Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNSTSTPNTGLSYKDAGVDIEAGDALVDRIKSVAKRTTRPEVMGGLGGFGALCKIPKGYEEPVLVSGTDGVGTKLRLALNLNRHDTIGQDLVAMCVNDLLVCGAEPLFFLDYYATGHLNVDVAANVVTGIGKGCELAGCALVGGETAEMPGMYEGEDYDLAGFAVGVVEQSKIIDGSKVKSGDVLIGVASSGAHSNGYSLLRKILDVKNVDLTQVIDGRPLADVAMEPTRIYVKPVLELCKQVDVHAMAHITGGGLPGNLPRVLPNGAQAVINEASWEWPELFKLLQREGNVERFEMYRTFNCGVGMVIAVDANDAEKAIEVLNAQGEKAWKIGHIQENAESVEGADEKIRVIFE 3P4E Chain:A ((21-340)) ---------------------DAGNALVERIKGAVKRTRRPEVMG------ALCELPTKYKHPVLVSGTDGVGTKLRLALDMKKHDTIGIDLVAMCVNDLIVQGAEPLFFLDYYATGKLDVDTAAEVISGIADGCLQAGCALIGGETAEMPGMYEGEDYDVAGFCVGVVEKEEIIDGSKVQVGDALIAVGSSGPHSNGYSLVRKILEVSKADKNERLAGKTIGEHLLAPTKIYIKSGLKLIAEHDIHAISHITGGGFWENIPRVLPEGTKAVIDGKSWEWPVIFQWLQEKGNVTTHEMYRTFNCGVGLIIALPKDQANAAVALLQAEGETAWVIGEIAAAN---------------

General information: TITO was launched using: RESULT: Template: 3P4E.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 : 1794 -220599 -122.96 -702.54 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -122.96 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.592

(partial model without unconserved sides chains): PDB file : Tito_3P4E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3P4E-query.scw PDB file : Tito_Scwrl_3P4E.pdb: