Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKAWIRQLLYKIKQSSGAVFLCFVLKNLKFVFVSFRKIRYTVCKRFQRSPVMAKTFFIPNKQSILGEQEILNAKSILALLDGLESHSYDVVYLRQPLNRLEYIECAIVGQSQFLFKVSYADGQKAYRVDLPDLLTKTDWQIIKSFLDALLAYTGTDIEGLDGFDFEAYFQASIQAYLADPVARFTICQGIFNPIFFSRENLKSFLEADGLAQFEARVRAVQETDAYFARVSFYQDGEGKVHGVYHLAQGVKTVLPREPFVPAAYIEQLVDKEVQWEIDLVQITGDGSKPEDYEAIARLDYAKFLEVLPPSFYHQLDANQIEIQPILGQDFKTLAQEK 1T6A Chain:A ((62-113)) -----------------------------------------------------------------------------------------------DGRLYKGMAISVRTA----------GEETFIDIALPPGATHGDKGKANEFSKWLAKTLGGEL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1T6A.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 : 120 -15251 -127.09 -293.29 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.51 3D Compatibility (PKB) : -127.09 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.459

(partial model without unconserved sides chains): PDB file : Tito_1T6A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1T6A-query.scw PDB file : Tito_Scwrl_1T6A.pdb: