Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGRSSRKDEILQAALACFSEHGVDATTIEMIRDRSGASIGSLYHHFGNKERIHGELYLAGIGQYAALLEAGFARARSAEETVRLLVTSYIDWVVANPDWARFILHSRGRVEAGELGERLRADNQAHFARIHAALAGYRAEGLFREMPDDCFASVVIGPAHDLARQWLAGRTRVALADCRELLAQVAWDSVRAA
3HE0 Chain:A ((11-194))
----DKRDQILAAAEQLIAESGFQGLSMQKLANEAGVAAGTIYRYFSDKEHLLEEVRLNVAKRIASAVQAGVNDDMPLKERYRTMWLNIWNLAGSNLNAISNRV----LPC--TTRNKTWELERKMFAQVDRLFNQGKEEGVFKPLDNEVLSGLSFEASVALARKHALGFYQ-LDDDALEAAIEASWDAIIKH
General information:
TITO was launched using:
RESULT:
Template:
3HE0.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101272 for 1269 contacts (-79.8/contact) +
2D Compatibility (PS) -19516 + (NN) -7777 + (LL) 216
1D Compatibility (HY) -4800 + (ID) 1700
Total energy: -134849.0 ( -106.26 by residue)
QMean score : 0.453
(partial model without unconserved sides chains):
PDB file :
Tito_3HE0.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HE0-query.scw
PDB file :
Tito_Scwrl_3HE0.pdb
: