Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFELKNIAYRYKGNDNKTLENINYSFQSGVFYTILGNSDSGKTTLLSLMAGLDSPTEGQVLFNKKDIKEAGYAQHRKKNIALVFQNYNLLDYLTPLENVQLVKP----------TADKQLLLDLGLKEDMLTRNILRLSGGQQQRVAIARALVAGTPAILLDEPTGNLDFDIARDITMRLKDFAHKEKRCVIMVTHSREIAH-MADTALQLTGDNLKELSKESIAQSILQQRNL
1Z47 Chain:A ((15-229))
-IEFVGVEKIYPG-GARSVRGVSFQIREGEMVGLLGPSGSGKTTILRLIAGLERPTKGDVWIGGKRVTDLPP--Q-KRNVGLVFQNYALFQHMTVYDNVSFGLREKRVPKDEMDARVRELLRFMRLES-YANRFPHELSGGQQQRVALARALAPRPQVLLFDEPFAAIDTQIRRELRTFVRQVHDEMGVTSVFVTHDQEEALEVADRVLVLHEGNVEQFGTPEEVYEKPGTLFV
General information:
TITO was launched using:
RESULT:
Template:
1Z47.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -125870 for 1641 contacts (-76.7/contact) +
2D Compatibility (PS) -22498 + (NN) -12834 + (LL) 416
1D Compatibility (HY) -16800 + (ID) 3450
Total energy: -181036.0 ( -110.32 by residue)
QMean score : 0.526
(partial model without unconserved sides chains):
PDB file :
Tito_1Z47.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1Z47-query.scw
PDB file :
Tito_Scwrl_1Z47.pdb
: