Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRKNKKNSKAAEKALKVTINGKEETVYEQETPETEANKSMTFSNWEEKRQAEQEVAASQEHPDEDEFNWDSEEDKVFKEDPKVVPPFQKKKTKLYAKGKTGAAKPVKRVAATIAFAAVIGTGLGLFALNISGNKEASAPASLEDSLGSQTAKAGDTSADKQTSGAEKQAAQTEGTYKTYAVQAGKFSNEKGAETLTEQLTEKGYSAVSLSKDDGYTYVIAGLASEKEVSQQLGQVLIDSDFEAWGGKELSLSIESDMTDSFKETAELAAKAILDEDITKASVEKIEKSLGETKASETGEKKAILQALKELEDPSAEAGWKAQQELLAVVK 3GR0 Chain:A ((322-360)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GVTFVIQGALDDVEILR--ARQFVDSYYRTWGGRYVQFAIE----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3GR0.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 : 71 -14652 -206.36 -375.68 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -206.36 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.341

(partial model without unconserved sides chains): PDB file : Tito_3GR0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GR0-query.scw PDB file : Tito_Scwrl_3GR0.pdb: