Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKGQLFIGALTCLVASMSWGAMFPVADHALEFVDPFYFSFIRYGVVTIMLVILLLVREGKKSFHLEGKAKWIILFGVMAFTIYNVLIFLGQRLMGKSGIMTASIAEALMPMLSIVILWGYKHVKPKKYTMISILIAFLGASMVITKGNISFFFSLGDHLFSILFIFIGVLGWVVYTMGGQIFREWSTLRYSTLTCLFGTAITGIMTAILTAQGYVSVPSIKVIAAIKYDFLFMITLPGIIALLSWNYGIKILSSINGILFINFVPITTLLIMVIKGYNITAFDIVGTLFVIIGLILNNIYQRKEDYKQVLQKEKTNLTIT 2HSQ Chain:B ((1-23)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AIYEKAKEVSSALSKVLSKIDDT

General information: TITO was launched using: RESULT: Template: 2HSQ.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 : 3 507 168.83 22.02 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.34 3D Compatibility (PKB) : 168.83 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.34 QMean score : 0.742

(partial model without unconserved sides chains): PDB file : Tito_2HSQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HSQ-query.scw PDB file : Tito_Scwrl_2HSQ.pdb: