Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGRIQRNKIKVEIKKLSHGKDLPLPCYATMQSAGMDLYAALGN--SIVLNPLERLLIPTGIVIVIPNGFEGQIRPRSGLAAKYGITVLNSPGTIDSDYRGEVKVCLINLSNQPYEIKRGDRIAQILIAPVFRVIWDDAERLCTEETERSAGGFGSSGR
3MDX Chain:A ((34-172))
------------IIRLEHAKGLDLPAYETAGSAGMDLRAAVAEDRQIVLLPGRRTLVPTGLILEIPQGYEVQIRPRSGLAFKNGITCLNTPGTIDSDYRGEVKVLLINLGDDDFRIERGMRIAQAVFAPVIQPKIE--ERAK-----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) -76899 for 865 contacts (-88.9/contact) +
2D Compatibility (PS) -14010 + (NN) -2192 + (LL) 1292
1D Compatibility (HY) -11200 + (ID) 4000
Total energy: -107009.0 ( -123.71 by residue)
QMean score : 0.392
(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
: