Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDKIKIVLVDDHEMVRLGLKSFLNLQADVEVIGEASNGLEGIKKALELRPDVVVMDLVMPEMDGVEATLALLKDWPEAAILVLTSYLDNEKIYPVIEAGAKGYMLKTSSAAEILNAIRKVARGEQAIENEVDKKIKAHDKCPALHEGLTARERDILNLLAKGYDNQRIADELFISLKTVKTHVSNILGKLNVADRTQAVVYAFQHHLVPQDDE
4LE2 Chain:B ((6-125))
---ISIFIAEDQQMLLGALGSLLNLEDDMEVVGKGTTGQDAVDFVKKRQPDVCIMDIEMPGKTGLEAA-EELKDTG-CKIIILTTF--PGYFQRAIKAGVKGYLLKDSPSEELANAIRSVMNGKRIYAPELMED-------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4LE2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -86752 for 950 contacts (-91.3/contact) +
2D Compatibility (PS) -12991 + (NN) -7714 + (LL) 6900
1D Compatibility (HY) -9200 + (ID) 2300
Total energy: -112057.0 ( -117.95 by residue)
QMean score : 0.629
(partial model without unconserved sides chains):
PDB file :
Tito_4LE2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4LE2-query.scw
PDB file :
Tito_Scwrl_4LE2.pdb
: