Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPIPAPSPDARAVVTGASQNIGAALATELAARGHHLIVTARREDVLTELAARLADKYRVTVDVRPADLADPQERSKLADELAAR--PISILCANAGTATFGPIASLDLAGEKTQVQLNAVAVHDLTLAVLP--GMIERKAGGILISGSAAGNSPIPYNATYAATKAFVNTFSESLRGELRGSGVHVTVLAPGPVRTELPDASEASLVEKLVPDFLWISTEH-----TARVSLNALERNKMRVVPGLTSKAMSVASQYAPRAIVAPIVGAFYKRLGGS
1XR3 Chain:B ((9-221))
-----------ALVTGATSGIGLEIARRLGKEGLRVFVCARGEEGLRTTLKELREA-GVEADGRTCDVRSVPEIEALVAAVVERYGPVDVLVNNAGRPGGGATAELADELWLDVVETNLTGVFRVTKQVLKAGGMLERGTGRIVNIASTGGKQGVVHAAPYSASKHGVVGFTKALGLELARTGITVNAVCPGFVETPM-----AASVR-------EVSTEEAFDRITARV-----------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
1XR3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -120062 for 1580 contacts (-76.0/contact) +
2D Compatibility (PS) -21952 + (NN) -11818 + (LL) 4028
1D Compatibility (HY) -10400 + (ID) 3450
Total energy: -163654.0 ( -103.58 by residue)
QMean score : 0.474
(partial model without unconserved sides chains):
PDB file :
Tito_1XR3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1XR3-query.scw
PDB file :
Tito_Scwrl_1XR3.pdb
: