 1 4 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 -0.5679 1 0 0 1 0 0 0 0 0 1 0 1 11.494 0 0 0 0 -1 0 93 0 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 2 6 0 1 0 0 0 1 0 0 0 0 0 -0.0189 10 8 1 1 0 0 0 1 0 1 0 6 293.711 0 0 0 0 1 7 405 0 5 3 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 5 3 0 2 3 5 0 0 0 0 0 0 7 3 0 0 0 0 0 10 0 0 0 2 3 2 2 1 0 0 2 0 0 0 0 0 -1.4351 12 7 3 2 0 0 0 2 1 2 2 6 273.56 0 0 0 0 -2 15 549 1 2 2 0 0 0 0 0 0 0 2 0 0 5 0 0 0 0 0 0 0 0 8 2 2 0 8 2 2 0 0 0 0 0 0 10 2 0 0 0 0 0 12 0 0 0 1 6 3 3 0 0 0 2 0 1 0 0 0 -2.4837 16 10 3 3 0 0 1 3 0 2 2 8 401.039 0.333 0 0.333 0.333 -1 21 597 3 1 1 0 0 0 0 0 0 0 1 0 5 4 0 0 1 0 0 0 0 0 13 1 2 0 13 2 1 0 0 0 0 0 0 8 8 0 0 0 0 0 16 0 0 0 # -16.123 -6.441 -1.806 # 3ggs_C_301_2FD_75_G_1_C Env_3ggs_5 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 19 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 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 -0.3819 2 1 1 0 0 0 0 1 0 0 0 2 47.647 0 0 0 0 -1 0 38 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 2 0 0 1 0 0 0 2 0 0 0 0 0 -0.2416 5 2 1 2 0 0 0 1 0 2 0 5 104.145 0 0 0 0 -3 0 199 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 1 0 2 1 2 0 0 0 0 0 0 4 0 0 1 0 0 0 4 1 0 0 2 4 3 2 0 0 0 2 0 0 0 0 0 -1.1828 13 9 2 2 0 0 0 2 0 2 3 9 331.885 0 0 0 0 0 13 398 0 3 0 0 1 1 0 1 0 0 0 0 0 3 4 0 0 0 0 0 0 0 7 3 2 1 7 3 3 0 0 0 0 0 0 7 0 1 5 0 0 0 8 5 0 0 4 12 3 4 0 0 1 2 0 0 0 1 0 -1.8785 27 19 5 2 1 0 0.5 4.5 0.5 2 4 14 729.975 0 0 0 0.5 1 23 905 0 5 0 0 4 3 0 1 4 0 0 0 0 6 3 0 0 0 0 1 0 0 10 5 11 1 10 8 9 0 0 0 0 0 0 14 0 3 10 0 0 0 17 10 0 0 4 8 2 3 0 1 0 5 0 0 0 0 0 -1.7466 23 14 4 5 0 0 0 3 1 5 2 12 569.68 1 0 1 1 -2 30 618 0 3 0 0 0 4 0 4 3 0 1 1 0 1 0 0 0 0 0 6 0 0 8 4 7 4 8 8 7 0 0 0 0 0 0 12 2 5 4 0 0 0 19 4 0 0 # -10.288 -7.452 -6.949 # 3ggs_C_301_2FD_77_A_1_C