Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDTQHSALNARKQQATPRGVGVMCQWYAEKAENATIWDKEGNQFIDFAGGIAVLNTGHRHPKVIAAVTEQLTKFTHTAYQVTPYESYVALAERINERAPIAGPAKAAFFTTGAEAVENAVKIARCYTG-RHG-----IITFGNGFHGRSFMTMAMTGKTAPYKRDFGVMPAGVFHARYPVPAKGISVDAAIESVEDIFSEDIAPHDVAVIVLEPVQGEGGFNVVPAEFLKRLRAICDKHGILLVADEVQSGFARTGKLFAMNHYETKADLITMAKSLGGGFPISGVVGRAEVMDAPNPGGLGGTYAGSPIAVAAAHAVIDAIEEENLCDRANELGAELVATLKDIQQATGDVVTDIRALGSMVAVELETAEQAKVVQN-YA-MENGLLLLTCGKYGNVIRFLYPLTIPAEQFRQGLDILKQGFATLKAGSAKAMEQSA 4JEY Chain:A ((45-413)) -----------------------------KGKGSRVWDQQGKEYIDFAGGIAVTALGHCHPALVEALKSQGETLWHTS-NVFTNEPALRLGRKLID-ATFA--ERVLFMNSGTEANETAFKLARHYACVRHSPFKTKIIAFHNAFHGRSLFTVSVGGQPK-YSDGFGPKPADIIH----VPFNDLH---AVKAVMD-------DHTCAVVV-EPIQGAGGVQAATPEFLKGLRDLCDEHQALLVFDEVQCGMGRTGDLFAYMHYGVTPDILTSAKALGGGFPVSAMLTTQEIASAF----HGSTYGGNPLACAVAGATFDIINTPEVLQGIHTKRQQFVQHLQAIDEQF-DIFSDIRGMGLLIGAELKPKYKGRARDFLYAGAEAGVMVLNAG--ADVMRFAPSLVVEEADIHEGMQRFAQ-----------------

General information: TITO was launched using: RESULT: Template: 4JEY.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 : 2161 -24586 -11.38 -68.87 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -11.38 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.497

(partial model without unconserved sides chains): PDB file : Tito_4JEY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JEY-query.scw PDB file : Tito_Scwrl_4JEY.pdb: