Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKGPDMQAIILDTETHTLNG--L-PIEIAYAPIEINAGKLTLDKSKLFDQLYQV--GTPISYAAMAVHHILESDLE-NQPHYKTFK----LPDT---------TTYIIGHNIDYDIAAIARC----GVD---VSHIKPICTLALTRKTWPDAEAHNISALIYMISQGSSKARELLKGAHRADADIILTANILMHIVYHLNIHDIEELYRVSEEARIPTTINFGKHKGTAIAELPKDYIQWLLRQDELDVYLRKALESAF 2IS3 Chain:D ((15-204)) ----RGFYPVVIDVETAGFNAKTDALLEIAAITLKMDEQG-WLMPDTTLHFHVEPFVGANLQPEALAFNGIDPNDPDRGAVSEYEALHEIFKVVRKGIKASGCNRAIMVAHNANFDHSFMMAAAERASLKRNPFHPFATFDTAALAGLALG---QTVLSKACQTAGMDFD-----STQAHSALYDTERTAVLFCEIVNRWKRL---------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2IS3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 726 -50947 -70.17 -310.65 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain D : 0.63 3D Compatibility (PKB) : -70.17 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.438

(partial model without unconserved sides chains): PDB file : Tito_2IS3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IS3-query.scw PDB file : Tito_Scwrl_2IS3.pdb: