Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRASTVTIKTEQDLEKLRVSGRLAAQVLEMIGEYVKPGVTTEYLDNICNDYIVNTLKVIPANVGYHGFTKTICISVNEVVCHGIPSQNKILKDGDIINIDVAIIKDGYFGDTSRMYYVGNVNPHAKKLVETTYEAMVAGIHAVKPGATLGDIGYAIQSVAHREGYSIVREYCGHGIGKVYHEQPNILHYGQRGQGLVLKKGMVFTIEPMVNAGKPQVKELNDGWTVITQDHSLSAQWEHMVAVTDTGFELLTPWPEGVGNYPEI 3TB5 Chain:B ((2-246)) -----ITLKSPREIEMMDESGELLADVHRHLRTFIKPGITSWDIEVFVRDFI-ESHGGVAAQIGYEGYKYATCCSINDEICHGFP-RKKVLKDGDLIKVDMCVDLKGAISDSCWSYVVGESTPEIDRLMEVTKKALYLGIEQAQVGNRIGDIGHAIQTYVEGEGYGVVRDFVGHGIGPTIHESPMIPHYGEAGKGLRLKEGMVITIEPMVNTGTWRMKMDPNGWTAYTEDGGLSCQYEHSLAITKEGPRILT------------

General information: TITO was launched using: RESULT: Template: 3TB5.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1476 -163847 -111.01 -668.76 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -111.01 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.594

(partial model without unconserved sides chains): PDB file : Tito_3TB5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TB5-query.scw PDB file : Tito_Scwrl_3TB5.pdb: