Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKKTFSAYNFLTALILCLLTVLFIFPFYWIMTGAFKSQPDTIIIPPQWWPKAPTLENFKALTVQNPALRWLWNSVFISIMTMFLVCCTSSMAGYVLAKKRFYGQKIL------FSLFIAAMALPKQVVLVP-LVRIINFMGIHDTLWAVILPLVGWPFGVFLMKQFSENIPTELLESAKIDGCGEIRTFINVAFPIVKPGFAALAIFTFINTWNDYFMQLVMLTSRNNLTISLGVATMQAEMATNYGLIMAGAALAAVPIVTVFLVFQKSFTQGITMGAVKG
3PUX Chain:G ((80-296))
------------------------------------------------------------------PVLLWLWNSVKVAGISAIGIVALSTTCAYAFARMRFPGKATLLKGMLIFQMFPAVLSLVALYALFDRLGEYIPFIGLNTHGGVIFAYLGGIALHVWTIKGYFETIDSSLEEAAALDGATPWQAFRLVLLPLSVPILAVVFILSFIAAITEVPVASLLLRDVNSYTLAVGMQQYLNPQNYLWGDFAAAAVMSALPITIVFLLAQRWLVNGLTAGGVKG
General information:
TITO was launched using:
RESULT:
Template:
3PUX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -162688 for 1489 contacts (-109.3/contact) +
2D Compatibility (PS) -21574 + (NN) -2660 + (LL) 5612
1D Compatibility (HY) -18000 + (ID) 3150
Total energy: -202460.0 ( -135.97 by residue)
QMean score : 0.308
(partial model without unconserved sides chains):
PDB file :
Tito_3PUX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PUX-query.scw
PDB file :
Tito_Scwrl_3PUX.pdb
: