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---QTSEQAEKSGWKTLSFAQTKPLPTYLLALAVGPWQLQKGPDIGATSWRKQPIQLRGIA-PDAKAEKM-QHALSETPAILKTLEDYFAFGYPFDKLDLLAAPDFAAGAMENPGLITFRDYLMLLD-KESPVSFVQNSFNVNAHELAHQWFGDVVTMPWWDDLWLNESFATWMQSKITQKLHPEFN-ADLERITDTADAMKSDSLVSVRRIRQP---ILSNADIQTAFDGITYQKGAAVLNMFESYLGEEKFKQGVRNYINKHQYGNATANDLISAL--AEQSEQSERFAKAMKSFLD----QPGVPLINTALQQEGNKVFLNVKQSRYLPVGSKGDARS-----LWGVPLCVRYEVPNAGSKVQCELVDQAEAKIELKGASLGSWYIPNADAAGYYQFSLPQKEFTRLTAATE-KLSNTEQLAYAYAISAAFNHGDINLLAVVDAAKKFANSNSRQISTALFSQLSTIHRHVLKTEAEREH--FRKVLANLYLPKLNQLGYVSKTGESAEDSLWRSELVRFLALDIQVPEVRTQLLKQSDALFAQKQLNFAQ--VTPELLPTILAVRVQEKGQPAFDRLSGELQRVTQPTQRLAILTALGSANQEATRQQARQLILNP-LVKVGEVRTVVNSINNYGDEQGGLWSWFKVNHDAVFDRL--GKFS--------AGRFPAMFSGAACIQQQAAQLNDFFAPRTKELVGVERGLKQTKERIQLCESLVAKQDGSIVQQLKL 4NZ8 Chain:A ((8-883)) ------------------------------------------------------------RLPTTLLPDSYNVTLRPYLTPNADGLYIFKGKSIVRFLCQEPTDVIIIHSKKLNYTTQGHMVVLRGVGDS----QVPEIDRTELVELTEYLVVHLKGSLQPGHMYEMESEFQGELADDLAGFYRSEYMEGNVKKVLATTQMQSTDARKSFPCFDEPAMKATFNITLIHPNNLTALSNMPPKGSSTPLAEDPNWSVTEFETTPVMSTYLLAYIVSEFQ-----SVNETA--QNGVLIRIWARPNAIAEGHGMYALNVTGPILNFFANHYNTSYPLPKSDQIALPDFNAGAMENWGLVTYRENALLFDPQSSSISNKERVVTVIAHELAHQWFGNLVTLAWWNDLWLNEGFASYVEYLGADHAEPTWNLKDLIVPGDVYRVMAVDALASSHPLTTPAEEVNTPAQISEMFDSISYSKGASVIRMLSNFLTEDLFKEGLASYLHAFAYQNTTYLDLWEHLQKAVDAQTSIRLPDTVRAIMDRWTLQMGFPVI-TVDTKTG-----NISQKHFLLDSESNVTRSSAFDYLWIVPIS---SIKNGVMQDHYWLRDVSQAQNDLFKTASDDWVLLNVNVTGYFQVNYDEDNWRMIQHQLQTNLSVIPVINRAQVIYDSFNLATAHMVPVTLALDNTLFLNGEKEYMPWQAALSSLSYFSLMFDRSEVYGPMKKYLRKQVEPLFQHFETLTKNWTERPENL-MDQYSEINAISTACSNGLPQCENLAKTLFDQWMSDPENNPIHPNLRSTIYCNAIAQGGQDQWDFAWGQLQQAQLVNEADKLRSALACSNEVWLLNRYLGYTLNPDLIRKQDATSTINSIASNVIGQPLAWDFVQSNWKKLFQDYGGGSFSFSNLIQGVTRRFSSEFELQQLEQFKKNNMDVGFGSGTRAL---EQALEKTKANIK-------------------

General information: TITO was launched using: RESULT: Template: 4NZ8.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 : 4601 74503 16.19 90.86 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : 16.19 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.364

(partial model without unconserved sides chains): PDB file : Tito_4NZ8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NZ8-query.scw PDB file : Tito_Scwrl_4NZ8.pdb: