Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKVRGFELVSQFSNKELLPKRETAHAAGYDLKVA----KKTVIEPGEITLVPTGIKAHMQPGEVLYLYDRSSNPRKKGIVLINSVGVIDGDYYNNQVNEGHIFAQMQNITDQAVILEEGERIVQAVFAPFLLADDDQ---ATGMRTGGFGSTGK
3MDX Chain:A ((45-172))
------------------LPAYETAGSAGMDLRAAVAEDRQIVLLPGRRTLVPTGLILEIPQGYEVQIRPRSGLAFKNGITCLNTPGTIDSDY------RGEVKVLLINLGDDDFRIERGMRIAQAVFAPVIQPKIEERAK---RGAGGF-----
General information:
TITO was launched using:
RESULT:
Template:
3MDX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -50257 for 736 contacts (-68.3/contact) +
2D Compatibility (PS) -12215 + (NN) -136 + (LL) 1360
1D Compatibility (HY) -5600 + (ID) 2350
Total energy: -69198.0 ( -94.02 by residue)
QMean score : 0.397
(partial model without unconserved sides chains):
PDB file :
Tito_3MDX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MDX-query.scw
PDB file :
Tito_Scwrl_3MDX.pdb
: