Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREPDFLNHFLKKGYFKKHAKAVLALSGGLDSMFLFKVLSTYQKE-LEIELILAHVNHKQRIESDWEEKELRKLAAEAELPIYISNFS----GEFSEARARNFRYDFFQEVMKKTGATALVTAHHADDQVETIFMRLIRGTRLRYLSGIKEKQVVGEIEIIRPFLHFQKKDFP------SIFHFEDTSNQENHYFRNRIRNSYLPELEKENPRFRDAILGIGNEILDYDLAIAELSNNINVEDLQQLFSYSESTQRVLLQTYLNRFPDLNLTKAQFAEVQQILKFKSQYRHPIKNGYELIKEYQQFQICK--ISPQADEKEDELVLHYQNQ--------------VAYQGYLFSFGLPLEGELIQQ------IPVSRETSIHIRHRKTG--DVLIKNGHRKKLRRLFIDLKIPMEKRNSALIIEQFGEIVSILGIATNNLSKKTKNDIMNTVLYIEKIDR 1NI5 Chain:A ((16-409)) ----------------------LVAFSGGLDSTVLLHQLVQWRTENPGVALRAIHVHHGLSANADAWVTHCENVCQQWQVPLVVERVQLAQEGLGIEAQARQARYQAFARTLLP--GEVLVTAQHLDDQCETFLLALKRGSGPAGLSAMAEVSEFAGTRLIRPLLARTRGELVQWARQYDLRWIEDESNQDDSYDRNFLRLRVVPLLQQRWPHFAEAT--------ARSAALCAEQESLLDELLADDLAHCQSP-----QGTLQIVPMLAMSDARRAAI--IRRWLAGQNAPMPSRDALVRIWQEVALAREDASPCLRLGAFE-IRRYQSQLWWIKSVTGQSENIVPWQTWLQPLELPAGLGSVQLNAGGDIRPPRADEAVSVRFKAPGLLHIVGRNGGR-KLKKIWQELGVPPWLRDTTPLLFYGETLIAAAGV-------------------------

General information: TITO was launched using: RESULT: Template: 1NI5.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 : 1411 12838 9.10 35.76 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 9.10 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.329

(partial model without unconserved sides chains): PDB file : Tito_1NI5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NI5-query.scw PDB file : Tito_Scwrl_1NI5.pdb: