Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIVIKDAHFLTSSNNLSQCPASLTSEMVILGRSNVGKSTFINTLLGKNLAKSSATPGKTRLANFFSTTWEDKENALTTTFNVIDLPGFGYAKVSKSLKKEWEGFLWELLSVRVSIKLFIHLIDARHLDLEIDKNAKENIQALLRPDQAYLSLFTKFDKLNKNEQHRLFLNAPKPFLINTIHFNALSSKYPTLEIVRQTLLKYLLTNPL
3A1S Chain:A ((3-163))
---------------------LHMVKVALAGCPNVGKTSLFNALTGTK-QYVANWPGVTVEKKEGVFT------YKGYTINLIDLPGTYSLGYSSI-DE---KIARDYLL-KGDADLVILVADSVNPEQ--SLYLL---LEILEMEKKVILAMTAIDEAKKTGMKIDRYELQKHL--GIPVVFTSSVTGEGL----EELKEKIVEYAQ
General information:
TITO was launched using:
RESULT:
Template:
3A1S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -94377 for 1273 contacts (-74.1/contact) +
2D Compatibility (PS) -17263 + (NN) -5682 + (LL) 4152
1D Compatibility (HY) -2000 + (ID) 1600
Total energy: -116770.0 ( -91.73 by residue)
QMean score : 0.398
(partial model without unconserved sides chains):
PDB file :
Tito_3A1S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3A1S-query.scw
PDB file :
Tito_Scwrl_3A1S.pdb
: