Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKLMVVLSLIAAAWAEEQNKLVHGGPCDKTSHPYQAALYTSGHLLCGGVLIHPLWVLTAAHCKKPNLQVFLGKHNLRQRESSQEQSSVVRAVIHPDYDAASHDQDIMLLRLARPAKLSELIQPLPLERDCSANTTSCHILGWGKTADGDFPDTIQCAYIHLVSREECEHAYPGQITQNMLCAGDEKYGKDSCQGDSGGPLVCGDHLRGLVSWGNIPCGSKEKPGVYTNVCRYTNWIQKTIQAK
3VFE Chain:A ((1-222))
---------------------LVHGGPCDKTSHPYQAALYTSGHLLCGGVLIHPLWVLTAAHCKKPNLQVFLGKHNLGQQESSQEQSSVVRAVIHPDYDAASHDQDIMLLRLARPAKLSELIQPLPLERDCSAQTTSCHILGWGKTADGDFPDTIQCAYIHLVSREECEHAYPGQITQNMLCAGDEKYGKDSCQGDSGGPLVCGDHLRGLVSWGNIPCGSKEKPGVYTNVCRYTNWIQKTIQA-
General information:
TITO was launched using:
RESULT:
Template:
3VFE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -145503 for 1939 contacts (-75.0/contact) +
2D Compatibility (PS) -24061 + (NN) -12904 + (LL) 2740
1D Compatibility (HY) -29600 + (ID) 10950
Total energy: -220278.0 ( -113.60 by residue)
QMean score : 0.750
(partial model without unconserved sides chains):
PDB file :
Tito_3VFE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VFE-query.scw
PDB file :
Tito_Scwrl_3VFE.pdb
: