Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKEGFAVIGLGRFGGSICRSLVEQGMEVLAIDSDEERVNEYMSIATHAVIANSTDENALRQLGIRNFEHVIVAIGEDIQSSILTTLILKEMGVKYVTAKATNDKHAKLLDKIGADRVVHPERDMGRRIAHYIVSKNMLDYLELSDEYSLVEISVSDPRFLGKSLVDLDFRNSFGVNIVGIKKDKQMIITPEANDVLHEGDILIVIGSDDDIERLQEKIQ
2HMS Chain:A ((9-144))
----FAVIGLGRFGGSIVKELHRMGHEVLAVDINEEKVNAYASYATHAVIANATEENELLSLGIRNFEYVIVAIGANIQASTLTTLLLKELDIPNIWVKAQNYYHHKVLEKIGADRIIHPEKDMGVKIAQSLSDENVLNY-------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2HMS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -108308 for 1032 contacts (-104.9/contact) +
2D Compatibility (PS) -14541 + (NN) -2059 + (LL) 5480
1D Compatibility (HY) -14400 + (ID) 4200
Total energy: -138028.0 ( -133.75 by residue)
QMean score : 0.720
(partial model without unconserved sides chains):
PDB file :
Tito_2HMS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HMS-query.scw
PDB file :
Tito_Scwrl_2HMS.pdb
: