Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKIAMANFKSAMPVFKSHAYLKELEKTLKPQHFDRVFVFPDFLGLLPNAFLHFTLGAQNAYPRDCGAFTGEITSKHLEELKIHTLLIGHSERRVLLKESPSFLKEKFDFFKGKNFKIVYCIGEDLTTREKG--FRAVKEFLSEQLENIDLNYSNLIVAYEPIWAIGTKKSASLEDIYLTHGFLKQILNQKTP--------LLYGGSVNAQNAKEILGIDSVDGLLIGSASLELENFKTIISFL
3YPI Chain:A ((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) -76560 for 1292 contacts (-59.3/contact) +
2D Compatibility (PS) -18183 + (NN) -7116 + (LL) 4452
1D Compatibility (HY) -12000 + (ID) 3350
Total energy: -112757.0 ( -87.27 by residue)
QMean score : 0.497
(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
: