Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVKKAVIPAAGLGTRFLPATKAMAKEMLPIVDKPTIQFIVEEALDSGIEDILIVTGKEKRPIEDHFDANIELENNLREKEKTELLALVEETTQ-VNLHFIRQSHPRGLGDAVLQAKAFIGNEPFVVMLGDDLM--KDDIPLTQQLMMDYEETQASAVAVMRVPENETSKYGIIDPKTDSEKGRCRVKGFVEKPEMGKAPSNLAIIGRYLLTPKIFEILETQEPGAGNEIQLTDALQTLNQTEAVYAREFKGKRYDVGDKLGYMKTNIEYGLQHSEIGTSLSAYIIQLSKKLRTES 3JUK Chain:B ((2-268)) --IKKCLFPAAGYGTRFLPITKTIPKEMLPIVDKPLIQYAVEEAMEAGCEVMAIVTGRNKRSLEDYFDTSY---------NKENALKSIRNIIEKCCFSYVRQKQMKGLGHAILTGEALIGNEPFAVILADDLCISHDHPSVLKQMTSLYQKYQCSIVAIEEVALEEVSKYGVIRGEW-LEEGVYEIKDMVEKPNQEDAPSNLAVIGRYILTPDIFEILSETKPGKNNEIQITDALRTQAKRKRIIAYQFKGKRYDCGSVEGYIEASNAY--------------------------

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 : 1447 -22715 -15.70 -89.08 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -15.70 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.492

(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: