Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGWVAKIFRVGRVVEPAAPLPAAIAEPPAGVRGSLQIRHVDAGSCNGCEVEISGAFGPVYDAERFGARLVASPQHADALLVTGVVTHNMAGPLRKTLEATPRPRVVIACGDCALNRGVFA------DAYGVVGAVGEVVPVDVEIAGCPPTPAAIMAALRSVTGK
1WUH Chain:S ((89-161))
-----------------------------------------------------------------------------------VANHTMLDICSRIL---PKAQAVIAYGTCATFGGVQAAKPNPTGAKGVNDALKHLGVKAINIAGCPPNPYNLVGTI------
General information:
TITO was launched using:
RESULT:
Template:
1WUH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -42829 for 427 contacts (-100.3/contact) +
2D Compatibility (PS) -6816 + (NN) -68 + (LL) 5548
1D Compatibility (HY) -4000 + (ID) 1250
Total energy: -49415.0 ( -115.73 by residue)
QMean score : 0.159
(partial model without unconserved sides chains):
PDB file :
Tito_1WUH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WUH-query.scw
PDB file :
Tito_Scwrl_1WUH.pdb
: