Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNSELDYYEKFEEVHGILMYKDFVKYWDNVEAFQARPDDLVIATYPKSGTTWVSEIVYMIYKEGDVEKCKEDVIFNRIPFLECRKENLMNGVKQLDEMNSPRIVKTHLPPELLPASFWEKDCKIIYLCRNAKDVAVSFYYFFLMVAGHPNPGSFPEFVEKFMQGQVPYGSWYKHVKSWWEKGKSPRVLFLFYEDLKEDIRKEVIKLIHFLERKPSEELVDRIIHHTSFQEMKNNPSTNYTTLPDEIMNQKLSPFMRKGITGDWKNHFTVALNEKFDKHYEQQMKESTLKFRTEI
3BFX Chain:A ((12-296))
---------KLKEVEGTLLQPATVDNWSQIQSFEAKPDDLLICTYPKAGTTWIQEIVDMIEQNG-------------HPFIEWARPPQPSGVEKAKAMPSPRILKTHLSTQLLPPSFWENNCKFLYVARNAKDCMVSYYHFQRMNHMLPDPGTWEEYFETFINGKVVWGSWFDHVKGWWEMKDRHQILFLFYEDIKRDPKHEIRKVMQFMGKKVDETVLDKIVQETSFEKMKEN-------------------FMRKGTVGDWKNHFTVAQNERFDEIYRRKMEGTSINFSMEL
General information:
TITO was launched using:
RESULT:
Template:
3BFX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -155730 for 2020 contacts (-77.1/contact) +
2D Compatibility (PS) -26971 + (NN) -13804 + (LL) 2160
1D Compatibility (HY) -25200 + (ID) 6200
Total energy: -225745.0 ( -111.75 by residue)
QMean score : 0.648
(partial model without unconserved sides chains):
PDB file :
Tito_3BFX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BFX-query.scw
PDB file :
Tito_Scwrl_3BFX.pdb
: