Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFISFEGTEGVGKTTLIRKIHQHFEEQG-KQVVLTREPGGTPLAEQIRSMLLAVNHDENMSHDTELLLIYAARAQHLQQVILPALESNKIVLSDRFTDASFAYQCSGRGLSQDKLQLLNQNFVSRM-PEVTFWLDAPIELGMNRARERGALDRFEQEKLSFFTKVREGYETLWKAEPERIKRLDATQSPDQVFEQALQYLA 3N2I Chain:A ((29-218)) -FIVIEGLEGAGKSTAIQVVVETLQQNGIDHITRTREPGGTLLAEKLRALVKEEHPGEELQDITELLLVYAARVQLVENVIKPALARGEWVVGDRHDMSSQAYQGGGRQIAPSTMQSLKQTALGDFKPDLTLYLDIDPKLGLERARG--ELDRIEKMDISFFERARERYLELANSD-DSVVMIDAAQSIEQV---------

General information: TITO was launched using: RESULT: Template: 3N2I.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 : 824 23165 28.11 124.54 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : 28.11 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.535

(partial model without unconserved sides chains): PDB file : Tito_3N2I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3N2I-query.scw PDB file : Tito_Scwrl_3N2I.pdb: