Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDSTVKVVYFSSKSNNTHRFVQKLA-WSNQRIPSDGSNILVTED--------------YILIVPTYAGGGDDTKGA----VPKQVVQFLNVRQNREHCQGVISSGNTNFGDTYAIAGPIIARKLNVPLLHQFELLGTQEDVTRVKELLCQFTRKDK
4N82 Chain:B ((22-174))
--TKVSLVYISL-SGNTESFVRRLTDYLLEQHPSLEVEKIHIKDLVKERQPFFEMDNPFIAFLPTYLEGGNGVDNGDVEILTTDVGDFIAYGQNASKCLGVIGSGNRNFNNQYCLTAKQYSERFGFPVLADFEMRGMLGDIKKVAGIIEELYHIEK
General information:
TITO was launched using:
RESULT:
Template:
4N82.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -75769 for 1008 contacts (-75.2/contact) +
2D Compatibility (PS) -14781 + (NN) -9304 + (LL) 196
1D Compatibility (HY) -12000 + (ID) 2050
Total energy: -113708.0 ( -112.81 by residue)
QMean score : 0.597
(partial model without unconserved sides chains):
PDB file :
Tito_4N82.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4N82-query.scw
PDB file :
Tito_Scwrl_4N82.pdb
: