Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKEGFAVIGLGRFGGSICRSLVEQGMEVLAIDSDEERVNEYMSIATHAVIANSTDENALRQLGIRNFEHVIVAIGEDIQSSILTTLILKEMGVKYVTAKATNDKHAKLLDKIGADRVVHPERDMGRRIAHYIVSKNMLDYLELSDEYSLVEISVSDPRFLGKSLVDLDFRNSFGVNIVGIKKDKQMIITPEANDVLHEGDILIVIGSDDDIERLQEKIQ
2HMS Chain:D ((9-140))
----FAVIGLGRFGGSIVKELHRMGHEVLAVDINEEKVNAYASYATHAVIANATEENELLSLGIRNFEYVIVAIGANIQASTLTTLLLKELDIPNIWVKAQNYYHHKVLEKIGADRIIHPEKDMGVKIAQSLSDEN-----------------------------------------------------------------------------------
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) -114779 for 1026 contacts (-111.9/contact) +
2D Compatibility (PS) -13789 + (NN) -471 + (LL) 5880
1D Compatibility (HY) -13200 + (ID) 4100
Total energy: -140459.0 ( -136.90 by residue)
QMean score : 0.712
(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
: