Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMKHDIEKVLISEEEIQKKVKELGAELTSEYQDTFPLAIGVLKGALPFMADLIKHIDTYL------------EMDFMDVSSYGNSTVSSGEVKIIKDLDTSVEGRDILIIEDIIDSGLTLSYLVELFRYRKAKSIKIVTLLDKPSGRKADIKADFVGFEVPDAFVVGYGLDYAERYRNLPYIGVLKPAVYES
1FSG Chain:A ((42-227))
--KPYIDKILLPGGLVKDRVEKLAYDIHRTYFGEELHIICILKGSRGFFNLLIDYLATIQKYSGRESSVPPFFEHYVRLKSYQNDN-STGQLTVLSDDLSIFRDKHVLIVEDIVDTGFTLTEFGERLKAVGPKSMRIATLVEKRTDRSNSLKGDFVGFSIEDVWIVGCCYDFNEMFRDFDHVAVLSDAA---
General information:
TITO was launched using:
RESULT:
Template:
1FSG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122985 for 1319 contacts (-93.2/contact) +
2D Compatibility (PS) -19066 + (NN) -7786 + (LL) 776
1D Compatibility (HY) -17200 + (ID) 2650
Total energy: -168911.0 ( -128.06 by residue)
QMean score : 0.470
(partial model without unconserved sides chains):
PDB file :
Tito_1FSG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1FSG-query.scw
PDB file :
Tito_Scwrl_1FSG.pdb
: