Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLEKVNEAVAKIRESYTGTPKIGLILGSGLGVLADEVNQPIKLSYSEIPHFPVSTVEGHAGQFVFGELENKEVVAMQGRFHFYEGYSMQDVTFPVRVMKELGVEVLIVTNAAGGVNELYSAGDLMLISDHINFTG---TSPLIGPNDEHFGPRFPDMSEAYNLALRVDARLIAQE--LNLTIREGVYAGFSGPTYETPAEIQMMRTLGADAVGMSTVPEVIIANHAGLRVLGISCITNMAAGILDQPL--SHTEVIETTDQVRSTFLQYVKAIVAKIS
3IEX Chain:A ((8-284))
-NIENVKKVAHHIQKLTSIVPEIGIICGSGLG----GVKDKITIPYTKIPNFPQTS----SGNLIFGTLSGRKVVVMQGRFHMYEGYSNDTVALPIRVMKLLGVKILMVSNAAGGLNRSLKLGDFVILKDHIYLPGLGLNNILVGPNQEAFGTRFPALSNAYDRDLRKLAVQVAEENGFGNLVHQGVYVMNGGPCYETPAECTMLLNMGCDVVGMSTIPEVVIARHCGIQVFAVSLVTNISVLDVESDLKPNHEEVLATGAQRAELMQSWFEKIIEKL-
General information:
TITO was launched using:
RESULT:
Template:
3IEX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -179150 for 2302 contacts (-77.8/contact) +
2D Compatibility (PS) -28362 + (NN) -14410 + (LL) 784
1D Compatibility (HY) -28400 + (ID) 5750
Total energy: -255288.0 ( -110.90 by residue)
QMean score : 0.536
(partial model without unconserved sides chains):
PDB file :
Tito_3IEX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IEX-query.scw
PDB file :
Tito_Scwrl_3IEX.pdb
: