Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MNVVIIGAGMGGLTTGIALKKFGHQVRIFEQTEKILPVGA--------AISLWSNGVKCLNY--LGLTEKIAKLGGQMDDLAYVDGLTGDVMTQFSLRPLIEEVGQRPYPVARADLQNMLMDEFGRD--QIYLGKKMVGLEDKADFVEVHFADG--SSTQADLLIGADGTHSMTRAYVLGQQVQRRYAGYVNWNGLVEIS-------------EDLAPAQQWTTYVGEGKRASLMPVADGRFYFFLDVPLPAGLE--NNRDEYKKLLKQYFADWCQPV--QQLIERLDPQKTNRVEIHDIEPFTQFYKGCVVILGDAAHSTTPDIGQGGCQAMEDAIYLARSLQINTLGLEDALRRYQNKRNERANELVLRARKRCDVTHMKDETVTQAWYAELRREQGGHIMQGIISNIVGNPLD 4J33 Chain:A ((22-411)) MSESVAIIGAGLVGCLAALAFSKEGYNVTLYDFRQDPRLDTTKNKNLKSINLAISARGIDALKSIDPDACEHILQDMIPMK---------GRMIHDLKGRQESQLYGEAINSINRSVLNNSLLDELEKSTTELKFGHKLVKIEWTDDKQICHFAIGTPHTEKYDFVIGCDGAYSATRSQMQRKVEMDFSQEYMN-LRYIELYIPPTEEFKPNYGGNFAIAPDHLHIWPRHKFMLIALANSDGSFTSTFFGSKDQISDLITSKSRVREFLIENFPDIINIMDLDDAVKRFITYPKESLVCVNCKPY-DVPGGKAILLGDAAHAMVPFYGQGMNCGFEDVRILMALLKKHSGDRSRAFTEYTQTRHKDLVSITELAKR--NYKEMSHDVTSKRFL--LRK--------------------

General information: TITO was launched using: RESULT: Template: 4J33.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 : 1967 -14551 -7.40 -41.57 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -7.40 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.435

(partial model without unconserved sides chains): PDB file : Tito_4J33.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4J33-query.scw PDB file : Tito_Scwrl_4J33.pdb: