Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------MSEKLQKVLARIGLG-SRRYMEEVIAAGRVSVNGRVA-QVGERIEPGDELRIDGRKVQFQIED------EIRRRVLIYYKPEGEICSRNDPEKRPTV----FDHLPQIAN-DRWVMVGRLDINSTGLLLFTNDGELANRLMHPS--NEIEREYAVRVMGEVTPQLRQNMVNGVELEDGPAKFESFSEIGGEGINRWYQVVVKEGRNREVRRIFESQGLKVSRLLRTRYGTVILPRELRTGRWMELDKTDIDNLAKSVELKPRQ--GTGLFGMAKRRTERMTEK--PMAARRGGYLRQQRRDDEKEAPANTGNQRKSTGFNRGFKKF 2IST Chain:A ((1-324)) AQRVQLTATVSENQLGQRLDQALAEMFPDYSRSRIKEWILDQRVLVNGKVCDKPKEKVLGGEQVAINAEIERFEPQDIPLDIVYEDEDIIIINKPRDLVVHPGAGNPDGTVLNALLHYYPPIADVPRAGIVHRLDKDTTGLMVVAKTVPAQTRLVESLQRREITREYEAVAIGHMTAG--GTVDEPISRHPTKRTHMAVHPMGKPAVTH-YRIMEHFRVHTRLRLRLETGRTHQIRVHMAHITHPLVGDPVYGGRPRPPKGAS-EAFISTLRKFDRQALHATMLRLYHPISGIEMEWHAPIPQDMVELIEVMRADFEEHKDEVDW---------------

General information: TITO was launched using: RESULT: Template: 2IST.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 : 1425 88020 61.77 305.62 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 61.77 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.369

(partial model without unconserved sides chains): PDB file : Tito_2IST.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IST-query.scw PDB file : Tito_Scwrl_2IST.pdb: