Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGGTFDPIHYGHLVAASEVADLFDLDEVVFVPSGQPWQKGRQVSAAEHRYLMTVIATASNPRFSVSRVDIDRGGPTYTKDTLADLHALH-PDSELYFTTGADALASIMSWQGWEELFELARFVGVSRPGYELRNEH-ITSLL----------GQLAKDALTLVEIPALAISSTDCRQRAEQSRPLWYLMPDGVVQYVSKCRLYCGACDAGARSTTSLAAGNGL
1YUM Chain:A ((28-233))
FGGTFDPVHIGHMRSAVEMAEQFALDELRLLPNARPPHRETPQVSAAQRLAMVERAVAGVERLTVDPRELQRDKPSYTIDTLESVRAELAADDQLFMLIGWDAFCGLPTWHRWEALLDHCHIVVLQRPDADSEPPESLRDLLAARSVADPQALKGPGGQITFVWQTPLAVSATQIRALLGAGRSVRFLVPDAVLNYIEAHHLYRAP-----------------
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) -125814 for 1445 contacts (-87.1/contact) +
2D Compatibility (PS) -20907 + (NN) -8479 + (LL) 460
1D Compatibility (HY) -12400 + (ID) 3100
Total energy: -170240.0 ( -117.81 by residue)
QMean score : 0.395
(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
: