Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFFQIQYKSSTRDGGNNVNGLFITIEGPDGAGKTSILNELYPLLKEVAKTEIIQT-REPGGIPIAEEIRAVILDPKND-RMDERTEALLYAAARRQHLVEKVLPALAKGKIVLCDRFVDSSLAYQGAGRRIGVTEIARLNEFATEGTTPDFTLYLDVDSDTGLRRIKKNRQNQIDRLDSEGLEFHQRVRHAYLKLAEENPERIHKVDARKSFEEVLQTSYHTIIEQYPQFFEN 3N2I Chain:B ((26-232)) ------------------NAKFIVIEGLEGAGKSTAIQVVVETLQQ-NGIDHITRTREPGGTLLAEKLRALVKEEHPGEELQDITELLLVYAARVQLVENVIKPALARGEWVVGDRHDMSSQAYQGGGRQIAPSTMQSLKQTALGDFKPDLTLYLDIDPKLGLERARGRG--ELDRIEKMDISFFERARERYLELANS-DDSVVMIDAAQSIEQVTADIRRALQDWLSQ----

General information: TITO was launched using: RESULT: Template: 3N2I.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 974 40989 42.08 199.95 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : 42.08 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.500

(partial model without unconserved sides chains): PDB file : Tito_3N2I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3N2I-query.scw PDB file : Tito_Scwrl_3N2I.pdb: