Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGMQRSGTAIAASFYLKLQRIKPLMLVKPSFKKRLLLTTLLSLSATQIFASNNSEQIPIGKLPEWVIPESYDLDFK--IDPAQKG---YTGKTTIHLKLVQATDHIWIHGKSLTVKAVNITSAEGVKTKAKYEQASEVDGMSKIKFAKTL---------PAGQYQLVLDFNVAYDQQLDGIYKIEF-EG---KPYVMTQMEAISARQSFPSFDEPRFKTPFNIRLTIPSKYSGFANTQ---QTSEQAEKSGWKTLSFAQTKPLPTYLLALAVGPWQLQKGPDIGATSWRKQPIQLRGIAPDAKAEKM-QHALSETPAILKTLEDYFAFGYPFDKLDLLAAPDFAAGAMENPGLITFRDYLMLLD-KESPVSFVQNSFNVNAHELAHQWFGDVVTMPWWDDLWLNESFATWMQSKITQKLHPEFN-ADLERITDTADAMKSDSLVSVRRIRQP---ILSNADIQTAFDGITYQKGAAVLNMFESYLGEEKFKQGVRNYINKHQYGNATANDLISAL--AEQSEQSERFAKAMKSFLD----QPGVPLINTALQQEGNKVFLNVKQSRYLPVGSKGDARS-----LWGVPLCVRYEVPNAGSKVQCELVDQAEAKIELKGASLGSWYIPNADAAGYYQFSLPQKEFTRLTAATE-KLSNTEQLAYAYAISAAFNHGDINLLAVVDAAKK--FANSNSRQIS-TALFSQLSTIHRHVLKTEAEREHFRKVLANLYLPKLNQLGYVSKTGESAEDSLWRSELVRFLALDIQVPEVRTQLLKQSDALFAQKQLNFAQ--VTPELLPTILAVRVQEKGQPAFDRLSGELQRVTQPTQRLAILTALGSANQEATRQQARQLILNP-LVKVGEVRTVVNSINNYGDEQGGLWSWFKVNHDAVFDRLGKFS----------AGRFPAMFSGAACIQQQAAQLNDFFAPRTKELVGVERGLKQTKERIQLCESLVAKQDGSIVQQLKL 5LDS Chain:A ((53-928)) ------------------------------------------------------------RLPTTLLPDSYNVTLRPYLTPNADGLYIFKGKSIVRFICQEPTDVIIIHSKKLNYT--HMVVLRGVGDS----QVPEIDRTELVELTEYLVVHLKGSLQPGHMYEMESEFQGELADDLAGFYRSEYMEGNVKKVLATTQMQSTDARKSFPCFDEPAMKATFNITLIHPNNLTALSNMPPKGSSTPLAEDPNWSVTEFETTPVMSTYLLAYIVSEFQ-----SVNETAQNGVLIRIWA-RPNAIAEGHGMYALNVTGPILNFFANHYNTSYPLPKSDQIALPDFNAGAMENWGLVTYRENALLFDPQSSSISNKERVVTVIAHELAHQWFGNLVTLAWWNDLWLNEGFASYVEYLGADHAEPTWNLKDLIVPGDVYRVMAVDALASSHPLTTPAEEVNTPAQISEMFDSISYSKGASVIRMLSNFLTEDLFKEGLASYLHAFAYQNTTYLDLWEHLQKAVDAQTSIRLPDTVRAIMDRWTLQMGFPVI-TVDTKTG-----NISQKHFLLDSESNVTRSSAFDYLWIVPIS---SIKNGVMQDHYWLRDVSQAQNDLFKTASDDWVLLNVNVTGYFQVNYDEDNWRMIQHQLQTNLSVIPVINRAQVIYDSFNLATAHMVPVTLALDNTLFLNGEKEYMPWQAALSSLSYFSLMFDRSEVYGP-MKKYLRKQVEPLFQHFETLTKNWTERPENL-MDQYSEINAISTACSNGLPQCENLAKTLFDQWMSDPENNPIHPNLRSTIYCNAIAQGGQDQWDFAWGQLQQAQLVNEADKLRSALACSNEVWLLNRYLGYTLNPDLIRKQDATSTINSIASNVIGQPLAWDFVQSNWKKLFQDYGGGSFSFSNLIQGVTRRFSSEFELQQLEQFKKNNMDVGFGSGTRAL---EQALEKTKANIK-------------------

General information: TITO was launched using: RESULT: Template: 5LDS.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 : 4779 99480 20.82 121.61 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 20.82 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.357

(partial model without unconserved sides chains): PDB file : Tito_5LDS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LDS-query.scw PDB file : Tito_Scwrl_5LDS.pdb: