Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRSHSVVCIGELLIDFFCTDVDVDLMEGRQFLKSAGGAPANVSAAIAKLGGDAAFSGKVGKDPFGYFLKRTLDAVHVDTSMLVMDEKAPTTLAFVSLKQNGERDFVFNRGADALFTLEDIDQEKLNEAKILHFGSATALLSDPFCSAYLRLMSIAKDNGQFISFDPNYREDLWRGRVSEFVSVAKKAIAVSDFVKVSDEELEIISGVKDHEKGVAILHEIGANIVAVTLGKSGTLLSNGKDREIIPSIPVTSIDSTGAGD---AFVGAALYQ--LANTDQIQSVDADFVKLREIVAFANKVGALVCTKIGAIDALPSLDEIGVSL 4WJM Chain:A ((8-304)) -----ILCCGEALIDMLPRETTGGETAFQPF---AGGSVFNTAIALGRLGVPTGFFSGISSDFFGDVLRDTLARSNVDYSFAAISNR-PTTLAFVRL-VDGQARYAFYDENTAGRMLSRNDMPYVDETISAMLFGCISLISEPCGSVYETLLAREAPN-RVMFLDPNIRANLITVRKTHLTRM-KRMIALADIVKLSDEDLDWFGEKGSHDEIAAEWLKLGPKLVVITKGAHGAVAYTNHATVPVPGVKVDVVDTVGAGDTVNAGILASLHSQGLLTKDALANLSED--QIHSAVALGVRAAAVTVSRAGA--------------

General information: TITO was launched using: RESULT: Template: 4WJM.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 : 1677 -201837 -120.36 -691.22 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -120.36 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_4WJM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WJM-query.scw PDB file : Tito_Scwrl_4WJM.pdb: