Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVRPLNCIVAVSQNMGIGKNGDLPW-PPLRNEFQYFQRMTTVS------SVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPKGAHFLAKSLDDALELIEDPELTNKVDVVWIVGGSSVYKEAMNKPGHVRLFVTRIMQEFESDAFFPEIDFEKYKLLPEYPGVPLDVQEEKGIKYKFEVYEKNN
3NRR Chain:A ((11-191))
GCGDLTIFVAVALNKVIGHKNQIPWPH-ITHDFRFLRNGTTYIPPEVLSKNPDIQNVVIFGRKTYESIPKASLPLKNRINVILSRTVKE-VPG-CLVYEDLSTAIRDLRA---NVPHNKIFILGGSFLYKEVLDNGLCDKIYLTRLNKEYPGDTYFPDIPDT-FEITAI-----SPTFSTDFVSYDFVIYERK-
General information:
TITO was launched using:
RESULT:
Template:
3NRR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101612 for 1289 contacts (-78.8/contact) +
2D Compatibility (PS) -19196 + (NN) -8527 + (LL) -180
1D Compatibility (HY) -15600 + (ID) 2750
Total energy: -147865.0 ( -114.71 by residue)
QMean score : 0.543
(partial model without unconserved sides chains):
PDB file :
Tito_3NRR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NRR-query.scw
PDB file :
Tito_Scwrl_3NRR.pdb
: