Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVLVIMDPIETVNLKKDSTMAMLWAASRRGHELGYALQQDLYIDQGKAYGLISPLKVFEDYNHYYELGEKKKESIAAYDVVLMRKDPPFDMNFVYTTYVLEQAEREGSWIINKPQSLRDCNEKLFATQFPE----LQVPTLVTSQQSLIREFITE-H-GDVIVKPLDGMGGMGIFRLYQDGVNIGSTLEMLTELGTRPIMAQRYIPEIVEGDKRILMVNGEPIPYCLARIPQNGEVRGNLAAGGLGQARPLTENDKLIAAKVGPFLREKGLVFVGLDVIGN----YVTEINVTSPTCIREIDAQFGTSIADDLFDVLEAGRPA 4IWY Chain:A ((21-309)) MKIAILSRDGT-----LYSCKRLREAAIQRGHLVEILDPLSCYMNINPAASSI-----------HYK-----GRKLPHFDAVIPRIGTAITF---YGTAALRQFEMLGSYPLNESVAIARARDKLRSMQLLARQGIDLPVTGIAHSPDDTSDLIDMVGGAPLVVKLVEGTQGIGVVLAETRQA-AESVIDAFRGLN-AHILVQEYIKEAQGCDIRCLVVGDEVVA-AIERRAKEGDFRSNLHRGGAASVASITPQEREIAIKAARTM---ALDVAGVDILRANRGPLVMEVNAS-PG-LEGIEKTTGIDIAGKMIRWIERH---

General information: TITO was launched using: RESULT: Template: 4IWY.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 : 1446 -15850 -10.96 -56.81 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -10.96 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.385

(partial model without unconserved sides chains): PDB file : Tito_4IWY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IWY-query.scw PDB file : Tito_Scwrl_4IWY.pdb: