Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALTAGIVGLPNVGKSTLFNAITKAGA-EAANYPFATIDPNVGMVEVPDWRLQRLTELVHPKKTVPTTFEFTDIAGIVKGASKGEGLGNQFLSHIRQVDAICHVVRCFDDDNITHVEGRVDPLEDIDTINLELVLADLESINKRYTRVAKVAKTK------DKDAVAELAVLDKIKPVLEEG-KSARTIEFTEEEQKIVKSLFLLTTKPILYVANVSEDDVADADANHYVQEVRNFAAEE--NAEVIVVSARAEEEIAELDEEDKAEFLEALGIEESGLDQLIRAAYDLLGLATYFTAGEQEVRAWTFKKGIKAPQAAGIIHSDFERGFIRAETVSFEDLDHYGNMHAAKEAGRVRLEGKDYVVQDGDVMLFRFNV 1NI3 Chain:A ((20-388)) -NLKTGIVGMPNVGKSTFFRAITKSVLGNPANYPYATIDPEEAKVAVPDERFDWLCEAYKPKSRVPAFLTVFDIAGLTKGASTGVGLGNAFLSHVRAVDAIYQVVRAFDDAEIIHVEGDVDPIRDLSIIVDELLIKDAEFVEKHLEGLRKITSRGANTLEMKAKKEEQAIIEKVY-QYLTETKQPIRKGDWSNREVEIINSLYLLTAKPVIYLVNMSERDFLR-QKNKYLPKIKKWIDENSPGDTLIPMSVAFEERLTNFTEEEAIEECKKLNTK-SMLPKIIVTGYNALNLINYFTCGEDEVRSWTIRKGTKAPQAAGVIHTDFEKAFVVGEIMHYQDLFDYKTENACRAAGKYLTKGKEYVMESGDIAHWK---

General information: TITO was launched using: RESULT: Template: 1NI3.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 : 1626 41904 25.77 116.72 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : 25.77 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.507

(partial model without unconserved sides chains): PDB file : Tito_1NI3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NI3-query.scw PDB file : Tito_Scwrl_1NI3.pdb: