Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKIAMANFKSAMPVFKSHAYLKELEKTLKPQHFDRVFVFPDFLGLLPNAFLHFTLGAQNAYPRDCGAFTGEITSKHLEELKIHTLLIGHSERRVLLKESPSFLKEKFDFFKGKNFKIVYCIGEDLTTREKG--FRAVKEFLSEQLENIDLNYSNLIVAYEPIWAIGTKKSASLEDIYLTHGFLKQILNQKTP--------LLYGGSVNAQNAKEILGIDSVDGLLIGSASLELENFKTIISFL
2YPI Chain:B ((57-238))
----------------------------------------------------QVTVGAQNAYLKASGAFTGENSVDQIKDVGAKWVILGHSERRSYFHEDDKFIADKTKFALGQGVGVILCIGETLEEKKAGKTLDVVERQLNAVLEEVK-DWTNVVVAYEPVWAIGTGLAATPEDAQDIHASIRKFLASKLGDKAASELRILYGGSANGSNAVTFKDKADVDGFLVGGASLKPEFVDIINSRN
General information:
TITO was launched using:
RESULT:
Template:
2YPI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -68555 for 1312 contacts (-52.3/contact) +
2D Compatibility (PS) -17957 + (NN) -3917 + (LL) 4452
1D Compatibility (HY) -12000 + (ID) 3400
Total energy: -101377.0 ( -77.27 by residue)
QMean score : 0.415
(partial model without unconserved sides chains):
PDB file :
Tito_2YPI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2YPI-query.scw
PDB file :
Tito_Scwrl_2YPI.pdb
: