Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIRDVNKIILHKKDSILKALELLDLYALRIVLVVDDHNHLIGSITDGDIRRGLLKGQDVHASVETIMHTTPYSIEEGSLNNRQIFEIMREKSYLALPVIKNNQLVNIITLDDLIRKKRKENPVFIMAGGFGTRLRPLTDTCPKPMLPVGGKPLLETIISSFKNQGFYKFYISTHYLPEVINEYFGDGEKL---------------GVQIQYVHETDPLGTGGALSLLPASDI-KLPFIVINGDVLTN-M---N-FEKLLEFHEKRDAIAT-MCVREFQYQIPYGVVNSE-----DHVIQSMTEKPS----YFFDINTGIYVISPELLPEVN-A-----QFIGMPTILEQQMEKQNKVLSYPLHEYWLDIGHMEDYNRAQRDIINLDFGKF 3JUK Chain:A ((2-271)) -----------------------------------------------------------------------------------------------------------------------IKKCLFPAAGYGTRFLPITKTIPKEMLPIVDKPLIQYAVEEAMEAGCEVMAIVTGRNKRSLEDYFDTSY--TNKENALKSIRNIIEKCCFSYVRQKQMKGLGHAILTGEA-LIGNEPFAVILADDLCISHDHPSVLKQMTSLYQKYQCSIVAIEEVALEEVSKYGVIRGEWLEEGVYEIKDMVEKPNQEDAPSNLAVIGRYILTPDIFEILSETKPGKNNEIQITDALRTQAKRK-RIIAYQFKGKRYDCGSVEGYIEASNAYYKK-----

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 A - contact count / total energy / energy per contact / energy per residue : 1142 -48093 -42.11 -213.75 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -42.11 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.469

(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: