** WARNING : will calc matrix < Name of input coord file? [def=hebe.pdb] Name of output MATRIX file [def=../../CSA/PIK_CSA/hebe.pat]? Type 0 to supress matrix calc >>hebe.pdb hebe.vek ../../CSA/PIK_CSA/0 .pat F Coords read from hebe.pdb Number of HETATMs saved = 0 Number of residue names stored in AIREST= 6 AIREST(1)=_ASP A 133 _ Number of residues found = 6 6 Matrix not calculated /LCALC=.false. Input name or prefix of .vek file to be searched [def=hebe] user.vek ../../CSA/PIK_CSA/ NAME OF OUTPUT *LP FILE [def=user.LPj FILNAS=user.SUMAj FILMAS = ../../CSA/MASTER.PATTERNS **** PIK CSA patterns 1d6o_00 source 1d6o FK506-BINDING PROTEIN : 8 hits 1d6o_00 naa= 3 1d6o_01 source 1d6o FK506-BINDING PROTEIN : 8 hits 1d6o_01 naa= 3 1ze1_00 source 1ze1 TRNA PSEUDOURIDINE SYNTHASE B : 4 hits 1ze1_00 naa= 2 1ze1_01 source 1ze1 TRNA PSEUDOURIDINE SYNTHASE B : 4 hits 1ze1_01 naa= 2 1ze1_02 source 1ze1 TRNA PSEUDOURIDINE SYNTHASE B : 4 hits 1ze1_02 naa= 2 1ze1_03 source 1ze1 TRNA PSEUDOURIDINE SYNTHASE B : 4 hits 1ze1_03 naa= 2 - END Of RUN - Give name of ASP output .LPA file [def= @] Select only right-h,only left? [R*/L] Input name of output file [def=user.LPS Input name of output SUM file [def=user.SUMS "was source of" line not found at start of file Not a PDB file : 0# Give ID of hit protein to extract [def=*=all] Give min clique size to extract [def= 2 ] Accept SITE record definitions of distance? [y/N*] SITE thing not working yet! <********* Maximum RMS to accept? [def=1.8] Output coord line info to output [y/N*] Maximum number of hits to output? [def=ALL] %% 1d6o RMSE R , L 1.65 0.70 Analysing 25 hits LKKonly = F In ascending order of RMS: correct hand only 1d6o_00 FK506-BINDING PROTEIN : 0.03 < 1d6o_01 FK506-BINDING PROTEIN : 0.07 < 1d6o_00 FK506-BINDING PROTEIN : 0.30 < 1d6o_01 FK506-BINDING PROTEIN : 0.30 < 1d6o_00 FK506-BINDING PROTEIN : 1.08 < 1d6o_01 FK506-BINDING PROTEIN : 1.09 < 1d6o_00 FK506-BINDING PROTEIN : 1.14 < 1d6o_01 FK506-BINDING PROTEIN : 1.14 < 1d6o_01 FK506-BINDING PROTEIN : 1.18 < 1d6o_00 FK506-BINDING PROTEIN : 1.22 < 1d6o_01 FK506-BINDING PROTEIN : 1.26 < 1d6o_00 FK506-BINDING PROTEIN : 1.29 < 1ze1_02 TRNA PSEUDOURIDINE SYNTHASE B : 0.70 1ze1_01 TRNA PSEUDOURIDINE SYNTHASE B : 0.70 1ze1_03 TRNA PSEUDOURIDINE SYNTHASE B : 0.72 1ze1_00 TRNA PSEUDOURIDINE SYNTHASE B : 0.73 1ze1_01 TRNA PSEUDOURIDINE SYNTHASE B : 0.86 1ze1_02 TRNA PSEUDOURIDINE SYNTHASE B : 0.88 1ze1_00 TRNA PSEUDOURIDINE SYNTHASE B : 0.89 1ze1_03 TRNA PSEUDOURIDINE SYNTHASE B : 0.89 1ze1_02 TRNA PSEUDOURIDINE SYNTHASE B : 0.89 1ze1_01 TRNA PSEUDOURIDINE SYNTHASE B : 0.89 1ze1_00 TRNA PSEUDOURIDINE SYNTHASE B : 0.90 1ze1_03 TRNA PSEUDOURIDINE SYNTHASE B : 0.91 1ze1_01 TRNA PSEUDOURIDINE SYNTHASE B : 1.50 nhit selected = 25 of 25 of 32 Give name of ASP output .LPA file [def=Cu@] Select only right-h,only left? [R*/L] Input name of output file [def=user.LPL Input name of output SUM file [def=user.SUML "was source of" line not found at start of file Not a PDB file : PFu Give ID of hit protein to extract [def=*=all] Give min clique size to extract [def= 2 ] Accept SITE record definitions of distance? [y/N*] SITE thing not working yet! <********* Maximum RMS to accept? [def=1.8] Output coord line info to output [y/N*] Maximum number of hits to output? [def=ALL] %% 1d6o RMSE R , L 1.65 0.70 Analysing 28 hits LKKonly = F In ascending order of RMS: hand inverted only 1d6o_00 FK506-BINDING PROTEIN : 0.68 < 1d6o_00 FK506-BINDING PROTEIN : 0.70 < 1d6o_01 FK506-BINDING PROTEIN : 0.72 < 1d6o_01 FK506-BINDING PROTEIN : 0.75 < 1d6o_01 FK506-BINDING PROTEIN : 0.92 < 1d6o_00 FK506-BINDING PROTEIN : 0.94 < 1d6o_01 FK506-BINDING PROTEIN : 1.00 < 1d6o_00 FK506-BINDING PROTEIN : 1.03 < 1d6o_00 FK506-BINDING PROTEIN : 1.22 < 1d6o_00 FK506-BINDING PROTEIN : 1.24 < 1d6o_01 FK506-BINDING PROTEIN : 1.24 < 1d6o_01 FK506-BINDING PROTEIN : 1.26 < 1d6o_01 FK506-BINDING PROTEIN : 1.33 < 1d6o_00 FK506-BINDING PROTEIN : 1.35 < 1d6o_01 FK506-BINDING PROTEIN : 1.39 < 1d6o_00 FK506-BINDING PROTEIN : 1.41 < 1ze1_02 TRNA PSEUDOURIDINE SYNTHASE B : 0.54 1ze1_01 TRNA PSEUDOURIDINE SYNTHASE B : 0.54 1ze1_00 TRNA PSEUDOURIDINE SYNTHASE B : 0.56 1ze1_03 TRNA PSEUDOURIDINE SYNTHASE B : 0.57 1ze1_01 TRNA PSEUDOURIDINE SYNTHASE B : 0.78 1ze1_03 TRNA PSEUDOURIDINE SYNTHASE B : 0.79 1ze1_00 TRNA PSEUDOURIDINE SYNTHASE B : 0.80 1ze1_02 TRNA PSEUDOURIDINE SYNTHASE B : 0.81 1ze1_02 TRNA PSEUDOURIDINE SYNTHASE B : 0.88 1ze1_01 TRNA PSEUDOURIDINE SYNTHASE B : 0.88 1ze1_03 TRNA PSEUDOURIDINE SYNTHASE B : 0.91 1ze1_00 TRNA PSEUDOURIDINE SYNTHASE B : 0.91 nhit selected = 28 of 28 of 32