# EXCLUDED_RESIDUES HETATM # PDBID_LIST 2qpk # POINT_FILE 2qpk_SHA.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_2qpk_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 2 0 0 0 0 0 0 0 0 0 0 0 -0.4155 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 4 41 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 2 5 1 2 0 0 2 0 1 0 0 0 0 -2.0953 13 8 4 1 0 0 0 3 1 0.5 3 1 332.94 0.666 0.666 0 1.666 -1 37 193 0 0 0 0 0 5 2 0 3 0 3 0 0 0 0 0 0 0 0 0 0 0 3 2 8 0 3 5 3 2 0 0 8 0 3 0 0 2 0 0 0 8 5 0 0 0 2 4 2 4 0 0 0 4 1 0 1 0 0 -3.8349 18 8 4 5 1 0 0 4 0 4.5 2 8 378.411 0.333 0.333 0 0.333 -5 27 319 0 0 0 0 0 9 3 0 2 1 2 0 1 0 0 0 0 0 0 0 0 0 4 3 11 0 4 9 2 3 0 0 12 0 3 0 0 3 0 0 0 12 6 0 0 0 8 14 1 3 0 0 1 7 1 0 0 0 0 -2.3039 35 23 4 8 0 0 0 3.5 0.5 7.5 2 22 921.326 0.333 0.333 0 0.833 -3 29 624 1 4 0 2 0 8 4 2 4 2 3 0 4 0 0 0 0 0 0 1 0 0 11 10 12 2 11 10 8 6 0 2 20 0 3 0 5 4 1 0 0 22 12 1 0 0 # 7.669 5.166 23.799 # 2qpk_A_616_SHA_105_Q_1_A Env_2qpk_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 0 0 0 0 0 -0.0073 3 2 0 1 0 0 0 0 0 1 0 3 78.514 0 0 0 0 -1 0 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 1 2 4 2 0 0 0 1 2 0 0 0 0 -2.9002 12 7 2 3 0 0 0 2 0 2 4 4 255.783 0.999 0.999 0 0.999 -1 21 158 0 0 0 4 0 1 0 0 3 0 0 0 0 4 0 0 0 0 0 0 0 0 4 4 4 0 4 1 3 4 0 4 5 0 0 0 0 0 3 0 0 9 0 3 0 0 6 8 6 3 1 0 1 5 0 0 0 0 0 -1.401 30 20 5 5 0 0 0 4 1 5 6 18 761.271 0.666 0 0.666 1.166 -2 39 505 0 4 0 5 0 4 0 2 4 0 0 0 0 7 0 0 2 0 0 2 0 0 9 9 10 2 9 8 8 5 0 8 15 0 0 0 2 0 5 0 0 23 2 5 0 0 5 16 5 9 3 0 2 3 0 0 0 0 0 -5.2915 43 26 14 3 0 0 0 10.5 3.5 3 6 20 1089.75 0.666 0 0.666 1.666 -7 69 704 0 8 0 1 0 3 0 1 5 4 6 0 0 7 0 0 4 0 0 4 0 0 21 9 12 1 21 8 13 1 0 8 31 0 0 0 3 0 1 0 0 39 3 1 0 0 # 8.512 -2.431 23.99 # 2qpk_A_616_SHA_108_D_1_A Env_2qpk_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 39 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 26 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 0 0 0 1 0 0 0 0 0 -0.5753 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 1 54 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 1 1 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 2 7 1 2 3 0 0 0 2 0 0 0 0 -3.9734 17 10 5 2 0 0 0 3 2 1 0 3 445.515 1.665 0.666 0.999 1.665 -2 48 513 0 7 0 2 0 4 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 2 9 6 0 2 4 9 2 0 0 9 0 0 0 7 1 0 0 0 9 8 0 0 0 6 7 0 4 0 0 0 5 1 0 0 0 0 -1.318 23 13 4 6 0 0 0 4 0 5.5 0 16 537.923 0.999 0.999 0 0.999 -7 15 452 1 4 0 8 0 3 0 0 2 4 1 0 0 0 0 0 0 0 0 0 0 0 6 12 5 0 6 3 6 8 0 0 16 0 0 0 5 2 0 0 0 16 7 0 0 0 5 9 3 4 0 0 1 2 2 0 0 0 0 -2.7981 26 17 5 4 0 0 0 4.5 0.5 3 4 10 674.453 0.999 0.999 0 1.499 0 40 470 2 0 0 4 0 2 4 2 3 2 3 0 0 2 0 0 0 0 0 2 0 0 11 8 5 2 11 4 3 8 0 0 16 0 0 0 3 5 2 0 0 16 8 2 0 0 # 4.794 1.863 24.212 # 2qpk_A_616_SHA_109_H_1_A Env_2qpk_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 21 300 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 0 0 6 0 0 0 0 6 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 50 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 0 0 0 1 0 0 0 0 1 0 0 2 7 1 2 3 0 0 1 0 0 0 0 0 -1.4013 16 10 5 1 0 0 0 3 2 1 0 7 431.374 0.999 0 0.999 0.999 -3 30 656 2 6 0 0 0 0 0 0 0 0 0 0 0 3 5 0 0 0 0 0 0 0 10 6 0 0 10 0 6 0 0 0 0 0 0 0 6 0 10 0 0 0 6 10 0 0 3 6 1 3 0 0 0 2 2 0 0 0 0 -2.6686 17 10 3 4 0 0 0 3 0 3 1 9 408.853 0.999 0.999 0 0.999 -2 16 671 5 1 0 5 0 0 0 0 0 0 0 0 0 4 1 0 0 0 0 1 0 0 11 6 0 0 11 0 1 5 0 0 0 0 0 0 4 4 9 0 0 0 8 9 0 0 4 7 2 3 0 0 0 6 0 0 0 0 0 -3.0112 22 13 3 6 0 0 0 3 0 6 2 15 527.085 0 0 0 0 -3 14 989 3 2 2 3 0 0 1 0 1 1 0 0 0 5 1 0 0 0 0 3 0 0 13 6 3 0 13 2 3 4 0 0 1 0 1 3 7 5 5 0 0 1 16 5 0 0 # 0.717 -2.045 29.602 # 2qpk_A_616_SHA_113_F_1_A Env_2qpk_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 42 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 19 168 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 4 0 0 0 0 1 2 0 0 0 0 -2.3664 8 5 0 3 0 0 0 0 0 2 4 1 167.478 0.666 0.666 0 0.666 0 17 198 0 0 0 3 0 0 0 0 2 0 0 0 0 3 0 0 0 0 0 0 0 0 3 3 2 0 3 0 2 3 0 0 2 0 0 0 0 2 4 0 0 2 2 4 0 0 3 5 3 2 0 0 2 1 0 0 0 0 0 -0.4507 16 11 4 1 0 0 0 3 1 1 5 7 409.196 0.333 0.333 0 1.333 0 24 403 0 2 0 2 0 0 0 0 8 0 0 0 0 4 0 0 0 0 0 0 0 0 4 4 8 0 4 0 10 2 0 0 8 0 0 0 2 1 5 0 0 8 3 5 0 0 2 5 2 4 0 0 0 1 1 0 0 0 0 -3.2174 15 9 4 2 0 0 0 4 0 1.5 2 9 369.791 0.333 0.333 0 0.333 -1 17 364 1 2 0 7 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 2 0 0 6 9 0 0 6 0 2 7 0 0 4 0 0 0 2 3 6 0 0 4 5 6 0 0 7 10 0 3 0 0 0 5 3 0 0 0 0 -1.712 28 17 3 8 0 0 0 3 0 6.5 0 17 686.1 1.665 1.665 0 1.665 -6 21 875 2 2 1 13 0 1 0 0 0 0 3 0 0 5 0 0 0 0 0 1 0 0 11 15 2 0 11 2 2 13 0 0 10 0 0 1 7 4 6 0 0 10 12 6 0 0 # 2.786 -1.1 26.06 # 2qpk_A_616_SHA_255_R_1_A Env_2qpk_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 11 114 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 38 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 3 0 0 0 0 0 1 0 0 0 0 0 -0.0141 5 4 0 1 0 0 0 0 0 1 0 3 145.534 0 0 0 0 1 3 164 0 0 0 0 0 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 1 0 0 1 0 4 0 0 0 0 1 0 0 4 0 0 0 0 5 0 0 0 0 2 2 3 0 0 0 0 0 0 0 0 0 -2.1749 7 4 3 0 0 0 0 3 0 0 2 3 172.765 0 0 0 0 0 12 119 0 0 0 0 0 4 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 1 4 0 2 4 0 1 0 0 1 0 5 0 0 1 0 0 0 1 6 0 0 0 4 5 4 1 0 0 0 5 0 0 0 0 0 -2.9436 19 13 1 5 0 0 0 1 0 5 4 6 457.769 0 0 0 0 2 44 255 0 1 0 0 0 7 0 0 0 0 3 0 0 6 0 2 0 0 0 0 0 0 9 1 9 0 9 9 1 0 0 0 4 0 9 1 5 0 0 0 0 4 15 0 0 0 3 13 7 3 0 0 2 3 0 0 0 0 0 -3.1779 31 23 5 3 0 0 0 4 1 3 9 12 833.916 0 0 0 1 8 53 437 1 3 0 0 0 1 0 0 3 1 10 0 0 11 0 1 0 0 0 0 0 0 23 3 5 0 23 2 6 0 0 5 8 0 4 3 11 0 0 0 0 13 18 0 0 0 # 7.169 7.656 27.676 # 2qpk_A_616_SHA_258_E_1_A Env_2qpk_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 21 114 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 38 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 9 1 3 0 0 0 2 0 0 0 0 0 -0.6054 18 13 3 2 0 0 0 3 0 2 1 10 494.04 0 0 0 0 2 13 625 0 0 0 0 0 0 6 0 0 0 0 0 0 3 7 2 0 0 0 0 0 0 10 6 2 0 10 2 0 6 0 0 2 0 1 1 8 6 0 0 0 2 16 0 0 0 6 8 2 3 0 0 0 5 0 0 2 0 0 -0.6004 26 16 3 5 2 0 1 3 0 5 2 17 656.232 0.333 0.333 0 0.333 -6 17 455 0 1 1 0 3 4 1 0 0 0 0 0 0 10 4 2 0 0 0 0 0 0 14 2 10 0 14 10 1 1 0 0 5 0 4 5 6 1 5 0 0 5 16 5 0 0 2 8 5 7 0 0 0 4 2 1 0 0 0 -7.7443 29 15 7 7 0 0 1 7 0 5 5 16 662.421 0.666 0.666 0 0.666 -7 36 734 1 2 0 0 3 4 2 0 0 1 1 0 0 9 3 2 1 0 0 0 0 0 15 4 10 0 15 10 2 2 0 1 4 0 4 5 9 2 4 0 0 5 20 4 0 0 # 2.056 9.714 31.096 # 2qpk_A_616_SHA_381_F_1_A Env_2qpk_7 0 1 0 1 0 0 0 0 0 0 0 0 0 -0.2617 2 1 1 0 0 0 0 1 0 0 0 1 47.647 0 0 0 0 0 1 122 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 1 3 0 0 0 0 0 0 0 0 0 0 0 0.6011 4 4 0 0 0 0 0 0 0 0 0 2 134.04 0 0 0 0 1 3 244 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 4 0 0 0 1 1 2 1 0 0 0 2 0 0 0 0 0 -1.2416 7 4 1 2 0 0 0 1 0 2 2 5 157.187 0 0 0 0 -1 9 320 0 0 0 0 0 3 0 0 0 0 0 0 0 2 1 0 1 0 0 0 0 0 3 0 4 0 3 4 0 0 0 0 0 0 0 0 4 0 3 0 0 0 4 3 0 0 0 3 2 2 0 0 0 1 0 1 0 0 0 -2.573 9 5 2 2 0 0 1 2 0 1 2 3 220.789 0 0 0 0 -1 15 452 0 0 0 0 0 3 0 0 0 0 0 0 0 3 0 0 3 0 0 0 0 0 3 0 6 0 3 6 0 0 0 0 0 0 0 1 5 0 3 0 0 0 6 3 0 0 3 4 5 1 0 0 0 1 0 0 0 0 0 0.356 14 12 1 1 0 0 0 1 0 1 5 4 373.933 0 0 0 0 6 26 345 0 0 0 0 0 2 0 0 2 0 0 0 0 6 3 0 1 0 0 0 0 0 9 0 5 0 9 3 2 0 0 0 3 0 0 4 3 2 2 0 0 3 9 2 0 0 1 8 5 1 0 0 0 2 1 0 0 0 0 -2.3634 18 14 1 3 0 0 0 1 0 2.5 5 6 473.573 0.333 0.333 0 0.333 4 29 510 0 0 0 0 0 1 2 0 5 0 0 0 0 6 2 0 2 0 0 0 0 0 8 2 8 0 8 3 5 2 0 0 2 0 1 5 3 6 1 0 0 2 15 1 0 0 # 1.872 7.483 34.906 # 2qpk_A_616_SHA_424_P_1_A