Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLLIMGLPGAGKGTQAAKIVEEFGVAHISTGDMFRAAMANQTEMGRLAKSYIDKGELVPDEVTNGIVKERLAEDDIAEKGFLLDGYPRTIEQAHALDATLEELGLRLDGVINIKVDPSCLIERLSGRIINRKTGETFHKVFNPPVDYKEEDYYQREDDKPETVKRRLDVNIAQGEPILEHYRKLGLVTDIEGNQEITEVFADVEKALLELK
4JLA Chain:A ((1-198))
MILVFLGPPGAGKGTQAKRLAKEKGFVHISTGDILREAVQKGTPLGKKAKEYMERGELVPDDLIIALIEEVFPKHG----NVIFDGFPRTVKQAEALDEMLEKKGLKVDHVLLFEVPDEVVIERLSGRRINPETGEVYHVKYNPPPPGVK--VIQREDDKPEVIKKRLEVYREQTAPLIEYYKKKGILRIIDASKPVEEVYRQVLEVIG---
General information:
TITO was launched using:
RESULT:
Template:
4JLA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -67626 for 1527 contacts (-44.3/contact) +
2D Compatibility (PS) -21160 + (NN) -7040 + (LL) 856
1D Compatibility (HY) -17600 + (ID) 4450
Total energy: -117020.0 ( -76.63 by residue)
QMean score : 0.547
(partial model without unconserved sides chains):
PDB file :
Tito_4JLA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JLA-query.scw
PDB file :
Tito_Scwrl_4JLA.pdb
: