# EXCLUDED_RESIDUES HETATM # PDBID_LIST 2b4r # POINT_FILE 2b4r_AES.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_2b4r_0 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 41 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 0 1 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 0 258 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 0 1 3 1 4 0 0 0 0 0 0 0 0 0 5 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 49 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 1 0 0 0 0 1 0 0 0 2 8 0 2 0 0 0 0 0 1 0 0 0 -0.5654 13 10 2 1 0 0 1 2 0 0 0 6 380.531 0 0 0 0 2 14 636 0 0 0 0 0 0 0 0 0 0 3 0 0 1 0 1 4 0 0 4 0 0 8 0 5 0 8 5 0 0 0 0 0 0 0 0 0 8 5 0 0 0 8 5 0 0 0 6 0 0 0 0 0 3 1 1 0 0 0 -4.0739 11 6 0 5 0 0 1 0 0 3.5 0 5 266.836 0.333 0.333 0 0.333 -1 12 339 1 0 0 0 0 0 2 0 0 0 1 0 0 1 0 3 1 0 0 2 0 0 5 2 4 0 5 4 0 2 0 0 0 0 0 2 0 5 4 0 0 0 7 4 0 0 4 7 3 4 0 1 0 3 1 0 0 0 0 -1.9473 23 14 5 4 0 0 0 4 1 3.5 3 12 567.977 1.666 0.666 1 1.666 -3 30 647 2 0 1 0 0 0 4 0 0 0 2 2 0 6 0 6 0 0 0 0 0 0 10 6 7 0 10 7 2 4 0 0 0 0 0 5 0 8 10 0 0 0 13 10 0 0 # 14.826 23.021 10.346 # 2b4r_O_601_AES_100_G_1_O Env_2b4r_1 0 0 0 0 0 0 0 0 0 0 0 1 0 -0.3118 1 0 0 0 1 0 0.5 0 0 0 0 0 26.521 0 0 0 0 -1 2 24 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.123 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 0 1 24 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 2 0 0 1 0 0 0 0 0 0 -0.4923 5 2 3 0 0 0 0 2.5 0.5 0 1 4 115.873 0 0 0 0.5 -3 4 98 0 0 0 0 3 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 5 0 0 4 1 0 0 0 4 0 0 1 0 0 0 0 0 4 1 0 0 0 3 5 4 0 0 0 0 2 0 2 0 0 0 -0.9861 16 12 0 4 0 0 2 0 0 2 5 6 418.535 0 0 0 0 -1 30 172 0 0 4 0 1 0 0 0 2 0 0 0 0 0 0 2 3 0 4 0 0 0 0 0 16 0 0 14 2 0 0 0 4 0 0 6 4 0 2 0 0 4 10 2 0 0 2 3 6 4 0 0 1 2 0 2 0 0 0 -4.7273 20 11 5 4 0 0 2 4.5 0.5 2 7 6 434.198 0 0 0 0.5 -2 35 205 0 0 4 0 0 0 1 0 2 0 0 0 0 0 0 4 3 0 6 0 0 0 0 1 19 0 0 17 2 1 0 0 7 0 0 5 5 0 3 0 0 7 10 3 0 0 3 11 3 5 0 0 0 4 0 1 0 0 0 -5.3322 27 17 5 5 0 0 1 5 0 4 4 13 679.882 0 0 0 0 -1 31 206 3 0 3 2 2 0 1 0 1 1 0 0 0 0 0 2 4 0 8 0 0 0 4 3 20 0 4 19 1 3 0 0 14 0 0 6 1 0 6 0 0 14 7 6 0 0 # 20.202 11.797 7.538 # 2b4r_O_601_AES_153_C_1_O Env_2b4r_2 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 38 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 0 3 0 1 0 0 0 0 0 0 0 0 0 -0.8362 4 3 1 0 0 0 0 1 0 0 0 1 124.959 0 0 0 0 0 6 196 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 4 0 0 4 0 0 0 0 0 0 0 0 1 0 3 0 0 0 1 3 0 0 2 0 0 1 1 0 0 2 0 0 0 0 0 -1.1446 6 2 2 2 0 0 0 1.5 0.5 2 0 3 115.643 0.333 0 0.333 0.333 -4 12 231 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 1 5 0 0 5 1 0 0 0 0 0 0 1 1 1 3 0 0 0 3 3 0 0 2 3 1 3 0 0 0 3 0 0 0 0 0 -1.1691 12 6 3 3 0 0 0 3 0 3 0 7 252.091 0.333 0 0.333 0.333 -4 14 370 2 1 3 0 0 3 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 2 1 9 0 2 9 1 0 0 0 0 0 0 1 4 3 4 0 0 0 8 4 0 0 3 9 2 2 2 0 1 0 0 0 0 0 0 -0.9923 19 14 5 0 0 0 0 3 2 0 3 7 546.931 0.333 0 0.333 0.833 -1 32 595 4 5 2 0 0 3 0 0 3 0 0 0 0 0 0 2 0 0 0 0 0 0 4 5 10 0 4 7 8 0 0 0 0 0 0 8 5 3 3 0 0 0 16 3 0 0 2 9 1 2 0 0 1 4 0 1 0 0 0 -4.828 20 12 3 5 0 0 1 2.5 0.5 4 2 9 517.409 0 0 0 0.5 -1 22 337 5 1 2 0 0 2 0 0 5 0 0 0 0 0 0 1 0 0 0 4 0 0 9 1 10 0 9 5 6 0 0 1 0 0 0 6 3 6 4 0 0 1 15 4 0 0 # 13.462 11.805 12.641 # 2b4r_O_601_AES_183_T_1_O Env_2b4r_3 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 70 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 0 1 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 0 140 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 0 2 0 0 0 0 0 2 0 0 0 2 1 0 1 0 0 0 1 0 0 0 0 0 -0.1083 5 3 1 1 0 0 0 1 0 1 0 4 126.161 0 0 0 0 -1 2 270 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 3 0 2 0 3 2 0 0 0 0 0 0 0 0 3 1 1 0 0 0 4 1 0 0 0 3 0 0 0 0 0 1 0 0 0 0 0 -0.5535 4 3 0 1 0 0 0 0 0 1 0 3 112.024 0 0 0 0 0 2 183 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 1 3 0 0 3 1 0 0 0 1 0 0 0 1 0 2 0 0 1 1 2 0 0 3 7 0 4 0 0 0 3 0 1 0 0 0 -2.5512 18 10 4 4 0 0 1 4 0 3 0 9 440.648 0 0 0 0 -4 16 574 0 2 4 1 0 2 0 0 0 0 0 0 0 0 0 0 3 0 0 6 0 0 6 3 9 0 6 9 2 1 0 0 2 0 0 0 4 9 3 0 0 2 13 3 0 0 5 11 0 4 1 0 0 4 0 0 0 0 0 -2.7911 25 16 5 4 0 0 0 4 1 4 0 17 659.263 0 0 0 0 -3 17 523 0 3 2 2 0 3 0 4 0 0 2 0 0 0 0 2 1 0 0 6 0 0 8 5 8 4 8 12 3 2 0 0 3 0 0 0 2 13 7 0 0 3 15 7 0 0 # 14.132 16.19 17.006 # 2b4r_O_601_AES_184_A_1_O Env_2b4r_4 1 0 0 1 0 0 0 1 0 0 0 0 0 -0.7992 3 1 1 1 0 0 0 1 0 1 0 0 56.502 0 0 0 0 -2 8 246 0 0 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 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.204 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 82 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 1 1 0 2 1 0 0 0 0 1 0 0 0 -1.7585 6 2 3 1 0 0 1 2.5 0.5 0 0 4 136.88 0.333 0 0.333 0.333 -4 8 319 0 1 3 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 5 0 0 5 1 0 0 0 0 0 0 1 3 1 1 0 0 0 5 1 0 0 2 5 1 1 2 0 0 2 0 0 0 0 0 -0.686 13 8 3 2 0 0 0 1.5 1.5 2 0 7 337.282 0.666 0 0.666 0.666 -3 19 479 2 3 1 0 0 3 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 2 3 8 0 2 8 3 0 0 0 0 0 0 3 3 3 4 0 0 0 9 4 0 0 2 4 0 1 0 0 0 3 1 0 0 0 0 -2.0131 11 6 1 4 0 0 0 1 0 3.5 0 5 250.885 0.333 0.333 0 0.333 -3 16 342 4 1 0 1 0 3 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 4 2 5 0 4 5 1 1 0 2 0 0 0 1 2 3 3 0 0 2 6 3 0 0 3 5 0 3 0 0 0 1 1 0 0 0 0 -1.2881 13 8 3 2 0 0 0 3 0 1.5 0 6 333.483 0.666 0.666 0 0.666 -1 14 409 4 2 0 3 0 2 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 5 5 3 0 5 3 2 3 0 3 0 0 0 2 1 2 5 0 0 3 5 5 0 0 # 10.912 13.757 12.028 # 2b4r_O_601_AES_185_N_1_O Env_2b4r_5 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 5 186 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 1 0 0 0 0 0 0 0 0 0 1 0 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 4 186 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 1 0 0 0 0 0 0 0 0 0 1 0 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 5 372 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 2 0 0 0 0 0 0 0 0 0 2 0 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 1 186 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 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 1 0 0 0 1 0 0 0 0 0 -1.5677 4 2 1 1 0 0 0 1 0 1 0 3 92.651 0 0 0 0 -1 3 491 1 0 0 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 2 2 0 0 2 0 2 0 0 2 0 0 0 0 1 0 1 0 0 2 1 1 0 0 4 3 0 1 0 0 0 3 0 0 0 0 0 0.3547 11 7 1 3 0 0 0 1 0 3 0 9 283.189 0 0 0 0 -2 5 751 1 0 4 0 0 1 0 0 0 0 2 1 0 0 1 1 0 0 0 0 0 0 4 1 6 0 4 6 1 0 0 1 0 0 0 0 5 1 4 0 0 1 6 4 0 0 # 7.323 20.169 18.103 # 2b4r_O_601_AES_194_K_1_O Env_2b4r_6 0 0 1 0 0 0 0 0 0 0 0 0 0 0.8076 1 1 0 0 0 0 0 0 0 0 0 0 20.579 0.333 0 0.333 0.333 0 5 27 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 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 3 0 0 0 0 0 0 0 0 -2.2062 4 1 3 0 0 0 0 1 2 0 0 0 102.947 0.666 0 0.666 0.666 -3 19 108 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.5541 2 1 0 1 0 0 0 0 0 1 0 0 45.004 0 0 0 0 0 5 109 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 2 0 0 0 2 4 0 1 0 0 0 1 1 1 0 0 0 -2.0271 10 6 1 3 0 0 1 1 0 1.5 0 0 242.415 0.333 0.333 0 0.333 0 22 337 2 1 2 1 0 3 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 2 6 0 2 6 1 1 0 1 0 0 0 2 2 3 2 0 0 1 7 2 0 0 4 8 0 4 0 0 0 4 1 0 0 0 0 -2.8448 21 12 4 5 0 0 0 4 0 4.5 0 13 516.142 0.666 0.666 0 0.666 -5 15 508 7 2 1 2 0 2 0 0 0 3 0 0 0 0 2 1 1 0 0 0 0 0 12 4 5 0 12 5 2 2 0 4 0 0 0 11 1 2 3 0 0 4 14 3 0 0 8 12 1 5 0 0 1 7 0 0 0 0 0 -2.0812 34 21 6 7 0 0 0 5.5 0.5 7 2 25 856.059 0 0 0 0.5 -6 16 1076 5 4 4 2 0 2 0 1 3 4 0 0 0 1 1 2 5 0 0 0 0 0 11 6 16 1 11 14 7 2 0 4 0 0 0 16 4 2 8 0 0 4 22 8 0 0 # 10.03 10.612 9.745 # 2b4r_O_601_AES_237_R_1_O