Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNAKRAIPVRERNIVLIGFMGVGKTTIGQLVAKKLYRDFIDIDQQIEKDFNMSIPEIFEKKGEDFFRKTEKEYI-LDICHHKRFKIVSLGGGSFKQEEIRNCCLENCLVLHLDLSWENWKQRADLLIESRPVLHNRSMDE-MEQLFNERKVIYDKHNS-KVATDNLSPEEVADYIVETLKIGWDLYQPM 1L4U Chain:A ((6-166)) --------------VLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHD--GVLSLGGGAVTSPGVR-AALAGHTVVYLEISAAEGVRRTG-GNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRL----------

General information: TITO was launched using: RESULT: Template: 1L4U.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 : 729 -93009 -127.58 -588.66 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -127.58 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_1L4U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1L4U-query.scw PDB file : Tito_Scwrl_1L4U.pdb: