Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
----------------------------------MSTVHSSIDQHPDLLALRASFDRAAESTIAHFTFGLALLAGLYVAASPWI---VGFSATRGLPTCD--LIVGIAVAYLAYGFASALDRTHGMTWTLPVL---GVWVIFSPWVLPGVA------VTAGMMWSHIIAGAVVAVLGFYFGMRTRAAANQG----------
1KRR Chain:A ((2-201))
NMPMTERIRAGKLFTDMCEGLPEKRLRGKTLMYEFNHSHPS-EVEKRESLIKEMFATVGENAWVEPPVYFSYGSNIHIGRNFYANFNLTIVDDYTVTIGDNVLIAPNVTLSVTGHPVHHELRKNGEMYSFPITIGNNVWIGSHVVINPGVTIGDNSVIGAGSIVTKDIPPNVVAAGVPCRVIREINDRDKHYYFKDYKVES
General information:
TITO was launched using:
RESULT:
Template:
1KRR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -128362 for 960 contacts (-133.7/contact) +
2D Compatibility (PS) -15640 + (NN) 2922 + (LL) 204
1D Compatibility (HY) -2800 + (ID) 1100
Total energy: -144776.0 ( -150.81 by residue)
QMean score : 0.130
(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
: