Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVLDLFDLHGKRALITGASTGIGKRVALAYVEAGAQVAIAARHLDALEKLADEIGTSGGKVVPVCCDVSQHQQVTSMLDQVTAELGGIDIAVCNAGIITVTPMLDMPLEEFQRLQNTNVTGVFLTAQAAAKAMVKQGQGGVIINTASMSGHIINVPQQVSHYCASKAAVIHLTKAMAVELAPHKIRVNSVSPGYILTELVEPYT-E--YQPLWEPKIPLGRLGRPEELAGLYLYLASEASSYMTGSDIVIDGGYTCP
4G81 Chain:D ((3-252))
----ALFDLTGKTALVTGSARGLGFAYAEGLAAAGARVILNDIRATLLAESVDTLTRKGYDAHGVAFDVTDELAIEAAFSKLDAEGIHVDILINNAGIQYRKPMVELELENWQKVIDTNLTSAFLVSRSAAKRMIARNSGGKIINIGSLTSQAARP--TVAPYTAAKGGIKMLTCSMAAEWAQFNIQTNAIGPGYILTDMNTALIEDKQFDSWVKSSTPSQRWGRPEELIGTAIFLSSKASDYINGQIIYVDGGWL--
General information:
TITO was launched using:
RESULT:
Template:
4G81.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -166605 for 2121 contacts (-78.6/contact) +
2D Compatibility (PS) -27093 + (NN) -13995 + (LL) 444
1D Compatibility (HY) -14800 + (ID) 4400
Total energy: -226449.0 ( -106.77 by residue)
QMean score : 0.574
(partial model without unconserved sides chains):
PDB file :
Tito_4G81.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4G81-query.scw
PDB file :
Tito_Scwrl_4G81.pdb
: