Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----MLH-F-TFLGTSSGVPTLSRNVSGLAVRNSKNKDWILVDAGEGTQHRIQQARLSLQNLIAICITHVHGDHCYGLVGLLASAGMNARN----NPLIVIAPKEIQQWFEITAQLTDLHLPYSIKFIDVNEATRPQQLTDELFIQAHPLSHRVPSFA-FSIYIKSTQKKIDIQALTQLGIPKGDIWGHLKRGYDVEFEGRILKSQDFIKIQNQQIHAIIGGDNDRPELLADACKDAQLLIHEAT-YLQTVLDKVGKGPMHS-SAKMVAEFAEQQSLDNLILTHFSPRHQDKTGQQAIIEEVRQFYKGHFYLANDFDEFTLNETGQLLKIE 1ZKP Chain:A ((18-268)) LYFQSNAMKMTVVGFWGGFPEAGEATSGYLFEH--DGFRLLVDCGSGVLAQLQKY-ITPSDIDAVVLSHYHHDHVADIGVLQYARLITSATKGQLPELPIYGHTFDENGFH------SLTHEPHTKGIPYNPEE--TLQIGPFSISFLKTVHPVTCFAMRITA--------------------------------------------------GNDIVVYSADSSYIPEFIPFTKDADLFICECNMYAHQEAAKA-----GHMNSTEVASIAKDANVKELLLTHLPHTGNP----ADLVTEAKQIFSGHITLAHSGYVWNS----------

General information: TITO was launched using: RESULT: Template: 1ZKP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1427 1179 0.83 4.95 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 0.83 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.424

(partial model without unconserved sides chains): PDB file : Tito_1ZKP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ZKP-query.scw PDB file : Tito_Scwrl_1ZKP.pdb: