Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAVTESVLESIISPVTM-SEFLEEYWPVKPLVARGEVERFTSIPGFEKVRTLENVLAIYNNPVMVVGDAVIEESEGI-TDRFLVSPAEALEWYEKGAALEFDFTDLFIPQVRRWIEKLKAELRLPAGTSSKAIVYAAKNGGGFKAHFDAYTNLIFQIQGEKTWKLAKNENVSNP-MQHYDLSEAPYYPDDLQSYWKGDPPKEDLPDAEIVNLTPGTM-LYLPRGLWHSTKSDQATLALNITFGQPAWLDLM-LAALRKKLISDNRFRELAVNHQSLHESSKSELNGYLESLIQTLSENAETLTPEQIFQSQDSDFDPYQSTQLVFRQLLTSYKF 1VRB Chain:A ((20-338)) -------VLESIISPVT-MSEFLEEYWPVKPLVARGEVERFTSIPGFEKVRTLENVLAIYNNPV--------------MVVRFLVSPAEALEWYEKGAALEFDFTDLFIPQVRRWIEKLKAELRLPAGTSSKAIVYAAKNGGGFKAHFDAYTNLIFQIQGEKTWKLAKNENVSNPMQHYD-----LSYPDDLQSYWKGDPPKEDLPDAEIV-NLTPGTMLYLPRGLWHSTKSDQATLALNITFGQPAWLDL-MLAALRKKLISDNRFRELAVNHQSLHESSKSELNGYLESLIQTLSENAETLTPEQIFQSQDSDFDPYQSTQLVFRQLLT----

General information: TITO was launched using: RESULT: Template: 1VRB.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 : 1342 21450 15.98 72.22 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.91 3D Compatibility (PKB) : 15.98 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.539

(partial model without unconserved sides chains): PDB file : Tito_1VRB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VRB-query.scw PDB file : Tito_Scwrl_1VRB.pdb: