Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MNAKRAIPVRER----NIVLIGFMGVGKTTIGQLVAKKLYRDFIDIDQQIEKDFN-MSIPEIFEKKGEDFFRKTEKEYILDICHHKRFKIVSLGGGSFKQEEIRNCCLENCLVLHLDLSWENWKQRADLLIESRPVLHNRSMDEMEQLFNERKVIYDKHNSKVATDNLSPEEVADYIVE--TLKIGWDLYQPM------- 3NWJ Chain:A ((82-291)) QQILKKKAEEVKPYLNGRSMYLVGMMGSGKTTVGKIMARSLGYTFFDCDTLIEQAMKGTSVAEIFEHFGESVFREKETEALKKLSLMYHQVVVSTGGGAVIRPINWKYM-HKGISIWLDVP-------LEALAHRIAATYTAALNRLSTIWDARGEAYTKASARVSLENITLKLGYRSVSDLTPAEIAIEAFEQVQSYLEKE

General information: TITO was launched using: RESULT: Template: 3NWJ.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 : 828 -103149 -124.58 -579.49 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -124.58 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.421

(partial model without unconserved sides chains): PDB file : Tito_3NWJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NWJ-query.scw PDB file : Tito_Scwrl_3NWJ.pdb: