Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKGQLFIGALTCLVASMSWGAMFPVADHALEFVDPFYFSFIRYGVVTIMLVILLLVREGKKSFHLEGKAKWIILFGVMAFTIYNVLIFLGQRLMGKSGIMTASIAEALMPMLSIVILWGYKHVKPKKYTMISILIAFLGASMVITKGNISFFFSLGDHLFSILFIFIGVLGWVVYTMGGQIFREWSTLRYSTLTCLFGTAITGIMTAILTAQGYVSVPSIKVIAAIKYDFLFMITLPGIIALLSWNYGIKILSSINGILFINFVPITTLLIMV-IKGYNITAFDIVGTLFV--IIGLILNNIYQRKEDYKQVLQKEKTNLTIT 4HE8 Chain:J ((127-160)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LGPLLYGDWLFVLLAVGFLLMAATVVAVALVEPG-------------------

General information: TITO was launched using: RESULT: Template: 4HE8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 16 -2355 -147.16 -75.95 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain J : 0.36 3D Compatibility (PKB) : -147.16 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.36 QMean score : 0.208

(partial model without unconserved sides chains): PDB file : Tito_4HE8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HE8-query.scw PDB file : Tito_Scwrl_4HE8.pdb: