Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGMQRSGTAIAASFYLKLQRIKPLMLVKPSFKKRLLLTTLLSLSATQIFASNNSEQIPIGKLPEWVIPESYDLDFK--IDPAQKG---YTGKTTIHLKLVQATDHIWIHGKSLTVKAV-NITSAEGVKTKAKYEQASEVDGMSKIKFAKTL---------PAGQYQLVLDFNVAYDQQLDGIYKIEF-EG---KPYVMTQMEAISARQSFPSFDEPRFKTPFNIRLTIPSKYSGFANTQ---QTSEQAEKSGWKTLSFAQTKPLPTYLLALAVGPWQLQKGPDIGATSWRKQPIQLRGIAPDAKAEKM-QHALSETPAILKTLEDYFAFGYPFDKLDLLAAPDFAAGAMENPGLITFRDYLMLLD-KESPVSFVQNSFNVNAHELAHQWFGDVVTMPWWDDLWLNESFATWMQSKITQKLHPEFN-ADLERITDTADAMKSDSLVSVRRIRQP---ILSNADIQTAFDGITYQKGAAVLNMFESYLGEEKFKQGVRNYINKHQYGNATANDLISAL--AEQSEQSERFAKAMKSFLD----QPGVPLINTALQQEGNKVFLNVKQSRYLPVGSKGDARS-----LWGVPLCVRYEVPNAGSKVQCELVDQAEAKIELKGASLGSWYIPNADAAGYYQFSLPQKEFTRLTAATE-KLSNTEQLAYAYAISAAFNHGDINLLAVVDAAKKFANSNSRQISTALFSQLSTIHRHVLKTEAEREH--FRKVLANLYLPKLNQLGYVSKTGESAEDSLWRSELVRFLALDIQVPEVRTQLLKQSDALFAQKQLNFAQ--VTPELLPTILAVRVQEKGQPAFDRLSGELQRVTQPTQRLAILTALGSANQEATRQQARQLILNP-LVKVGEVRTVVNSINNYGDEQGGLWSWFKVNHDAVFDRL--GKFS--------AGRFPAMFSGAACIQQQAAQLNDFFAPRTKELVGVERGLKQTKERIQLCESLVAKQDGSIVQQLKL 4OU3 Chain:A ((9-884)) ------------------------------------------------------------RLPTTLLPDSYNVTLRPYLTPNADGLYIFKGKSIVRFLCQEPTDVIIIHSKKLNYTTQGHMVVLRGVGDS----QVPEIDRTELVELTEYLVVHLKGSLQPGHMYEMESEFQGELADDLAGFYRSEYMEGNVKKVLATTQMQSTDARKSFPCFDEPAMKATFNITLIHPNNLTALSNMPPKGSSTPLAEDPNWSVTEFETTPVMSTYLLAYIVSEFQ-----SVNETAQNGVLIRIWA-RPNAIAEGHGMYALNVTGPILNFFANHYNTSYPLPKSDQIALPDFNAGAMENWGLVTYRENALLFDPQSSSISNKERVVTVIAHELAHQWFGNLVTLAWWNDLWLNEGFASYVEYLGADHAEPTWNLKDLIVPGDVYRVMAVDALASSHPLTTPAEEVNTPAQISEMFDSISYSKGASVIRMLSNFLTEDLFKEGLASYLHAFAYQNTTYLDLWEHLQKAVDAQTSIRLPDTVRAIMDRWTLQMGFPVI-TVDTKTG-----NISQKHFLLDSESNVTRSSAFDYLWIVPIS---SIKNGVMQDHYWLRDVSQAQNDLFKTASDDWVLLNVNVTGYFQVNYDEDNWRMIQHQLQTNLSVIPVINRAQVIYDSFNLATAHMVPVTLALDNTLFLNGEKEYMPWQAALSSLSYFSLMFDRSEVYGPMKKYLRKQVEPLFQHFETLTKNWTERPENL-MDQYSEINAISTACSNGLPQCENLAKTLFDQWMSDPENNPIHPNLRSTIYCNAIAQGGQDQWDFAWGQLQQAQLVNEADKLRSALACSNEVWLLNRYLGYTLNPDLIRKQDATSTINSIASNVIGQPLAWDFVQSNWKKLFQDYGGGSFSFSNLIQGVTRRFSSEFELQQLEQFKKNNMDVGFGSGTRAL---EQALEKTKANIK-------------------

General information: TITO was launched using: RESULT: Template: 4OU3.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 : 4635 79464 17.14 96.79 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 17.14 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.362

(partial model without unconserved sides chains): PDB file : Tito_4OU3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OU3-query.scw PDB file : Tito_Scwrl_4OU3.pdb: