Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTLLEVNNLKTYFFRKKEPIPAVDGVDFHISKGETVALVGESGSGKSITSLSIMGLVQS--SGGKIMDGSIKLEDKDLTSFTENDYCKIRGNEVSMIFQEPMTSLNPVLTIGEQITEVLIYHKNMKKKEARQRAVELLQMVGFSRAEQIMKEYPHRLSGGMRQRVMIAIALSCNPKLLIADEPTTALDVTIQAQVLELMKDLCQKFNTSILLITHDLGVVSEAADRVIVMYCGQVVENATVDDLFLEPLHPYTEGLLTSIPVIDGEIDKLNAIKGSVPTPDNLPPGCRFAPRCPKAMDKCWTNQPSLLTHKSGRTVRCFLYEEEGAEQS 2OUK Chain:A ((22-262)) -LQMIDVHQLKKSF----GSLEVLKGINVHIREGEVVVVIGPSGSGKS-TFLRCLNLLEDFDEGEIIIDG-INLKAKD------TNLNKVR-EEVGMVFQR--FNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAH---AYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANE-GMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSKV---------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2OUK.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 : 1258 -156700 -124.56 -655.65 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -124.56 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.526

(partial model without unconserved sides chains): PDB file : Tito_2OUK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2OUK-query.scw PDB file : Tito_Scwrl_2OUK.pdb: