Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
------------MRAELAVYFIAGTQDIVRGTLPSVLEEALKGGITCFQYREKGAGSLQTASERKEMALECQKLCAKYQVPFIINDDVALALEIGADGIHVGQTDEAIRQVIASCSGKMKIGLSVHSVSEAKEAERLGAVDYIGVGPIFPTISKADAEPVSGTAILEEIRRAGITIPIVGIGGINETNSAEVLTAGADGVSVISAITQSDDCHSVIKQLKNPGSPS----
2TPS Chain:A ((2-227))
HGIRMTRISREMMKELLSVYFIMGSNN-TKADPVTVVQKALKGGATLYQFREKG-GDALTGEARIKFAEKAQAACREAGVPFIVNDDVELALNLKADGIHIGQEDANAKEVRAAI-GDMILGVSAHTMSEVKQAEEDGA-DYVGLGPIYPTETKKDTRAVQGVSLIEAVRRQGISIPIVGIGGITIDNAAPVIQAGADGVSMISAISQAEDPESAARKFREEIQTYKTGR
General information:
TITO was launched using:
RESULT:
Template:
2TPS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -127380 for 1799 contacts (-70.8/contact) +
2D Compatibility (PS) -23621 + (NN) -15343 + (LL) 512
1D Compatibility (HY) -14400 + (ID) 5050
Total energy: -185282.0 ( -102.99 by residue)
QMean score : 0.681
(partial model without unconserved sides chains):
PDB file :
Tito_2TPS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2TPS-query.scw
PDB file :
Tito_Scwrl_2TPS.pdb
: