Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MREAIIKRAAKELKEGMYVNLGIGLPTLVANEVS-GMNIVFQSENGLLGIGAYPLEGGVDADLINAGKETITVVPGASFFNSADSFAMIRGGHIDLAILGGMEVSQNGDLANWMIPKKLIKGMGGAMDLVHGAK-KVIVIMEHCNKYGESKVKKECSLPLTGKGVVHQLITDLAVFEFSN-NAMELVELQEGVSLDQVKEKTEAEFEVHL
2NRB Chain:A ((262-469))
VRERIIKRAALEFEDGMYANLGIGIPLLASNFISPNMTVHLQSENGILGLGPYPLQNEVDADLINAGKETVTVLPGASYFSSDESFAMIRGGHVNLTMLGAMQVSKYGDLANWMIPGKLVKGMGGAMDLVSSAKTKVVVTMEHSAKGNAHKIMEKCTLPLTGKQCVNRIITEKAVFDVDRKKGLTLIELWEGLTVDDIKKSTGCDFAVSP
General information:
TITO was launched using:
RESULT:
Template:
2NRB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -135251 for 1662 contacts (-81.4/contact) +
2D Compatibility (PS) -22100 + (NN) -4883 + (LL) 0
1D Compatibility (HY) -25200 + (ID) 6100
Total energy: -193534.0 ( -116.45 by residue)
QMean score : 0.537
(partial model without unconserved sides chains):
PDB file :
Tito_2NRB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NRB-query.scw
PDB file :
Tito_Scwrl_2NRB.pdb
: