Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVLVIMDPIETVNLKKDSTMAMLWAASRRGHELGYALQQDLYIDQGKAYGLISPLKVFEDYNHYYELGEKKKESIAAYDVVLMRKDPPFDMNFVYTTYVLEQAEREGSWIINKPQSLRDCNEKLFATQFPELQ---VP-TLVTSQQSLIREFITEHGD--VIVKPLDGMGGMGIFRLYQDGVNIGSTLEMLTELGTRPIMAQRYIPEIVEGDKRILMVNGEPIPYCLARIPQNGEVRGNLAAGGLGQARPLTENDKLIAAKVGPFLREKGLVFVGLDVI----GNYVTEINVTSPTCIREIDAQFGTSIADDLFDVLEAGRPA 4IWX Chain:A ((39-307)) ---------------------------------------REAAIQRGHLVEILDPLSCYMNINPAASSIHYKGRKLPHFDAVIPRIGTAITF---YGTAALRQFEMLGSYPLNESVAIARARDKLRSMQLLARQGIDLPVTGIAHSPDDTSDLIDMVGGAPLVVKLVEGTQGIGVV-LAETRQAAESVIDAFRGLNAH-ILVQEYIKEAQGCDIRCLVV-GDEVVAAIERRAKEGDFRSNLHRGGAASVASITPQEREIAIKAA---RTMALDVAGVDILRANRGPLVMEVN-ASPG-LEGIEKTTGIDIAGKMIRWIE-----

General information: TITO was launched using: RESULT: Template: 4IWX.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 : 1233 27086 21.97 104.58 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : 21.97 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.314

(partial model without unconserved sides chains): PDB file : Tito_4IWX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IWX-query.scw PDB file : Tito_Scwrl_4IWX.pdb: