Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNAKRAIPVRERNIVLIGFMGVGKTTIGQLVAKKLYRDFIDIDQQIEKDFNMSIPEIFEKKGEDFFRKTEKEYI-LDICHHKRFKIVSLGGGSFKQEEIRNCCLENCLVLHLDLSWENWKQRADLLIESRPVLHNRSMDE-MEQLFNERKVIYDKHNS-KVATDNLSPEEVADYIVETLKIGWDLYQPM 1WE2 Chain:A ((6-166)) --------------VLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHD--GVLSLGGGAVTSPGVR-AALAGHTVVYLEISAAEGVRRTG-GNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRL----------

General information: TITO was launched using: RESULT: Template: 1WE2.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 : 797 -93812 -117.71 -593.74 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -117.71 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_1WE2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WE2-query.scw PDB file : Tito_Scwrl_1WE2.pdb: