Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQVHVVDHPLAAARLTTLRDERTDNAGFRAALRELTLLLIYEATRDAPCEPVPIRTPLAETV-GSRLTKPPLLVPVLRAGLGMVDEAHAALPEAHVGFVGVARDEQTHQPVPYLDSLPDDLTDVPVMVLDPMVATGGSMTHTLGLLISRGAAD--ITVLCVVAAPEGIAALQKAAPNVRLFTAAIDEGLNEVAYIVPGLGDAGDRQFGPR
1UPU Chain:B ((27-222))
------------AMMTIIRDKETPKEEFVFYADRLIRLLIEEALNELPFQKKEVTTPLDVSYHGVSFYSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETTAEPKLIYEKLPADIRERWVMLLDPMCATAGSVCKAIEVLLRLGVKEERIIFVNILAAPQGIERVFKEYPKVRMVTAAVDICLNSRYYIVPGIGDFGDRYFG--
General information:
TITO was launched using:
RESULT:
Template:
1UPU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -141207 for 1459 contacts (-96.8/contact) +
2D Compatibility (PS) -20726 + (NN) -8270 + (LL) 1200
1D Compatibility (HY) -16400 + (ID) 3600
Total energy: -189003.0 ( -129.54 by residue)
QMean score : 0.508
(partial model without unconserved sides chains):
PDB file :
Tito_1UPU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1UPU-query.scw
PDB file :
Tito_Scwrl_1UPU.pdb
: