Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAERVRVRVRKKKKSKRRKILKRIMLLFALALLVVVGLGGYKLYKTINAADESYDALSRGNKSNLRNEVVD-MKKKP--FSILFMGIEDYATKGQKGRSDSLIVVTLDPKNKTMKMLSIPRDTRVQLA--GDTTGSKTKINAAYSKGGKDETVETVENFLQIPIDKYVTVDFDGFKDVINEVGGIDVD-VPFDFDEKSDVDESKRIYFKKGEMHLNGEEALAYARMRKQDKRGDFGRNDRQKQILNALIDRMSSASNIAKIDKIAEKASENVETNIRITE--GLALQQI-----YSGFTSKKIDTLSITGSDLYLGPNNTYYFEPDATNLEKVRKTLQEHLDYTPDTSTGTSGTEDGTDSSSSSGSTGSTGTTTDGTTNGSSYSNDSSTSSNNSTTNSTTDSSY 3PE5 Chain:A ((101-378)) -----------------------------------------------------------------------TLIKDPMVLNIMLFGSDERPGETGYGRSDTMMLLSIDNRNKKLKLTSFMRDTYVNVPEWGDT-----KLTHAYSYGGPALAIETIERNFGIDIDRYAVVYFDTFPGIVDTLGGIEVEMTQTEADVMNESVGPEFANFTEGKNTLNGATALVYVRIR-YGVGDDFGRTQRQRDFMLQVLNKVKGTRDVGTLLTLLTKILPGVTTNISVNEMAGLAGGAISSYMDYPMYQFRLPEDGAFSAVDVDAG-NVLAIDDWDAAREHLQRFIYEDTVDPIYGPSTETYGSEM------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3PE5.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 : 1260 62457 49.57 235.68 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 49.57 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.275

(partial model without unconserved sides chains): PDB file : Tito_3PE5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PE5-query.scw PDB file : Tito_Scwrl_3PE5.pdb: