Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKIAMANFKSAMPVFKSHAYLKELEKTLKPQHFDRVFVFPDFLGLLPNAFLHFTLGAQNAYPRDCGAFTGEITSKHLEELKIHTLLIGHSERRVLLKESPSFLKEKFDFFKGKNFKIVYCIGEDLTTREKG--FRAVKEFLSEQLENIDLNYSNLIVAYEPIWAIGTKKSASLEDIYLTHGFLKQILNQKTP--------LLYGGSVNAQNAKEILGIDSVDGLLIGSASLELENFKTIISFL
3YPI Chain:B ((57-238))
----------------------------------------------------QVTVGAQNAYLKASGAFTGENSVDQIKDVGAKWVILGQSERRSYFHEDDKFIADKTKFALGQGVGVILCIGETLEEKKAGKTLDVVERQLNAVLEEVK-DWTNVVVAYEPVWAIGTGLAATPEDAQDIHASIRKFLASKLGDKAASELRILYGGSANGSNAVTFKDKADVDGFLVGGASLKPEFVDIINSRN
General information:
TITO was launched using:
RESULT:
Template:
3YPI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -72014 for 1290 contacts (-55.8/contact) +
2D Compatibility (PS) -17951 + (NN) -6518 + (LL) 4452
1D Compatibility (HY) -12000 + (ID) 3350
Total energy: -107381.0 ( -83.24 by residue)
QMean score : 0.469
(partial model without unconserved sides chains):
PDB file :
Tito_3YPI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3YPI-query.scw
PDB file :
Tito_Scwrl_3YPI.pdb
: