Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQKGRGLEILINEKQDGQWLFSVLKTALK-ASKPVIQDWMSHQQIKVN-------HESVLNNMIVKKGDRVFIDLQESEASSVIPEYGELDILFEDNHMLIINKPAGIATHPNEDGQTGTLANLIAYHYQINGETCKVRHVHRLDQDTSGAIVFAKHRLAHAILDQQLEKKTLKRTYTAIAEGKLRTKKGTINSPIGRDRSHPTRRR---VSPGGQTAVTHFKVMAS-NAKERLSLVELELETGRTHQIRVHLASLGHPLTGDSLYGGGSKL--------------LNRQALHANKVQAVHPITDELIVAEAPFPADMKNLCRTYFS 2IST Chain:A ((10-308)) -----------VSENQLGQRLDQALAEMFPDYSRSRIKEWILDQRVLVNGKVCDKPKEKVLG------GEQVAINAEIE---RFEPQDIPLDIVYEDEDIIIINKPRDLVVHPGAGNPDGTVLNALLHYYPPIADVPRAGIVHRLDKDTTGLMVVAKTVPAQTRLVESLQRREITREYEAVAIGHM-TAGGTVDEPISR---HPTKRTHMAVHPMGKPAVTHYRIMEHFRVHTRL---RLRLETGRTHQIRVHMAHITHPLVGDPVYGGRPRPPKGASEAFISTLRKFDRQALHATMLRLYHPISGIEMEWHAPIPQDMVELI-----

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 : 1363 -116743 -85.65 -432.38 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -85.65 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.412

(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: