Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MERTTNFNAGPAALPLEVLQKAQKEFIDFNESGMSVMELSHRSKEYEAVHQKAKSLLIELMGIPEDYDILFLQGGASLQFSMLPMNFLTPEKTAHFVMTGAWSEKALAETKLFGNTSITATSETDNYSYIPEVDLTDVKDG-AYLHITSNNTIFGTQWQEFPN-SPIPLVADMSSDILSRKIDVSKFDVIYGGAQKNLGPSGVTVVIMKKSWLQNENANVPKILKYSTHVKADSLYNTPPTFAIYMLSLVLEWLKENGGVEAVEQRNEQKAQVLYSCIDESNGFYKGHARKDSRSRMNVTFTLRDDELTKTFVQKAKDAKMIGLGGHRSVGGCRASIYNAVSLEDCEKLAAFMKKFQQENE 2BI5 Chain:A ((1-358)) VKQVFNFNAGPSALPKPALERAQKELLNFNDTQMSVMELSHRSQSYEEVHEQAQNLLRELLQIPNDYQILFLQGGASLQFTMLPMNLLTKGTIGNYVLTGSWSEKALKEAKLLGETHIAASTKANSYQSIPDFSEFQLNENDAYLHITSNNTIYGTQYQNFPEINHAPLIADMSSDILSRPLKVNQFGMIYAGAQKNLGPSGVTVVIVKKDLLNTKVEQVPTMLQYATHIKSDSLYNTPPTFSIYMLRNVLDWIKDLGGAEAIAKQNEEKAKIIYDTIDESNGFYVGHAEKGSRSLMNVTFNLRNEELNQQFLAKAKEQGFVGLNGHRSVGGCRASIYNAVPIDACIALRELMIQFKE---

General information: TITO was launched using: RESULT: Template: 2BI5.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 : 2038 -208951 -102.53 -586.94 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.90 3D Compatibility (PKB) : -102.53 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.580

(partial model without unconserved sides chains): PDB file : Tito_2BI5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BI5-query.scw PDB file : Tito_Scwrl_2BI5.pdb: