Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNSELDYYEKFEEVHGILMYKDFVKYWDNVEAFQARPDDLVIATYPKSGTTWVSEIVYMIYKEGDVEKCKEDVIFNRIPFLECRKENLMNGVKQLDEMNSPRIVKTHLPPELLPASFWEKDCKIIYLCRNAKDVAVSFYYFFLMVAGHPNPGSFPEFVEKFMQGQVPYGSWYKHVKSWWEKGKSPRVLFLFYEDLKEDIRKEVIKLIHFLERKPSEELVDRIIHHTSFQEMKNNPSTNYTTLPDEIMNQKLSPFMRKGITGDWKNHFTVALNEKFDKHYEQQMKESTLKFRTEI
1AQU Chain:A ((9-296))
-----EYYEVFGEFRGVLMDKRFTKYWEDVEMFLARPDDLVIATYPKSGTTWISEVVYMIYKEG-------DAIFNRIPYLECRNEDLINGIKQLKEKESPRIVKTHLPPKLLPASFWEKNCKMIYLCRNAKDVAVSYYYFLLMITSYPNPKSFSEFVEKFMQGQVPYGSWYDHVKAWWEKSKNSRVLFMFYEDMKEDIRREVVKLIEFLERKPSAELVDRIIQHTSFQEMKNNPSTNYTMMPEEMMNQKVSPFMRKGIIGDWKNHFPEALRERFDEHYKQQMKDCTVKFRME-
General information:
TITO was launched using:
RESULT:
Template:
1AQU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -159090 for 2158 contacts (-73.7/contact) +
2D Compatibility (PS) -30309 + (NN) -17982 + (LL) 1092
1D Compatibility (HY) -40000 + (ID) 10900
Total energy: -257189.0 ( -119.18 by residue)
QMean score : 0.809
(partial model without unconserved sides chains):
PDB file :
Tito_1AQU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1AQU-query.scw
PDB file :
Tito_Scwrl_1AQU.pdb
: