Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDYKKYQIIYAPDVLEKLKEIRDY-ISQNYSSTSGQRKMEQIINDIEKL-EVFPEVGFDADEKYGSEISNYHSTRGYT-LSKDYIVLYHIEEEENRVVIDYLL-------PTRSDYMKLFK-
4HR1 Chain:A ((3-120))
FNGAQTVIQKISWLRTAIAFLKGYMETTGAT----KKELEQVEKLKERVDEIATAVNWDVYAQYARGDFNLLSDDEYKEIQKALLVLEDIKEQIIVEMLRVGLAQGQMGTLKISDYLDSLDS
General information:
TITO was launched using:
RESULT:
Template:
4HR1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -10123 for 672 contacts (-15.1/contact) +
2D Compatibility (PS) -11098 + (NN) 1579 + (LL) -176
1D Compatibility (HY) -5200 + (ID) 1050
Total energy: -26068.0 ( -38.79 by residue)
QMean score : 0.266
(partial model without unconserved sides chains):
PDB file :
Tito_4HR1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HR1-query.scw
PDB file :
Tito_Scwrl_4HR1.pdb
: