Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIAIAAITATSILALSACSSGDKEVIAKTDAGDVTKGELYTNMKKT---------------AGASVLTQLVQEKVLDK-----KYKVSDKEIDNKLKEYKTQLGD----QYTALEKQ-YGK--DYLKEQVKYELLTQKAAK---DNIKVTDADIKEYWEGLK----GKIRASHILVADKK-----------TAEEVEKKLK-KGEKFEDLAKEYSTDS-SASKGGDLGWF-AKEGQM---DETFSKAAFKLKTGEVSDPVKTQ-YGYHIIKKTEERGK-YDDMKKELKSEVLEQKLNDNAAVQEAVQKVMKKADIEVKDKDLKDTFNTSSTSNSTSSSSSNSK 3NRK Chain:A ((50-351)) -----------------------LNRVIATVGTVSISELDLDDATEKYNRLQKHLKHEDYRKSFRTRIIDFLIDRAIVDVVAEEESIQVNEQRVDSEIEKRMEVMGITNRKQFEKTMETSSGMPFELWVTELPYQIKKGQLLQLKIAVPPPNEQEIRSWYNQNKDKVGFEIRYRIISIAPENDSIQEENRLYKEVSEIRKSILADPSSFALIAGSPRNDPALRARRGMVEWISS--FDLYKYSKITATIAAPLPNGGVSEVFRDERKRYCILKIEGKRPTPMENLRGGIQNILYRDKE-ED-TFHRWLKESRAEIPIQIFDEAYRKENK----------------

General information: TITO was launched using: RESULT: Template: 3NRK.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 : 861 -53936 -62.64 -216.61 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -62.64 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.606

(partial model without unconserved sides chains): PDB file : Tito_3NRK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NRK-query.scw PDB file : Tito_Scwrl_3NRK.pdb: