Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQVHVVDHPLAAARLTTLRDERTDNAGFRAALRELTLLLIYEATRDAPCEPVPIRTPLAETV-GSRLTKPPLLVPVLRAGLGMVDEAHAALPEAHVGFVGVARDEQTHQPVPYLDSLPDDLTDVPVMVLDPMVATGGSMTHTLGLLISRGAAD--ITVLCVVAAPEGIAALQKAAPNVRLFTAAIDEGLNEVAYIVPGLGDAGDRQFGPR
1JLS Chain:B ((46-241))
------------AMMTIIRDKETPKEEFVFYADRLIRLLIEEALNELPFQKKEVTTPLDVSYHGVSFYSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETTAEPKLIYEKLPADIRERWVMLLDPMCATAGSVCKAIEVLLRLGVKEERIIFVNILAAPQGIERVFKEYPKVRMVTAAVDICLNSRYYIVPGIGDFGDRYFG--
General information:
TITO was launched using:
RESULT:
Template:
1JLS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140710 for 1471 contacts (-95.7/contact) +
2D Compatibility (PS) -20541 + (NN) -5602 + (LL) 1200
1D Compatibility (HY) -16400 + (ID) 3600
Total energy: -185653.0 ( -126.21 by residue)
QMean score : 0.494
(partial model without unconserved sides chains):
PDB file :
Tito_1JLS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1JLS-query.scw
PDB file :
Tito_Scwrl_1JLS.pdb
: