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 4FKK Chain:A ((10-885)) ------------------------------------------------------------RLPTTLLPDSYNVTLRPYLTPNADGLYIFKGKSIVRFLCQEPTDVIIIHSKKLNYTTQGHMVVLRGVGDS----QVPEIDRTELVELTEYLVVHLKGSLQPGHMYEMESEFQGELADDLAGFYRSEYMEGNVKKVLATTQMQSTDARKSFPCFDEPAMKATFNITLIHPNNLTALSNMPPKGSSTPLAEDPNWSVTEFETTPVMSTYLLAYIVSEFQ-----SVNETA--QNGVLIRIWARPNAIAEGHGMYALNVTGPILNFFANHYNTSYPLPKSDQIALPDFNAGAMENWGLVTYRENALLFDPQSSSISNKERVVTVIAHELAHQWFGNLVTLAWWNDLWLNEGFASYVEYLGADHAEPTWNLKDLIVPGDVYRVMAVDALASSHPLTTPAEEVNTPAQISEMFDSISYSKGASVIRMLSNFLTEDLFKEGLASYLHAFAYQNTTYLDLWEHLQKAVDAQTSIRLPDTVRAIMDRWTLQMGFPVI-TVDTKTG-----NISQKHFLLDSESNVTRSSAFDYLWIVPIS---SIKNGVMQDHYWLRDVSQAQNDLFKTASDDWVLLNVNVTGYFQVNYDEDNWRMIQHQLQTNLSVIPVINRAQVIYDSFNLATAHMVPVTLALDNTLFLNGEKEYMPWQAALSSLSYFSLMFDRSEVYGPMKKYLRKQVEPLFQHFETLTKNWTERPENL-MDQYSEINAISTACSNGLPQCENLAKTLFDQWMSDPENNPIHPNLRSTIYCNAIAQGGQDQWDFAWGQLQQAQLVNEADKLRSALACSNEVWLLNRYLGYTLNPDLIRKQDATSTINSIASNVIGQPLAWDFVQSNWKKLFQDYGGGSFSFSNLIQGVTRRFSSEFELQQLEQFKKNNMDVGFGSGTRAL---EQALEKTKANIK-------------------

General information: TITO was launched using: RESULT: Template: 4FKK.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 : 4646 78429 16.88 95.64 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : 16.88 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.360

(partial model without unconserved sides chains): PDB file : Tito_4FKK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FKK-query.scw PDB file : Tito_Scwrl_4FKK.pdb: