Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEQADKCNSRWKDEAMQNGYIPSYLDKDELCVVCGDKATGYHYRCITCEGCKGFFRRTIQKNLNPTYACKYEGKCVIDKVTRNQCQECRFKKCIAVGMATDLVLDDSKRLAKRKLIEENRERRRREELQKTVWDRPEPTQEEWEMIRVVTEAHMATNAQGNHWKQKRKFLSAVGVKEAKPEDIGSAPIVNAPEGNKVDIEAFSQFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRAAVRYDPESDTLTLNGEMAVTRGQLKNGGLGVVSDAIFDLGVSLSSFNLDDSEVALLQAVILLSSDRPGLTSVERIERCQEEFLLAFEHYINYRKHKVAHFWPKLLMKVTDLRMIGACHASRFLHMKVECPTELFPPLFLEVFED 1NQ1 Chain:A ((4-263)) ------------------------------------------------------------------------------------------------------------------------------EELQKSIGHKPEPTDEEWELIKTVTEAHVATNAQGSHWKQKQKFL---------PDDIGQ----------KVDLEAFSHFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRAAVRYDPESETLTLNGEMAVTRGQLKNGGLGVVSDAIFDLGMSLSSFNLDDTEVALLQAVLLMSSDRPGLACVERIEKYQDSFLLAFEHYINYRKHHVTHFWPKLLMKVTDLRMIGACHASRFLHMKVECPTELFPPLFLEVFED

General information: TITO was launched using: RESULT: Template: 1NQ1.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 : 1175 -164821 -140.27 -659.28 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -140.27 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.356

(partial model without unconserved sides chains): PDB file : Tito_1NQ1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1nq1-query.scw PDB file : Tito_Scwrl_1NQ1.pdb: