Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------MRGVFLDKDKIPYDLVTKKLNEWYTSIKNDQVEQAEI--------IKTEVEKELLNMEENQDALLYYQLLEF------RHEIMLSYMKS---KEIEDLNNAYETIKEIEKQGQLTGMLEYYFYFFK------GMYEFRRKELISAISAYRIAESKLSEVEDEIEKAEFFFKVSYVYYYMKQ----TYFSMNYANRALKIFREYEEYAVQTVRCQFIVAGNLIDSLEYERALEQFLKSLEISKE-SNIEHLIAMSHMNIGICYDELKEYKKASQ-----HLILALEIFEKSKHSFLTKTLFTLTYVEAKQQN------YNVALIYFRKGRFIADKSDDKEYSAKFKILEGLFFSDGETQLIKNAFSYL-----ASRKMFADVENFS-------IEVADYFHEQGNLMLSNEYYRMSIEARRKIKK-----GEIIDENQPDSIGSSDFK--------------------- 5DSE Chain:A ((140-843)) VIAEAYATKGLCLEDVITCYEKAGDIALLYLQEIERVLGFFLETGLQRAHVLYFKNGNLTRGVGRFRELLRAVETRTTQNLRMTIARQLAEILLRGMCEQSYWNPLEDPFCPQENTEEALLLLLISESMANRSVVYDLLTIALGRRGQYEMLSECLERAMKFAFEEFHLWYQFALSLMAAGKSARAVKVLKECIRLKPDDATIPLLAAKLCMGSLHWLEEAEKFAKTVVTSEFKAKGYLALGLTYSLQATDASLRGMQEVLQRKALLAFQRAHSLSPTDHQAAFYLALQLAISRQIPEALGYVRQALQLQGDDANSLHLLALLLSAQKHYHDALNIIDMALSEYPENFILLFSKVKLQSLCRGPDEALLTCKHMLQIWKSCYLHPWMTLAQIWLHAAEVYIGIGKPAEATACTQEAANLFPMSHNVLYMRGQIAELRGSMDEARRWYEEALAISPTHVKSMQRLALILHQLGRYSLAEKILRDAVQVNSTAHEVWNGLGEVLQAQGNDAAATECFLTALELEASSPAVPFTIIPRVL

General information: TITO was launched using: RESULT: Template: 5DSE.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 : 1681 -132414 -78.77 -338.65 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -78.77 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.353

(partial model without unconserved sides chains): PDB file : Tito_5DSE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5DSE-query.scw PDB file : Tito_Scwrl_5DSE.pdb: