Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTIRSYQGKTPLLGERVFVDPSAVLVGDIEIGADSSVWPLVVIRGDMHRIRIGQRSSIQDGSVLHITHAGPFNPDGFPLSIGDEVTVGHKVLLHGCSIGNRVLVGMGSIVMDGAVIEDEVILGAGSLVPPGKVLESGFLYVGSPAKKARPLSDKERGFFAYTAGNYVKLKDLHIAEDYHA
3VNP Chain:B ((3-148))
--IYPYKGKTPQIAASAFIADYVTITGDVVIGEETSIWFNTVIRGDVAPTVIGNRVNIQDNSILH---QSPNNP----LIIEDGVTVGHQVILHSAIVRKNALIGMGSIILDRAEIGEGAFIGAGSLVPPGKKIPPNTLALGRPAKVVRELTEDDIREMERIRREYVEKGQYYKALQQ--
General information:
TITO was launched using:
RESULT:
Template:
3VNP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140674 for 1211 contacts (-116.2/contact) +
2D Compatibility (PS) -16397 + (NN) -7720 + (LL) 232
1D Compatibility (HY) -10000 + (ID) 3350
Total energy: -177909.0 ( -146.91 by residue)
QMean score : 0.545
(partial model without unconserved sides chains):
PDB file :
Tito_3VNP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VNP-query.scw
PDB file :
Tito_Scwrl_3VNP.pdb
: