Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSELSKAKNRKVGFVLGLTGGIATGKSTAAKVFQSHGFPLIDGDVIARETVEPGTLALRKIVSVFGQEVLQPDGQLDRGKLGMIVFPSKEKRQKLDQLLDPFIRKAIKDQIASLSSNHPLVIVDIPLLYEG-HYDHYMDAVAVVYTTPETQLQRLMKRNQLTLEQAQQRISSQLPIEEKKQRADILFDNN-GTKEKLVGQIENWLFANRFL 4I1V Chain:A ((5-203)) --------HHHHMYAIGLTGGIGSGKTTVADLFAARGASLVDTDLIAHRITAPAGLAMPAIEQTFGPAFVAADGSLDRARMRALIFSDEDARRRLEAITHPLIRAETEREARD--AQGPYVIFVVPLLVESRNWKARCDRVLVVDCPVDTQIARVMQRNGFTREQVEAIIARQATREARLAAADDVIVNDAATPDALAVQVDALHQRYL--

General information: TITO was launched using: RESULT: Template: 4I1V.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 : 822 -72026 -87.62 -365.61 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -87.62 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.607

(partial model without unconserved sides chains): PDB file : Tito_4I1V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4I1V-query.scw PDB file : Tito_Scwrl_4I1V.pdb: