Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRNKKIPLRKCIITGERLPKGELLRIAYSKDGALTIDPTGKAPGRGFYIVKSVEACEKAKKKNAIFHQLKMPEQESFYDELIAYVKSLEEPTNG
1G2R Chain:A ((7-94))
---RKIPLRKSVVSNEVIDKRDLLRIVKNKEGQVFIDPTGKANGRGAYIKLDNAEALEAKKKKVFNRSFSMEVEESFYDELIAYVDHKVKR---
General information:
TITO was launched using:
RESULT:
Template:
1G2R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -50689 for 598 contacts (-84.8/contact) +
2D Compatibility (PS) -9498 + (NN) -8339 + (LL) 28
1D Compatibility (HY) -5200 + (ID) 2100
Total energy: -75798.0 ( -126.75 by residue)
QMean score : 0.798
(partial model without unconserved sides chains):
PDB file :
Tito_1G2R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1G2R-query.scw
PDB file :
Tito_Scwrl_1G2R.pdb
: