Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNAQAEEFKKYLETNGIKPKQFHKKELIFNQWDPQEYCIFLYDGITKLTSISENGTIMNLQYYK-GAFVIMSGFIDTETSVGYYNLEVISEQATAYVIKINELKELLSKNLTHFFYVFQTLQKQVSYSLAKFNDFSINGKLGSICGQLLILTYVYGKETPDGIKITLDNLTMQELGYSSGIAHSSAVSRIISKLKQEKVIVYKNSCFYVQNLDYLKRYAPKLDEWFYLACPATWGKLN
2GAU Chain:A ((21-231))
---LNEEERELLDK-EIQPFPCKKASTVFSEGDIPNNLFYLYEGKIKILR-----RFHISRIVKPGQFFGMRPYFAEE-T-CSSTAIAVEN-SKVLAIPVEAIEALLKGNTSFCRYFLKALAKELGYAERRTVTLTQKHVRGRLAETLLILKENFGFEN-D-GATLSIYLSREELATLSNMTV-SNAIRTLSTFVSERMLALDGKRIKIIDCDRLQKTARS-----------------
General information:
TITO was launched using:
RESULT:
Template:
2GAU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117561 for 1505 contacts (-78.1/contact) +
2D Compatibility (PS) -21618 + (NN) -2542 + (LL) 1404
1D Compatibility (HY) -7600 + (ID) 2200
Total energy: -150117.0 ( -99.75 by residue)
QMean score : 0.474
(partial model without unconserved sides chains):
PDB file :
Tito_2GAU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GAU-query.scw
PDB file :
Tito_Scwrl_2GAU.pdb
: