Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMLRTEKEKMAAGELYNSEDQQLLLERKHARQLIRQYNET-PEDDAVRTKLLKELLGSVGDQVTILPTFRCDYGYHIHIGDHTFVNFDCVILDVCEVRIGCHCLIAPGVHIYTAGHPLDPIERKSGKEFGKPVTIGDQVWIGGRAVINPGVTIGDNAVIASGSVVTKDVPANTVVGGNPARILKQL
1KQA Chain:C ((7-185))------ERIRAGKLFTDMCEGLPEKRLRGKTLMYEFNHSHPSEVEKRESLIKEMFATVGENAWVEPPVYFSYGSNIHIGRNFYANFNLTIVDDYTVTIGDNVLIAPNVTLSVTGHPVHHELRKNGEMYSFPITIGNNVWIGSHVVINPGVTIGDNSVIGAGSIVTKDIPPNVVAAGVPCRVIREI


General information:
TITO was launched using:
RESULT:

Template: 1KQA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 898 -58220 -64.83 -327.08
target 2D structure prediction score : 0.52
Monomeric hydrophicity matching model chain C : 0.82

3D Compatibility (PKB) : -64.83
2D Compatibility (Sec. Struct. Predict.) : 0.52
1D Compatibility (Hydrophobicity) : 0.82
QMean score : 0.676

(partial model without unconserved sides chains):
PDB file : Tito_1KQA.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1KQA-query.scw
PDB file : Tito_Scwrl_1KQA.pdb: