Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLEKVNEAVAKIRESYTGTPKIGLILGSGLGVLADEVNQPIKLSYSEIPHFPVSTVEGHAGQFVFGELENKEVVAMQGRFHFYEGYSMQDVTFPVRVMKELGVEVLIVTNAAGGVNELYSAGDLMLISDHINFTG---TSPLIGPNDEHFGPRFPDMSEAYNLALRVDARLIAQE--LNLTIREGVYAGFSGPTYETPAEIQMMRTLGADAVGMSTVPEVIIANHAGLRVLGISCITNMAAGILDQPLSHTEVIETTDQVRSTFLQYVKAIVAKIS
3FNQ Chain:B ((8-284))
-NIENVKKVAHHIQKLTSIVPEIGIICGS----LADGVKDKITIPYTKIPNFPQT------GNLIFGTLSGRKVVVMQGRFHMYEGYSNDTVALPIRVMKLLGVKILMVSNAAGGLNRSLKLGDFVILKDHIYLPGLGLNNILVGPNQEAFGTRFPALSNAYDRDLRKLAVQVAEENGFGNLVHQGVYVMNGGPCYETPAECTMLLNMGCDVVGMSTIPEVVIARHCGIQVFAVSLVTNISVLDVESDL-HEEVLATGAQRAELMQSWFEKIIEKL-
General information:
TITO was launched using:
RESULT:
Template:
3FNQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -185857 for 2275 contacts (-81.7/contact) +
2D Compatibility (PS) -27925 + (NN) -14090 + (LL) 540
1D Compatibility (HY) -28400 + (ID) 5750
Total energy: -261482.0 ( -114.94 by residue)
QMean score : 0.538
(partial model without unconserved sides chains):
PDB file :
Tito_3FNQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3FNQ-query.scw
PDB file :
Tito_Scwrl_3FNQ.pdb
: