Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDNKYHLVGQIDLENLNKIIIPVTKNVFNSRISEIKRFPTGSCHFVYDAVLESWENLVFRIGYSDSNK--AKIGWSVFWHGK---------LKELGIKIPALLYHDVSCIEYGKPFTVSERIRWDDIWNAIDSLTDENLDLIAKEIAGIQNRISTLEPWRWFWEMTSYDDANLKGKWREFVLEKFEKAKMA-LSEGGIFDDSY----IERVREALDRNSWYLENVKGTMFFDDITSKNIIVDNSEFSWVVDFDTMTCWDRLYWLGLCNMAFIYLEREIYISYLIRYLGCSEDDISAMNLYTLLFCLDFMSEIGQKFNKEEAIIDYIKAERYKSIFERICNNIK 1ND4 Chain:A ((10-264)) -----------------------------GSPAAWVERLFG-YDWAQQTIGCS-DAAVFRLSAQGRPVLFVKTDLSGALNELQDEAARLSWLATTGVPCAAVL--DVVTEA-GRDWLLLGEVPGQDL-----LSSHLAPAEKVSIMADAMRRLHTLD-----PATCPFD------HQAKHRIERARTRMEAGLVDQDDLDEEHQGLAPAELFARLKARMP--DGEDLVVTHGDACLPNIMVENGRFSGFIDCGRLGVADRYQDIALATRDIAEELGGEWADRFLVLYGIAAPDSQRIAFYRLL--DEFF----------------------------------

General information: TITO was launched using: RESULT: Template: 1ND4.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 : 1103 -31635 -28.68 -132.36 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -28.68 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.270

(partial model without unconserved sides chains): PDB file : Tito_1ND4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1nd4-query.scw PDB file : Tito_Scwrl_1ND4.pdb: