Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGKRIGLFGGTFDPVHIGHMRSAVEMAEQFALDELRLLPNARPPHRETPQVSAAQRLAMVERAVAGVERLTVDPRELQRDKPSYTIDTLESVRAELAADDQLFMLIGWDAFCGLPTWHRWEALLDHCHIVVLQRPDADSEPPESLRDLLAARSVADPQALKGPGGQITFVWQTPLAVSATQIRALLGAGRSVRFLVPDAVLNYIEAHHLYRAPH
1YUN Chain:B ((22-231))
-GKRIGLFGGTFDPVHIGHMRSAVEMAEQFALDELRLLPNARPPHRETPQVSAAQRLAMVERAVAGVERLTVDPRELQRDKPSYTIDTLESVRAELAADDQLFMLIGWDAFCGLPTWHRWEALLDHCHIVVLQRPDADSEPPESLRDLLAARSVADPQALKGPGGQITFVWQTPLAVSATQIRALLGAGRSVRFLVPDAVLNYIEAHHLYR---
General information:
TITO was launched using:
RESULT:
Template:
1YUN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -158635 for 1661 contacts (-95.5/contact) +
2D Compatibility (PS) -22870 + (NN) -15052 + (LL) 256
1D Compatibility (HY) -28000 + (ID) 10500
Total energy: -234801.0 ( -141.36 by residue)
QMean score : 0.559
(partial model without unconserved sides chains):
PDB file :
Tito_1YUN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1YUN-query.scw
PDB file :
Tito_Scwrl_1YUN.pdb
: