Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGKRIGLFGGTFDPVHIGHMRSAVEMAEQFALDELRLLPNARPPHRETPQVSAAQRLAMVERAVAGVERLTVDPRELQRDKPSYTIDTLESVRAELAADDQLFMLIGWDAFCGLPTWHRWEALLDHCHIVVLQRPDADSEPPESLRDLLAARSVADPQALKGPGGQITFVWQTPLAVSATQIRALLGAGRSVRFLVPDAVLNYIEAHHLYRAPH
1YUM Chain:C ((22-233))
-GKRIGLFGGTFDPVHIGHMRSAVEMAEQFALDELRLLPNARPPHRETPQVSAAQRLAMVERAVAGVERLTVDPRELQRDKPSYTIDTLESVRAELAADDQLFMLIGWDAFCGLPTWHRWEALLDHCHIVVLQRPDADSEPPESLRDLLAARSVADPQALKGPGGQITFVWQTPLAVSATQIRALLGAGRSVRFLVPDAVLNYIEAHHLYRAP-
General information:
TITO was launched using:
RESULT:
Template:
1YUM.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -164969 for 1674 contacts (-98.5/contact) +
2D Compatibility (PS) -23008 + (NN) -14844 + (LL) 252
1D Compatibility (HY) -28000 + (ID) 10600
Total energy: -241169.0 ( -144.07 by residue)
QMean score : 0.577
(partial model without unconserved sides chains):
PDB file :
Tito_1YUM.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1YUM-query.scw
PDB file :
Tito_Scwrl_1YUM.pdb
: