# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3uba # POINT_FILE 3uba_HC4.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_3uba_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 11 117 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 39 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 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 39 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 3 6 1 2 0 0 2 1 1 0 0 0 0 -2.478 16 10 4 2 0 0 0 3 1 1.5 3 3 411.454 0.666 0.666 0 1.666 -1 40 260 0 0 0 0 0 7 2 0 3 0 4 0 0 0 0 0 0 0 0 0 0 0 4 2 10 0 4 7 3 2 0 0 11 0 3 0 0 2 0 0 0 11 5 0 0 0 1 4 2 4 0 0 0 3 1 0 1 0 0 -3.8642 16 7 4 4 1 0 0 4 0 3.5 2 6 333.407 0.333 0.333 0 0.333 -4 27 220 0 0 0 0 0 7 3 0 2 1 2 0 1 0 0 0 0 0 0 0 0 0 4 3 9 0 4 7 2 3 0 0 10 0 3 0 0 3 0 0 0 10 6 0 0 0 8 13 1 4 0 0 1 7 0 0 0 0 0 -1.9526 34 22 5 7 0 0 0 4.5 0.5 7 2 23 887.816 0 0 0 0.5 -3 23 498 2 3 0 1 0 8 3 2 4 2 4 0 4 0 0 0 0 0 0 1 0 0 13 7 12 2 13 10 7 4 0 2 21 0 3 0 4 3 1 0 0 23 10 1 0 0 # 7.352 5.119 22.689 # 3uba_A_700_HC4_105_Q_1_A Env_3uba_1 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 66 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 22 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 1 1 0 0 0 0 0 1 1 0 0 0 0 -0.8087 4 2 0 2 0 0 0 0 0 1.5 0 3 92.651 0.333 0.333 0 0.333 -2 3 74 0 0 0 4 0 0 0 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 3 0 0 0 0 0 1 0 0 3 0 1 0 0 1 2 4 2 0 0 0 0 1 0 0 0 0 -1.5309 10 7 2 1 0 0 0 2 0 0.5 4 3 230.152 0.666 0.666 0 0.666 1 18 111 0 0 0 3 0 0 0 0 3 0 0 0 0 4 0 0 0 0 0 0 0 0 4 3 3 0 4 0 3 3 0 4 4 0 0 0 0 0 2 0 0 8 0 2 0 0 7 9 5 2 1 0 1 7 0 0 0 0 0 -2.6411 32 21 4 7 0 0 0 3 1 7 6 21 816.563 0.333 0 0.333 0.833 -3 33 450 0 4 0 5 0 3 0 2 4 0 1 0 0 8 0 0 3 0 0 2 0 0 11 9 10 2 11 8 8 5 0 9 17 0 0 0 1 0 5 0 0 26 1 5 0 0 4 13 6 10 4 0 2 2 0 0 0 0 0 -5.115 41 23 16 2 0 0 0 12 4 2 6 19 1016.29 1.332 0 1.332 2.332 -9 73 780 0 9 0 1 0 4 0 1 5 3 5 0 0 7 0 0 3 0 0 3 0 0 18 10 12 1 18 8 14 1 0 9 27 0 0 0 3 0 2 0 0 36 3 2 0 0 # 8.096 -2.654 23.212 # 3uba_A_700_HC4_108_D_1_A Env_3uba_2 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 1 0 0 0 0 0 -1.1048 3 1 1 1 0 0 0 0 1 1 0 1 65.583 0 0 0 0 -1 5 93 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 1 2 0 0 0 2 0 0 0 1 0 0 0 0 2 1 0 0 0 2 7 1 2 2 0 0 0 2 0 0 0 0 -3.4439 16 10 4 2 0 0 0 3 1 1 0 3 424.936 1.665 0.666 0.999 1.665 -1 44 447 0 6 0 2 0 4 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 2 8 6 0 2 4 8 2 0 0 9 0 0 0 6 1 0 0 0 9 7 0 0 0 5 7 0 4 0 0 0 6 1 0 0 0 0 -2.4971 23 12 4 7 0 0 0 4 0 6.5 0 16 515.907 0.999 0.999 0 0.999 -8 15 436 1 4 0 9 0 3 0 0 2 3 1 0 0 0 0 0 0 0 0 0 0 0 5 13 5 0 5 3 6 9 0 0 15 0 0 0 5 2 1 0 0 15 7 1 0 0 7 10 3 4 0 0 1 2 2 0 0 0 0 -1.6352 29 20 5 4 0 0 0 4.5 0.5 3 4 13 774.983 0.999 0.999 0 1.499 0 41 465 2 0 0 5 0 2 4 2 3 3 3 0 0 2 0 0 0 0 0 3 0 0 13 9 5 2 13 4 3 9 0 0 19 0 0 0 3 5 2 0 0 19 8 2 0 0 # 4.354 1.758 23.435 # 3uba_A_700_HC4_109_H_1_A Env_3uba_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 21 966 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 1 322 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 0 1 0 0 0 0 0 0 0 0 0 0.2469 3 2 1 0 0 0 0 1 0 0 0 3 81.157 0 0 0 0 -1 0 361 0 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 1 0 0 2 0 1 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 1 3 2 1 0 0 0 0 0 0 0 0 0 -0.3818 7 6 1 0 0 0 0 1 0 0 2 3 201.219 0 0 0 0 3 12 375 0 3 0 1 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 4 0 0 3 0 3 1 0 0 0 0 0 0 4 1 2 0 0 0 5 2 0 0 1 4 3 2 0 0 0 1 1 0 0 0 0 -2.4447 12 8 2 2 0 0 0 2 0 1.5 3 3 311.31 0.333 0.333 0 0.333 0 29 503 1 2 1 2 0 0 0 0 0 0 0 2 0 3 1 0 0 0 0 0 0 0 5 6 1 0 5 1 4 2 0 0 0 0 0 0 5 2 5 0 0 0 7 5 0 0 # -3.807 3.255 29.706 # 3uba_A_700_HC4_254_F_1_A Env_3uba_4 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 39 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 19 156 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 2 2 0 0 0 0 1 2 0 0 0 0 -2.2137 7 4 0 3 0 0 0 0 0 2 2 1 153.888 0.666 0.666 0 0.666 -1 14 133 0 1 0 3 0 0 0 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 1 4 2 0 1 0 3 3 0 0 2 0 0 0 1 2 2 0 0 2 3 2 0 0 3 4 5 2 0 0 2 1 0 0 0 0 0 -0.6034 17 12 4 1 0 0 0 3 1 1 7 7 422.786 0.333 0.333 0 1.333 1 27 448 0 1 0 2 0 0 0 0 8 0 0 0 0 6 0 0 0 0 0 0 0 0 6 3 8 0 6 0 9 2 0 0 8 0 0 0 1 1 7 0 0 8 2 7 0 0 2 5 2 5 0 0 0 1 1 0 0 0 0 -3.633 16 9 5 2 0 0 0 5 0 1.5 2 10 383.928 0.333 0.333 0 0.333 -2 17 500 1 2 0 7 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 2 0 0 7 9 0 0 7 0 2 7 0 0 4 0 0 0 3 3 6 0 0 4 6 6 0 0 7 12 0 2 0 0 0 6 3 0 0 0 0 -1.8857 30 19 2 9 0 0 0 2 0 7.5 0 19 750.477 1.665 1.665 0 1.665 -6 19 860 2 2 0 14 0 1 0 0 0 1 4 0 0 4 1 0 0 0 0 1 0 0 13 16 1 0 13 1 2 14 0 0 13 0 0 0 6 4 7 0 0 13 10 7 0 0 # 2.318 -1.136 25.109 # 3uba_A_700_HC4_255_R_1_A Env_3uba_5 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 99 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 33 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 1 0 0 0 0 0 0 0 0 0 0.1125 4 3 1 0 0 0 0 1 0 0 0 2 114.667 0 0 0 0 1 3 86 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 0 0 2 0 2 0 0 0 0 2 0 0 2 0 0 0 0 4 0 0 0 2 3 2 2 0 0 0 1 0 0 0 0 0 -0.9113 10 7 2 1 0 0 0 2 0 1 2 4 244.79 0 0 0 0 0 18 209 0 0 0 0 0 5 3 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 3 5 0 2 5 0 3 0 0 2 0 5 0 0 3 0 0 0 2 8 0 0 0 2 6 5 1 0 0 0 4 0 0 0 0 0 -3.7127 18 13 1 4 0 0 0 1 0 4 5 5 465.148 0 0 0 0 4 43 210 0 1 0 0 0 5 0 0 1 0 4 0 0 6 0 1 0 0 0 0 0 0 10 1 7 0 10 6 2 0 0 0 5 0 8 1 4 0 0 0 0 5 13 0 0 0 4 14 6 5 0 0 2 4 0 0 0 0 0 -4.352 35 24 7 4 0 0 0 6 1 4 8 17 907.741 0 0 0 1 5 48 475 2 3 0 0 0 2 0 0 2 1 11 0 0 11 0 3 0 0 0 0 0 0 25 3 7 0 25 5 5 0 0 3 11 0 4 3 14 0 0 0 0 14 21 0 0 0 # 6.665 7.568 26.471 # 3uba_A_700_HC4_258_E_1_A Env_3uba_6 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 21 162 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 3 0 0 0 0 0 0 0 0 0 0 0 0.0031 3 3 0 0 0 0 0 0 0 0 0 2 100.53 0 0 0 0 1 1 87 0 0 0 0 0 0 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 1 0 0 2 0 0 1 0 0 0 0 0 0 2 1 0 0 0 0 3 0 0 0 3 6 1 2 0 0 0 3 0 0 0 0 0 -0.9248 15 10 2 3 0 0 0 2 0 3 1 8 390.867 0 0 0 0 1 12 367 0 0 0 0 0 0 5 0 0 0 0 0 0 4 4 2 0 0 0 0 0 0 8 5 2 0 8 2 0 5 0 0 2 0 1 2 5 5 0 0 0 2 13 0 0 0 5 10 2 5 0 0 0 3 0 0 2 0 0 -0.7435 27 17 5 3 2 0 1 5 0 3 2 17 695.028 0.333 0.333 0 0.333 -5 18 547 0 0 1 0 3 4 1 0 0 0 0 0 0 9 7 2 0 0 0 0 0 0 16 1 10 0 16 10 0 1 0 0 6 0 4 4 7 1 5 0 0 6 16 5 0 0 3 11 6 4 0 0 0 3 2 1 0 0 0 -5.3494 30 20 4 6 0 0 1 4 0 4 6 15 758.785 0.666 0.666 0 0.666 0 39 488 0 3 1 0 3 4 2 0 0 1 3 0 0 9 2 2 0 0 0 0 0 0 15 5 10 0 15 10 3 2 0 2 4 0 6 6 6 2 4 0 0 6 20 4 0 0 # 1.924 9.879 30.018 # 3uba_A_700_HC4_381_F_1_A Env_3uba_7 0 1 0 1 0 0 0 0 0 0 0 0 0 -0.2359 2 1 1 0 0 0 0 1 0 0 0 1 47.647 0 0 0 0 0 2 102 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 0 3 0 0 0 0 0 0 0 0 0 0 0 -0.0143 3 3 0 0 0 0 0 0 0 0 0 1 100.53 0 0 0 0 1 2 153 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 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 0 341 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 4 4 1 0 0 0 0 0 0 0 0 0 -1.0193 9 8 1 0 0 0 0 1 0 0 4 2 254.261 0 0 0 0 6 20 300 0 0 0 0 0 2 0 0 0 0 0 0 0 4 2 0 1 0 0 0 0 0 6 0 3 0 6 3 0 0 0 0 2 0 0 2 3 0 2 0 0 2 5 2 0 0 3 5 7 3 0 0 0 2 0 1 0 0 0 -1.9725 21 15 3 3 0 0 1 3 0 2 7 7 521.76 0 0 0 0 2 36 675 0 0 0 0 0 3 0 0 4 0 0 0 0 8 3 0 3 0 0 0 0 0 11 0 10 0 11 6 4 0 0 0 3 0 0 4 7 4 3 0 0 3 15 3 0 0 3 5 4 0 0 0 2 3 0 0 0 0 0 -1.4419 17 12 2 3 0 0 0 1 1 3 6 7 437.42 0 0 0 1 1 28 566 0 0 0 0 0 1 0 0 5 0 0 0 0 6 2 1 2 0 0 0 0 0 8 0 9 0 8 4 5 0 0 0 2 0 0 4 4 5 2 0 0 2 13 2 0 0 # 0.927 8.323 34.642 # 3uba_A_700_HC4_424_P_1_A