Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MREAIIKRAAKELKEGMYVNLGIGLPTLVANEVSGMNIVFQSENGLLGIGAYPLEGGVDADLINAGKETITVVPGASFFNSADSFAMIRGGHIDLAILGGMEVSQNGDLANWMIPKKLIKGMGGAMDLVHGAKKVIVIMEHCNKYGESKVKKECSLPLTGKGVVHQLITDLAVFEFSNNAMELVELQEGVSLDQVKEKTEAEFEVHL
3RRL Chain:B ((1-207))
MREAIIKRAAKELKEGMYVNLGIGLPTLVANEVSGMNIVFQSENGLLGIGAYPLEGSVDADLINAGKETITVVPGASFFNSADSFAMIRGGHIDLAILGGMEVSQNGDLANWMIPKKLIKGMGGAMDLVHGAKKVIVIMEHCNKYGESKVKKECSLPLTGKGVVHQLITDLAVFEFSNNAMKLVELQEGVSLDQVKEKTEAEFEVRL
General information:
TITO was launched using:
RESULT:
Template:
3RRL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -127831 for 1655 contacts (-77.2/contact) +
2D Compatibility (PS) -22837 + (NN) -8091 + (LL) 0
1D Compatibility (HY) -31200 + (ID) 10200
Total energy: -200159.0 ( -120.94 by residue)
QMean score : 0.534
(partial model without unconserved sides chains):
PDB file :
Tito_3RRL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RRL-query.scw
PDB file :
Tito_Scwrl_3RRL.pdb
: