Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDYKKYQIIYAPDVLEKLKEIRDYISQNYSSTSGQRKMEQIINDIEKLEVFPEVGFDADEKYGSEISNYHSTRGYTLSKDYIVLYHIEEEENRVVIDYLLPTRSDYMKLFK
3WHS Chain:A ((157-246))
----KGTAVGVPGTLKGLEEALDKW--------GTRSMKQLITPSIKLA---EKGFPIDSVLAEAISDYQEKLSRTAAKDVFLPNGEPLKEGDTLI------QKDLAKTFK
General information:
TITO was launched using:
RESULT:
Template:
3WHS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) 6921 for 489 contacts (14.2/contact) +
2D Compatibility (PS) -8878 + (NN) 3356 + (LL) 824
1D Compatibility (HY) -1200 + (ID) 1450
Total energy: -427.0 ( -0.87 by residue)
QMean score : 0.184
(partial model without unconserved sides chains):
PDB file :
Tito_3WHS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WHS-query.scw
PDB file :
Tito_Scwrl_3WHS.pdb
: