Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKEGFAVIGLGRFGGSICRSLVEQGMEVLAIDSDEERVNEYMSIATHAVIANSTDENALRQLGIRNFEHVIVAIGEDIQSSILTTLILKEMGVKYVTAKATNDKHAKLLDKIGADRVVHPERDMGRRIAHYIVSKNMLDYLELSDEYSLVEISVSDPRFLGKSLVDLDFRNSFGVNIVGIKKDKQMIITPEANDVLHEGDILIVIGSDDDIERLQEKIQ
4J90 Chain:B ((9-218))
----FAVIGLGRFGGSICKELHRMGHEVLAVDINEEKVNAYASYATHAVIANATEENELLSLGIRNFEYVIVAIGANIQASTLTTLLLKELDIPNIWVKAQNYYHHKVLEKIGADRIIHPEKDMGVKIAQSLSDENVLNYIDLSDEYSIVEL-LATRKLDSKSIIDLNVRAKYGCTILAIKHHGDICLSPAPEDIIREQDCLVIMGHKKDIKRFE----
General information:
TITO was launched using:
RESULT:
Template:
4J90.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -153349 for 1592 contacts (-96.3/contact) +
2D Compatibility (PS) -22298 + (NN) -3117 + (LL) 668
1D Compatibility (HY) -25600 + (ID) 5550
Total energy: -209246.0 ( -131.44 by residue)
QMean score : 0.679
(partial model without unconserved sides chains):
PDB file :
Tito_4J90.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4J90-query.scw
PDB file :
Tito_Scwrl_4J90.pdb
: