Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEQEKKTPLLHIENLRVSFKGEDKQYIETVKGISFDIPTNTTVALVGESGSGKSVTSLATMGLLPVGQSKIDEKSKIIFEGKDLLGLSRTEMRKICGKDIAMIFQEPMSSLNPVFTVGNQIAEVLCLHMG--MSRKQARQRVLELLKEVGIPSPETKIDAYPNQLSGGQQQRVMIAMAIACEPKLLIADEPTTALDVTIQKQIIDLLESLRQRRQMSMLFITHDLALVGEIADQVIVMRHGEIREQGTAEQVLEQPKDVYTR---------A----LLYCRP-----------------------------------QMS-QRPYR------------------------------------LPV-----------TSDFMR--------------QE--------------------------------NNILV-E-------------------------Q----S---------------F----------------------------------------------------------------D--------------VSE-----------------------IPERK-------RGLNGDEKIILEVKDLKKSFYSRKGLFGKEEFQVVKGVSFKLAKGKTLGLVGESGSGKTTVGLLLMRLHQASGGQALIEGKDILSLTEKEFAKYQRKIQIIFQNPYASLNPRFTIGQILLEPMQIHGIGKDDAERKQIALGLLERVNLLE----------QAYYRYPHEFSGGQRQRIAIARCLTLKPEILICDESVSALDVSVQAQVLNLLQDLQDEFGLSYIFISHDLSVVKYISDQVMVMNHGEVVEIANSDELYAHPQYDYTKRLLQAIPQGIQHVS 5KO2 Chain:A ((385-1233)) -------QGNLEFKNIHFSYPSR--KEVQILKGLNLKVKSGQTVALVGNSGCGKSTTVQLMQRLYDPL-----D-GMVSIDGQDIRTINVRY----LREIIGVVSQEPVL--F-ATTIAENIRYGREDVTMDEIEKAVKEANAYDFIMKLPHQ-FDTLVGERGAQLSGGQKQRIAIARALVRNPKILLLDQATSALDTESEAVVQAALDKAR--EGRTTIVIAHRLSTVR-NADVIAGFDGGVIVEQGNHDELMREKGIYFKLVMTQTDVPPASFWRILKLNSTEWPYFVVGIFCAIINGGLQPAFSVIFSKVVGVFTNGGPPETQRQNSNLFSLLFLILGIISFITFFLQGFTFGKAGEILTKRLRYMVFKSMLRQDVSWFDDPKNTTGALTTRLANDAAQVKGATGSRLAVIFQNIANLGTGIIISLIYGWQLTLLLLAIVPIIAIAGVVEMKMLSGQALKDKKELEGSGKIATEAIENFRTVVSLTREQKFETMYAQSLQIPYRNAMKKAHVFGITFSFTQAMMYFSYAACFRFGAYLVTQQLMTFENVLLVFSAIVFGAMAVGQVSSFAPDYAKATVSASHIIRIIEKTPEIDSYSTQGLKPNMLEGNVQFSGVVFNYPTR------PSIPVLQGLSLEVKKGQTLALVGSSGCGKSTVVQLLERFYDPMAGSVFLDGKEIKQLN---VQWLRAQLGIVSQEPI--LF-DCSIAENIAYGDNSRVVS------YEEIVRAAKEANIHQFIDSLPDKYNTRVGDKGTQLSGGQKQRIAIARALVRQPHILLLDQATSALDTESEKVVQEALDKAR--EGRTCIVIAHRLSTIQN-ADLIVVIQNGKVKEHGTHQQLLAQKGIYFSMV-------------

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 A - contact count / total energy / energy per contact / energy per residue : 1961 -31562 -16.09 -61.17 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -16.09 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.411

(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: