Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSTKQHKKVILVGDGAVGSSYAFALVNQGIAQELGIIEIPQLHEKAVGDALDLSHALAFTSPK-KIYAAQYSDCADADLVVITAGAPQKPGETRLDLVGKNLAINKSIVTQVVESGFKGIFLVAANPVDVLTYSTWKFSGFPKERVIGSGTSLDSARFRQALAEKLDVDARSVHAYIMGEHGDSEFAVWSHANIAGVNLEEFLKDTQNVQEAELIELFEGVRDAAYTIINKKGATYYGIAVALARITKAILDDENAVLPLSVFQEGQYGVENVFIGQPAVVGAHGIVRPVNIPLNDAETQKMQASAKELQAIIDEAWKNPEFQEASKN 3WSW Chain:B ((3-311)) ----KTSRKVVIVGTGFVGTSIAYAMINQGVANELVLIDVNQ--EKAEGEALDLLDGMAWGEKNVSVWSGTYEECQDANLVILTAGVNQKPGQTRLDLVKTNATITRQIVKEVMASGFDGIFVVASNPVDILTYLTWQESGLPASRVVGTGTTLDTTRFRKEIALKLAVDPRSVHGYILGEHGDSEVAAWSHTTVGGKPIMEYVEKDHRLEENDLTVLADKVKNAAYEIIDRKKATYYGIGMSTTRIVKAILNNEQAVLPVSAYLNGEYGEEDIFTGVPSIVDENGVREIIDLSITPQEKAMFHQSVSELKAVLD--------------

General information: TITO was launched using: RESULT: Template: 3WSW.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1739 -81487 -46.86 -264.57 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.86 3D Compatibility (PKB) : -46.86 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.619

(partial model without unconserved sides chains): PDB file : Tito_3WSW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WSW-query.scw PDB file : Tito_Scwrl_3WSW.pdb: