Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTPDTSMKRVVVKIGSSSLTSLHGEISIRKLEALVDQVVKLKDAGYEVILVSSGAVAAGY--RKLGFIQ------RPEKLPEKQAS--ASIGQGLLMEAYSKLFLAHGYVASQI------LIT-RSDFSDEYRY----NNV-RNTMNVLLERGIIPIINENDTVTVNRLKFGDNDTLAAKVAGLIDADMLVILSDIDGLYDGNPRTNPEAKKIQRVSEITPDIEACAGDTGSIVGTGGMRSKLDAFKIVMASGIK-GFLGQADAGDILY-HAVHEQAEGTYFEAEGTLPLNQKEQWIAFNSGPEGEMILSDDCSRKITNGQSSLYLDGVQKIKGKFKSGSVVRLMDSKGTEIGLGIVNYSSVQLQEPEKKKELTNRALIDQEAFVCHVDFSLPVN 2V5H Chain:A ((46-311)) ---QFAGRTVVVKYGGAAMKQE------ELKEAVMRDIVFLACVGMRPVVVHGGGPEINAWLGRVGIEPQFHNGLRVTDADTMEVVEMVLVG--RVNKDIVSRINTTGGRAVGFCGTDGRLVLARPHDQEGIGFVGEVNSVNSEVIEPLLERGYIPVISSVAADENGQSFNINADTVAGEIAAALNAEKLILLTDTRGILE-DPKR-PE-SLIPRLNI--PQSRELI---AQGIVGGGMIPKVDCCIRSLAQGVRAAHIIDGRIPHALLLEIFTDAGIGTMIVGS--------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2V5H.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 : 1283 -35158 -27.40 -145.28 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -27.40 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.440

(partial model without unconserved sides chains): PDB file : Tito_2V5H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2V5H-query.scw PDB file : Tito_Scwrl_2V5H.pdb: