Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLPHCETLLLEPIEGVLRITLNR-PQSRNAMSLAMVGELRAVLAAVRDDRSVRALVLRGADGHFCAGGDIKDMAGARAAGA-EAYRTLNRAFGSLLEEAQAAPQLLVALVEGAVLGGGFGLACVSDVAIAAADAQFGLPETSLGILP-AQIAPFVVRRIGLTQARRLALTAARFDGREALRLGLVHFCEADADALEQRLEETLEQLRRCAPNANAATKALLLASESGELGALLDDAARQFAEAVGGAEGSEGTLAFVQKRKPVWAQ
2GTR Chain:A ((3-260))
----RYRDIVVRKQDGFTHILLSTKSSENNSLNPEVMREVQSALSTAAADD-SKLVLLSAVGSVFCCGLDFIYFIRRLTDDRKRESTKMAEAIRNFVNTFIQFKKPIIVAVNGPAIGLGASILPLCDVVWANEKAWFQTPYTTFGQSPDGCSTVMFPKIMGGASANEMLLSGRKLTAQEACGKGLVSQVFWP-GTFTQEVMVRIKELASCNPVVLEESKALVRCNMKMELEQANERECEVLKKIWGSAQGMDSMLKYLQRKIDE---
General information:
TITO was launched using:
RESULT:
Template:
2GTR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -161477 for 2121 contacts (-76.1/contact) +
2D Compatibility (PS) -28368 + (NN) -16415 + (LL) 752
1D Compatibility (HY) -12800 + (ID) 2400
Total energy: -220708.0 ( -104.06 by residue)
QMean score : 0.457
(partial model without unconserved sides chains):
PDB file :
Tito_2GTR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GTR-query.scw
PDB file :
Tito_Scwrl_2GTR.pdb
: