Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEQEKKTPLLHIENLRVSFKGEDKQYIETVKGISFDIPTNTTVALVGESGSGKSVTSLATMGLLPVGQSKIDEKSKIIFEGKDLLGLSRTEMRKICGKDIAMIFQEPMSSLNPVFTVGNQIAEVLCLHMG--MSRKQARQRVLELLKEVGIPSPETKIDAYPNQLSGGQQQRVMIAMAIACEPKLLIADEPTTALDVTIQKQIIDLLESLRQRRQMSMLFITHDLALVGEIADQVIVMRHGEIREQGTAEQVLEQPKDVYTR-----A---------LLYCR------------------------------------PQMSQRPYR------------------------------------LPV-----------TSDFMR--------------QE--------------------------------NNILVE--------------------------Q----S---------------F----------------------------------------------------------------DV--------------SE-----------------------IPERK-------RGLNGDEKIILEVKDLKKSFYSRKGLFGKEEFQVVKGVSFKLAKGKTLGLVGESGSGKTTVGLLLMRLHQASGGQALIEGKDILSLTEKEFAKYQRKIQIIFQNPYASLNPRFTIGQILLEPMQIHGIGKDDAERKQIALGLLERVNLL----------EQAYYRYPHEFSGGQRQRIAIARCLTLKPEILICDESVSALDVSVQAQVLNLLQDLQDEFGLSYIFISHDLSVVKYISDQVMVMNHGEVVEIANSDELYAHPQYDYTKRLLQAIPQGIQHVS 5KO2 Chain:B ((385-1232)) -------QGNLEFKNIHFSYPSR--KEVQILKGLNLKVKSGQTVALVGNSGCGKSTTVQLMQRLYDPL-----D-GMVSIDGQDIRTINVRY----LREIIGVVSQEPVL--F-ATTIAENIRYGREDVTMDEIEKAVKEANAYDFIMKLPHQ-FDTLVGERGAQLSGGQKQRIAIARALVRNPKILLLDQATSALDTESEAVVQAALDKAR--EGRTTIVIAHRLSTVR-NADVIAGFDGGVIVEQGNHDELMREKGIYFKLVMTQT-DVPPASFWRILKLNSTEWPYFVVGIFCAIINGGLQPAFSVIFSKVVGVFTNGGPPETQRQNSNLFSLLFLILGIISFITFFLQGFTFGKAGEILTKRLRYMVFKSMLRQDVSWFDDPKNTTGALTTRLANDAAQVKGATGSRLAVIFQNIANLGTGIIISLIYGWQLTLLLLAIVPIIAIAGVVEMKMLSGQALKDKKELEGSGKIATEAIENFRTVVSLTREQKFETMYAQSLQIPYRNAMKKAHVFGITFSFTQAMMYFSYAACFRFGAYLVTQQLMTFENVLLVFSAIVFGAMAVGQVSSFAPDYAKATVSASHIIRIIEKTPEIDSYSTQGLKPNMLEGNVQFSGVVFNYPTR------PSIPVLQGLSLEVKKGQTLALVGSSGCGKSTVVQLLERFYDPMAGSVFLDGKEIKQLN---VQWLRAQLGIVSQEPI--LF-DCSIAENIAYGDNSRVVS------YEEIVRAAKEANIHQFIDSLPDKYNTRVGDKGTQLSGGQKQRIAIARALVRQPHILLLDQATSALDTESEKVVQEALDKAR--EGRTCIVIAHRLSTIQN-ADLIVVIQNGKVKEHGTHQQLLAQKGIYFSM--------------

General information: TITO was launched using: RESULT: Template: 5KO2.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 : 1980 -39503 -19.95 -76.85 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -19.95 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.428

(partial model without unconserved sides chains): PDB file : Tito_5KO2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KO2-query.scw PDB file : Tito_Scwrl_5KO2.pdb: