Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNSELDYYEKFEEVHGILMYKDFVKYWDNVEAFQARPDDLVIATYPKSGTTWVSEIVYMIYKEGDVEKCKEDVIFNRIPFLECRKENLMNGVKQLDEMNSPRIVKTHLPPELLPASFWEKDCKIIYLCRNAKDVAVSFYYFFLMVAGHPNPGSFPEFVEKFMQGQVPYGSWYKHVKSWWEKGKSPRVLFLFYEDLKEDIRKEVIKLIHFLERKPSEELVDRIIHHTSFQEMKNNPSTNYTTLPDEIMNQKLSPFMRKGITGDWKNHFTVALNEKFDKHYEQQMKESTLKFRTEI
2REO Chain:A ((43-305))
--------------------------------FQAKPDDLILATYPKSGTTWMHEILDMILN---------------------------------------QLIKTHLPSHLIPPSIWKENCKIVYVARNPKDCLVSYYHFHRMASFMPDPQNLEEFYEKFMSGKVVGGSWFDHVKGWWAAKDMHRILYLFYEDIKKDPKREIEKILKFLEKDISEEILNKIIYHTSFDVMKQNPMTNYTTLPTSIMDHSISPFMRKGMPGDWKNYFTVAQNEEFDKDYQKKMA-STLTFRTEI
General information:
TITO was launched using:
RESULT:
Template:
2REO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -130691 for 1698 contacts (-77.0/contact) +
2D Compatibility (PS) -24318 + (NN) -18096 + (LL) 5056
1D Compatibility (HY) -26400 + (ID) 6400
Total energy: -200849.0 ( -118.29 by residue)
QMean score : 0.591
(partial model without unconserved sides chains):
PDB file :
Tito_2REO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2REO-query.scw
PDB file :
Tito_Scwrl_2REO.pdb
: