Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFSDLKLFALSSNKELAERVAQEIGIELGKSSVRQFSDGEIQVNIEESIRGKHVFILQSTSSPVNDNLLEILIMVDALKRASAESVNVVMPYYGYARQDRKARAREPITSKLVANMLEVAGVDRLLTIDLHAAQIQGFFDIPVDHLMGAPLIADYFERRGMVGSDYVVVSPDHGGVTRARKLAEFLKTSIAIIDKRRSVDKMNTSEVMNIIGKVEGKTCILIDDMIDTAGTICHAADALAEAGAVEVYASCTHPVLSGPATDNIQKSAIKKLVVLDTIYLPEE---RLIDKIEQISIAHLLGDAIVRIHEKRPLSPLFDIEKKI 4LYG Chain:A ((3-313)) ----NIKIFSGSSHQDLSQKIADRLGLELGKVVTKKFSNQETCVTIGESVRGEDVYIVQSGCGEINDNLMELLIMINACKIASASRVTAVIPCFPYARQDKKDKSRAPISAKLVANMLSVAGADHIITMDLHASQIQGFFDIPVDNLYAEPAVLKWIRENISEWRNCTIVSPDAGGAKRVTSIADRLNVDFALIHKE---------DRMVLVGDVKDRVAILVDDMADTCGTICHAADKLLSAGATRVYAILTHGIFSGPAISRINNACFEAVVVTNTI--PQEDKMKHCSKIQVIDISMILAEAIRRTHNGESVSYLF------

General information: TITO was launched using: RESULT: Template: 4LYG.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 : 1701 -274199 -161.20 -910.96 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -161.20 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.572

(partial model without unconserved sides chains): PDB file : Tito_4LYG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LYG-query.scw PDB file : Tito_Scwrl_4LYG.pdb: