Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHTDLTPCTRVLASSGTVPIAEELLARVLEPYSCKGCRYLIDAQYSATEDSVLAYGNFTIGESAYIRSTGHFNAVELILCFNQLAYSAFAPAVLNEEIRVLRGWSIDDYCQHQLSSMLIRKASSRFRKPLNPQKFSARLLCRDLQVIERTWRYLKVPCVIEFWDENGG-AASGEIELAALNIP
3CK1 Chain:A ((16-117))
-----------------------------------------------------------------HCDAAGIVFYPR---------YFEMLNDFIEDWFAQALDWPFDAMHGAGQAGVPTADLHCRFVAPSRLGE---TLTRELRVVK-LGQSS--FTVQVRFMGPDSGLRLEVTQRLVCVD--
General information:
TITO was launched using:
RESULT:
Template:
3CK1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -40601 for 643 contacts (-63.1/contact) +
2D Compatibility (PS) -10154 + (NN) 5658 + (LL) 6004
1D Compatibility (HY) -1600 + (ID) 600
Total energy: -41293.0 ( -64.22 by residue)
QMean score : 0.313
(partial model without unconserved sides chains):
PDB file :
Tito_3CK1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CK1-query.scw
PDB file :
Tito_Scwrl_3CK1.pdb
: