Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKLEQVSKVYKGGKKAVNSIDLDIAKGEFICFIGPSGCGKTTTMKMINRLIEPSSGRIFIDGENIMEQDPV--ELRRKIGYVIQQIGLFPHMTIQQNISLVP-KLLKWPEEKRKERARELLKLVDMGPEYLDRYPHELSGGQQQRIGVLRALAAEPPLILMDEPFGALDPITRDSLQEEFKKLQRTLNKTIVFVTHDMDEAIKLADRIVILKAGEIVQVGTPDEILRNPANEFVEEFIGKERLIQSRPDIERVEQMMNRTPVTVSADKTLSQAIQLMREKRVDSLLVVDRQNVLKGYVDVEMIDQNRKKASIVGDVYRSDIYTVQKGALLRDTVRKILKQGIKYVPVVDEQNHLAGIVTRASLVDIVYDSIWGDEENQLMTI 2OLK Chain:B ((24-261)) MIDVHQLKKSF-GSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGL-KDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANE-GMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSK----------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2OLK.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 : 1233 -41994 -34.06 -178.70 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -34.06 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.566

(partial model without unconserved sides chains): PDB file : Tito_2OLK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2OLK-query.scw PDB file : Tito_Scwrl_2OLK.pdb: