Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------------------------------------------------GECHITIWEGNTPIGTEIAIEGREYVTIAGYQCNAGAGCT--AHCIGLPKNLKERGVYH------------------------------------------------------------------------- 1KRR Chain:A ((2-201)) NMPMTERIRAGKLFTDMCEGLPEKRLRGKTLMYEFNHSHPSEVEKRESLIKEMFATVGENAWVEPPVYFSYGSNIHI---GRNFYANFNLTIVDDYTVTI-GDNVLIAPNVTLSVTGHPVHHELRKNGEMYSFPITIGNNVWIGSHVVINPGVTIGDNSVIGAGSIVTKDIPPNVVAAGVPCRVIREINDRDKHYYFKDYKVES

General information: TITO was launched using: RESULT: Template: 1KRR.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 : 88 1921 21.83 36.25 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : 21.83 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.249

(partial model without unconserved sides chains): PDB file : Tito_1KRR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1krr-query.scw PDB file : Tito_Scwrl_1KRR.pdb: