Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence METFKSILHEAQRIVVLTGAGMSTESGIPDFRSAGGIWTE--D-----ASRMEAMSLDYFLSYPRLFWPKFKELFQMKMSGSFEPNEGHLLLAELEKQGKQVDIFTQNIDGLHKKAGSRHVYELHGSIQTAACPACGARYD-LPH---L-LEREVPECTAAGNNGDICGT-----VLKTDVVLFGDAVMH-FDTLYE-KLDQADLLLVIGTSLEVAPARFVPEDASLIPGMKKVIINLEPTYCDSLFDMVIHQKIGEFARSLGMKK 4KXQ Chain:A ((14-262)) IEDAVKLLQECKKIIVLTGAGVSVSCGIPDFRSRDGIYARLAVDFPDLPDPQAMFDIEYFRKDPRPFFKFAKEIYP----GQFQPSLCHKFIALSDKEGKLLRNYTQNIDTLEQVAGIQRIIQCHGSFATASCLICKYKVDCEAVRGDIFNQ-VVPRC-P------RCPADEPLAIMKPEIVFFGENLPEQFHRAMKYDKDEVDLLIVIGSSLKVRPVALIPSSIP--HEVPQILINREPLPH-LHFDVELLGDCDVIINELCH--

General information: TITO was launched using: RESULT: Template: 4KXQ.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 : 1189 -149996 -126.15 -652.16 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -126.15 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.504

(partial model without unconserved sides chains): PDB file : Tito_4KXQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KXQ-query.scw PDB file : Tito_Scwrl_4KXQ.pdb: