Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRKNKKNSKAAEKALKVTINGKEETVYEQETPETEANKSMTFSNWEEKRQAEQEVAASQEHPDEDEFNWDSEEDKVFKEDPKVVPPFQKKKTKLYAKGKTGAAKPVKRVAATIAFAAVIGTGLGLFALNISGNKEASAPASLEDSLGSQTAKAGDTSADKQTSGAEKQAAQTEGTYKTYAVQAGKFSNEKGAETLTEQLTEKGYSAVSLSKDDGYTYVIAGLASEKEVSQQLGQVLIDSDFEAWGGKELSLSIESDMTDSFKETAELAAKAILDEDITKASVEKIEKSLGETKASETGEKKAILQALKELEDPSAEAGWKAQQELLAVVK 4G1I Chain:B ((157-195)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GVTFVIQGALDDVEILR--ARQFVDSYYRTWGGRYVQFAIE----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4G1I.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 : 72 -14052 -195.17 -360.31 target 2D structure prediction score : 0.79 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -195.17 2D Compatibility (Sec. Struct. Predict.) : 0.79 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.423

(partial model without unconserved sides chains): PDB file : Tito_4G1I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4G1I-query.scw PDB file : Tito_Scwrl_4G1I.pdb: