# EXCLUDED_RESIDUES HETATM # PDBID_LIST 4njb # POINT_FILE 4njb_3OP.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_4njb_0 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 11 123 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 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 -0.0644 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 41 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 -0.9441 2 1 1 0 0 0 0 1 0 0 0 0 57.939 0 0 0 0 0 5 50 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 1 0 1 0 0 0 0 0 0 1 1 0 0 0 3 6 1 1 0 0 1 1 1 0 0 0 0 -1.1452 14 10 2 2 0 0 0 1.5 0.5 1.5 2 2 372.888 0.333 0.333 0 0.833 1 37 170 0 0 0 0 0 7 1 0 2 0 4 0 0 0 0 0 0 0 0 0 0 0 4 1 9 0 4 7 2 1 0 0 11 0 2 0 0 1 0 0 0 11 3 0 0 0 1 4 2 4 0 0 1 3 1 0 1 0 0 -4.2564 17 7 5 4 1 0 0 4.5 0.5 3.5 3 7 347.544 0.666 0.666 0 1.166 -5 26 316 0 0 0 0 0 6 4 0 3 1 2 0 1 0 0 0 0 0 0 0 0 0 4 4 9 0 4 6 3 4 0 0 10 0 3 0 0 4 0 0 0 10 7 0 0 0 8 16 1 3 0 0 1 8 0 0 0 0 0 -2.1647 37 25 4 8 0 0 0 3.5 0.5 8 2 23 985.703 0 0 0 0.5 0 28 526 2 3 0 1 0 8 4 2 3 4 5 0 4 0 0 0 0 0 0 1 0 0 16 8 11 2 16 10 6 5 0 2 23 0 3 0 4 4 1 0 0 25 11 1 0 0 # -19.796 5.825 22.576 # 4njb_A_623_3OP_105_Q_1_A Env_4njb_1 0 0 1 0 0 0 2 0 0 0 0 0 0 -0.6593 3 1 2 0 0 0 0 1 1 0 3 0 61.237 0 0 0 1 -2 11 45 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 -0.0338 2 2 0 0 0 0 0 0 0 0 2 0 47.1 0 0 0 0 0 5 30 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 -0.5369 2 1 1 0 0 0 0 0 1 0 0 0 54.089 0 0 0 0 0 5 55 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 2 0 0 0 1 0 0 0 1 0 0 0 0 1 1 0 0 0 2 7 1 2 2 0 0 1 2 0 0 0 0 -4.0118 17 10 4 3 0 0 0 3 1 2 0 4 436.43 1.665 0.666 0.999 1.665 -2 44 503 0 6 0 2 0 5 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 2 8 7 0 2 5 8 2 0 0 10 0 0 0 6 1 0 0 0 10 7 0 0 0 6 8 0 4 0 0 1 6 1 0 0 0 0 -2.2097 26 14 5 7 0 0 0 4.5 0.5 6.5 1 17 603.506 0.999 0.999 0 1.499 -8 20 462 1 4 0 10 0 3 0 0 3 4 1 0 0 0 0 0 0 0 0 0 0 0 6 14 6 0 6 3 7 10 0 0 17 0 0 0 5 3 1 0 0 17 8 1 0 0 7 13 4 5 0 0 0 1 2 0 0 0 0 -1.4436 32 24 5 3 0 0 0 5 0 2 4 14 878.156 0.999 0.999 0 0.999 4 42 727 3 0 0 6 0 2 4 2 2 3 3 0 0 5 0 0 0 0 0 2 0 0 16 10 4 2 16 4 2 10 0 0 17 0 0 0 5 6 4 0 0 17 11 4 0 0 # -22.96 2.24 23.382 # 4njb_A_623_3OP_109_H_1_A Env_4njb_2 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 21 990 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 0 6 0 0 0 0 0 6 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.6021 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 1 330 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 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 2 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 -0.0305 5 4 1 0 0 0 0 1 0 0 2 3 134.199 0 0 0 0 1 9 444 0 1 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 1 0 0 4 0 1 0 0 0 0 0 0 0 3 0 2 0 0 0 3 2 0 0 0 3 2 1 0 0 0 0 0 0 0 0 0 -0.9367 6 5 1 0 0 0 0 1 0 0 2 2 167.709 0 0 0 0 3 10 359 0 3 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 3 0 0 3 0 3 0 0 0 0 0 0 0 4 0 2 0 0 0 4 2 0 0 3 5 2 2 1 0 0 2 2 0 0 0 0 -2.5648 17 10 3 4 0 0 0 2 1 3 2 6 412.656 0.999 0.999 0 0.999 -2 28 419 1 4 1 6 0 0 0 0 0 0 0 0 0 2 3 0 0 0 0 0 0 0 6 10 1 0 6 1 4 6 0 0 0 0 0 0 6 6 5 0 0 0 12 5 0 0 # -30.149 2.91 29.956 # 4njb_A_623_3OP_254_F_1_A Env_4njb_3 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 40 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 0 1 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 19 160 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 0 4 0 0 0 0 0 4 0 0 0 0 1 3 0 0 0 0 1 2 0 0 0 0 -2.2409 7 4 0 3 0 0 0 0 0 2 3 1 140.957 0.666 0.666 0 0.666 -1 14 123 0 0 0 3 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 2 3 2 0 2 0 2 3 0 0 2 0 0 0 0 2 3 0 0 2 2 3 0 0 3 5 5 1 0 0 2 1 0 0 0 0 0 -0.3309 17 13 3 1 0 0 0 2 1 1 7 6 448.101 0.333 0.333 0 1.333 3 31 421 0 2 0 2 0 0 0 0 7 0 0 0 0 6 0 0 0 0 0 0 0 0 6 4 7 0 6 0 9 2 0 0 7 0 0 0 2 1 7 0 0 7 3 7 0 0 2 5 1 6 0 0 0 1 1 0 0 0 0 -3.8783 16 8 6 2 0 0 0 6 0 1.5 1 11 371.544 0.333 0.333 0 0.333 -4 13 469 1 2 0 7 0 0 0 0 1 0 0 0 0 3 0 0 0 0 0 2 0 0 6 9 1 0 6 0 3 7 0 0 5 0 0 0 3 3 5 0 0 5 6 5 0 0 7 10 2 2 0 0 0 7 3 0 0 0 0 -2.5604 31 19 2 10 0 0 0 2 0 8.5 2 17 742.051 1.665 1.665 0 1.665 -5 27 1341 1 2 1 13 0 1 0 0 0 1 3 0 0 7 1 0 0 0 0 1 0 0 14 15 2 0 14 2 2 13 0 0 11 0 0 1 9 4 6 0 0 11 14 6 0 0 # -24.855 -0.527 25.276 # 4njb_A_623_3OP_255_R_1_A Env_4njb_4 1 0 0 0 0 0 0 0 2 0 0 0 0 -0.832 3 1 0 2 0 0 0 0 0 1 0 0 48.853 0.999 0.999 0 0.999 -2 11 111 0 0 0 0 0 0 3 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 0 0 0 0 0 3 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0136 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 37 0 0 0 0 0 0 1 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 0 0 1 0 0 0 0 1 0 0 0 1 2 0 0 0 0 0 1 0 0 0 0 0 0.0503 4 3 0 1 0 0 0 0 0 1 0 3 112.024 0 0 0 0 0 1 148 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 0 0 3 1 3 0 0 0 0 0 0 0 0 0 -2.069 7 4 3 0 0 0 0 3 0 0 1 3 179.754 0 0 0 0 0 10 116 0 0 0 0 0 5 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 5 0 1 5 0 1 0 0 1 0 5 0 0 1 0 0 0 1 6 0 0 0 4 5 5 1 0 0 0 3 0 0 0 0 0 -1.9374 18 14 1 3 0 0 0 1 0 3 5 5 461.302 0 0 0 0 5 44 230 0 1 0 0 0 5 0 0 0 0 3 0 0 7 0 2 0 0 0 0 0 0 10 1 7 0 10 7 1 0 0 0 4 0 8 1 5 0 0 0 0 4 14 0 0 0 2 13 7 4 0 0 2 4 0 0 0 0 0 -5.1134 32 22 6 4 0 0 0 5 1 4 9 12 826.037 0 0 0 1 6 57 499 0 4 0 0 0 3 0 0 3 1 8 0 0 11 0 2 0 0 0 0 0 0 20 4 8 0 20 5 7 0 0 3 8 0 6 3 12 0 0 0 0 11 21 0 0 0 # -20.531 7.925 26.879 # 4njb_A_623_3OP_258_E_1_A Env_4njb_5 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 21 132 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 0 6 0 0 0 0 0 6 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.0366 2 2 0 0 0 0 0 0 0 0 0 1 67.02 0 0 0 0 1 1 44 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 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 2 0 0 0 3 7 2 2 0 0 0 2 0 0 0 0 0 -0.4875 16 12 2 2 0 0 0 2 0 2 2 8 439.404 0 0 0 0 3 16 424 0 0 0 0 0 0 6 0 0 0 0 0 0 4 4 2 0 0 0 0 0 0 8 6 2 0 8 2 0 6 0 0 2 0 1 2 5 6 0 0 0 2 14 0 0 0 5 10 2 5 0 0 0 4 1 0 2 0 0 -1.948 29 17 5 5 2 0 1 5 0 4.5 2 18 714.717 0.666 0.666 0 0.666 -7 20 586 0 0 1 0 3 4 2 0 0 0 0 0 0 10 7 2 0 0 0 0 0 0 17 2 10 0 17 10 0 2 0 0 6 0 5 4 7 2 5 0 0 6 18 5 0 0 3 10 5 5 0 0 0 3 1 1 0 0 0 -5.1106 28 18 5 5 0 0 1 5 0 3.5 5 15 714.988 0.333 0.333 0 0.333 -2 35 531 0 3 1 0 3 4 1 0 0 2 2 0 0 8 2 2 0 0 0 0 0 0 14 4 10 0 14 10 3 1 0 2 3 0 4 5 8 1 5 0 0 5 18 5 0 0 # -25.124 10.51 30.152 # 4njb_A_623_3OP_381_F_1_A Env_4njb_6 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 11 147 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 0 0 0 3 0 0 0 0 3 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 49 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 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0035 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 49 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 0 0 0 1 0 0 0 0 1 0 0 0 3 1 1 0 0 0 1 0 0 0 0 0 -1.59 6 4 1 1 0 0 0 1 0 1 1 3 152.682 0 0 0 0 1 9 119 0 0 0 0 0 2 0 0 0 1 1 0 0 2 0 0 0 0 0 0 0 0 4 0 2 0 4 2 0 0 0 0 1 0 0 3 0 0 2 0 0 1 3 2 0 0 2 8 6 1 0 0 0 1 1 0 0 0 0 -1.646 19 16 1 2 0 0 0 1 0 1.5 6 4 528.052 0.333 0.333 0 0.333 9 38 350 0 0 0 0 0 2 1 0 1 3 3 0 0 7 2 0 0 0 0 0 0 0 15 1 3 0 15 2 1 1 0 0 3 0 1 10 2 1 2 0 0 3 14 2 0 0 6 10 3 3 1 0 1 4 1 0 0 0 0 -2.5788 29 19 5 5 0 0 0 4 1 4.5 4 17 744.382 0.999 0.666 0.333 1.499 -3 39 619 0 1 0 3 0 0 2 0 3 0 6 0 1 6 7 0 0 0 0 0 0 0 20 6 3 0 20 0 4 5 0 0 4 0 2 8 7 3 5 0 0 4 20 5 0 0 # -20.695 5.663 35.26 # 4njb_A_623_3OP_423_Q_1_A Env_4njb_7 0 2 0 1 0 0 0 0 0 0 0 0 0 -0.2429 3 2 1 0 0 0 0 1 0 0 0 1 81.157 0 0 0 0 1 3 159 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 0 3 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.0073 2 2 0 0 0 0 0 0 0 0 0 1 67.02 0 0 0 0 0 1 106 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 2 0 0 0 0 0 -0.3746 6 3 1 2 0 0 0 1 0 2 0 6 137.655 0 0 0 0 -3 0 352 0 0 0 0 0 3 0 0 0 0 0 0 0 0 2 0 1 0 0 0 0 0 2 0 4 0 2 4 0 0 0 0 0 0 0 0 3 0 3 0 0 0 3 3 0 0 0 3 5 1 0 0 0 0 0 0 0 0 0 -1.1508 9 8 1 0 0 0 0 1 0 0 5 1 247.272 0 0 0 0 7 24 220 0 0 0 0 0 2 0 0 0 0 0 0 0 5 2 0 0 0 0 0 0 0 7 0 2 0 7 2 0 0 0 0 2 0 0 2 3 0 2 0 0 2 5 2 0 0 3 6 6 2 0 0 0 2 0 0 0 0 0 -1.1465 19 15 2 2 0 0 0 2 0 2 6 7 497.455 0 0 0 0 3 31 707 0 0 0 0 0 3 0 0 3 0 0 0 0 7 2 0 4 0 0 0 0 0 9 0 10 0 9 7 3 0 0 0 2 0 0 4 7 3 3 0 0 2 14 3 0 0 3 5 4 1 0 0 1 3 0 1 0 0 0 -1.53 18 12 2 4 0 0 1 1.5 0.5 3 5 8 454.577 0 0 0 0.5 0 27 590 0 0 0 0 0 1 0 0 5 0 0 0 0 6 3 1 2 0 0 0 0 0 9 0 9 0 9 4 5 0 0 0 3 0 0 4 4 5 2 0 0 3 13 2 0 0 # -26.139 8.757 34.509 # 4njb_A_623_3OP_424_P_1_A