Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGMQRSGTAIAASFYLKLQRIKPLMLVKPSFKKRLLLTTLLSLSATQIFASNNSEQIPIGKLPEWVIPESYDLDFKIDPA-----QKGYTGKTTIHLKLVQATDHIWIHGKSLTVKAVNI----TSAEGVKT-KAKYEQASEVDGMSKIKFAKTLPAGQ-YQLVLDFNVAYDQQLDGIYKIEFE----GKPYVMTQMEAISARQSFPSFDEPRFKTPFNIRLTIPSKYSGFANTQQTSEQA---EKSGWKTLSFAQTKPLPTYLLALAVGPWQLQKGPDIGATSWRKQPIQLRGIAPDAKAE--KMQHALSETPAILKTLEDYFAFGYPFDKLDLLAAPDFAAGAMENPGLITFRDYLMLLDKES-PVSFVQNSFNVNAHELAHQWFGDVVTMPWWDDLWLNESFATWMQSKITQKLHPEFNADL-ERITDTADAMKSDSLVSVRRIRQP---ILSNADIQTAFDGITYQKGAAVLNMFESYLGEEKFKQGVRNYINKHQYGNATANDLISALAEQSEQ------SERFAKAMKSFLDQPGVPLINTALQQEGNKVFLNVKQSRYLPVGSK-----GDARSLWGVPLCVRYEVPNAGSKVQCELVDQAEA-KIELKGASLGSWYIPNADAAGYYQFSLPQKEFTRLTAATEKLSNT-EQLAYAYAISAAFN---HGDINLLAVVDAAKKFANSNSRQISTALFSQLSTIHRHVLKTEAEREHFRKVLANLYLPKLNQLG-----YVSKTGESAEDSLWRSELVRFLALDIQVPEVRTQLLKQSDALFAQKQLNFAQVTPELLPTILAVRVQEKGQPAFDRLSGELQRVTQPTQRLAILTALGSANQEATRQQARQLILNP-LVKVGEVRTVVNSINNYGDEQGGLWSWFKVNHDAVFDRLGKF--SAGRFPAMFSGAACIQQQAAQLNDFFAPRTKE-LVGVERGLKQTKERIQLCESLVAKQDGSIVQQLKL 4FKE Chain:A ((5-899)) -------------------------------------------------------PWNRYRLPTTLLPDSYNVTLRPYLTPNADGLYIFKGKSIVRFLCQEPTDVIIIHSKKLNYTTQGHMVVLRGVGDSQVPEIDRTELVELTEYLVVHLKGSLQPGHMYEMESEFQGELADDLAGFYRSEYMEGNVKKVLATTQMQSTDARKSFPCFDEPAMKATFNITLIHPNNLTALSNMPPKGSSTPLAEDPNWSVTEFETTPVMSTYLLAYIVSEFQSVNETA-------QNGVLIRIWARPNAIAEGHGMYALNVTGPILNFFANHYNTSYPLPKSDQIALPDFNAGAMENWGLVTYRENALLFDPQSSSISNKERVVTVIAHELAHQWFGNLVTLAWWNDLWLNEGFASYVEYLGADHAEPTWNLKDLIVPGDVYRVMAVDALASSHPLTTPAEEVNTPAQISEMFDSISYSKGASVIRMLSNFLTEDLFKEGLASYLHAFAYQNTTYLDLWEHLQKAVDAQTSIRLPDTVRAIMDRWTLQMGFPVITVDTKT------GNISQKHFLLDSESNVTRSSAFDYLWIVPISSIKNGVM---QDHY-WLRDVSQAQNDLFKTASDDWVLLNVNVTGYFQVNYDEDNWRMIQHQLQTNLSVIPVINRAQVIYDSFNLATAHMVPVTLALDNTLFLNGEKEYMPWQAALSSLSYFSLMFDR-SEVYGPMKKYLRKQVEPLFQHFETLTKNWTERP-ENLMDQYSEINAISTA-CSNGLPQCENLAKTLFDQWMSDP--ENNPIHPNLRSTIYCNAIAQGGQDQWDFAWGQLQQAQLVNEADKLRSALACSNEVWLLNRYLGYTLNPDLIRKQDATSTINSIASNVIGQPLAWDFVQSNWKKLFQDYGGGSFSFSNLIQGVTRRFSSEFELQQLEQFKKNNMDVGFGSGTRALEQALEKTKANIKWVKENKEVVLNWFI-

General information: TITO was launched using: RESULT: Template: 4FKE.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 : 4767 74579 15.64 88.26 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 15.64 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.410

(partial model without unconserved sides chains): PDB file : Tito_4FKE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FKE-query.scw PDB file : Tito_Scwrl_4FKE.pdb: