Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKIAMANFKSAMPVFKSHAYLKELEKTLKPQHFDRVFVFPDFLGLLPNAFLHFTLGAQNAYPRDCGAFTGEITSKHLEELKIHTLLIGHSERRVLLKESPSFLKEKFDFFKGKNFKIVYCIGEDLTTREKGFRAVKEFLSEQLEN-IDL--NYSNLIVAYEPIWAIGTKKSASLEDIYLTHGFLKQILN--------QKTPLLYGGSVNAQNAKEILGIDSVDGLLIGSASLELENFKTIISFL
3PSW Chain:B ((59-244))
-----------------------------------------------------FSTGIQNVSKFGNGSYTGEVSAEIAKDLNIEYVIIGHFQRRKYFHETDEDVREKLQASLKNNLKAVVCFGESLEQREQN--KTIEVITKQVKAFVDLIDNFDNVILVYEPLWAIGTGKTATPEQAQLVHKEIRKIVKDTCGEKQANQIRILYGGS------SSLIQQEDIDGFLVGNASLK-ESFVDIIKSA
General information:
TITO was launched using:
RESULT:
Template:
3PSW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -77625 for 1223 contacts (-63.5/contact) +
2D Compatibility (PS) -17872 + (NN) -4141 + (LL) 5168
1D Compatibility (HY) -13200 + (ID) 3200
Total energy: -110870.0 ( -90.65 by residue)
QMean score : 0.589
(partial model without unconserved sides chains):
PDB file :
Tito_3PSW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PSW-query.scw
PDB file :
Tito_Scwrl_3PSW.pdb
: