Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKKAIIPAGGFGTRNLPVTKVIPKEMFPVGSKPVIHYLVEELKESGIEDILMVVSSHKNLIVDYFDSSLALEAFLASKNKLHLLR--EHPIPDIRIHYVRQPYAKGLGDAISFGKQFAGGEPFAVVLPDDLIFSANQPA-LGQLIEAYTKYQSSVIGLKETKTEDLHHYGVIKGEPVEKGLYRIQDIVEKPKQ-NPPSHFAAAGRYIFTPDIFNELEALEADSGGEVQVTDAIKASLGACTVYGKLLEGERYDIGLQKDYLKLIYDMLKTEKNPQ 3JUK Chain:B ((1-263)) MIKKCLFPAAGYGTRFLPITKTIPKEMLPIVDKPLIQYAVEEAMEAGCEVMAIVTGRNKRSLEDYFDTSY---------NKENALKSIRNIIEKCCFSYVRQKQMKGLGHAILTGEALIGNEPFAVILADDLCISHDHPSVLKQMTSLYQKYQCSIVAIEEVALEEVSKYGVIRGEWLEEGVYEIKDMVEKPNQEDAPSNLAVIGRYILTPDIFEILSETKPGKNNEIQITDALRTQAKRKRIIAYQFKGKRYDCGSVEGYIE-------------

General information: TITO was launched using: RESULT: Template: 3JUK.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 : 1407 -9230 -6.56 -36.92 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -6.56 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_3JUK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3JUK-query.scw PDB file : Tito_Scwrl_3JUK.pdb: