Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGRSSRKDEILQAALACFSEHGVDATTIEMIRDRSGASIGSLYHHFGNKERIHGELYLAGIGQYAALLEAGFARARSAEETVRLLVTSYIDWVVANPDWARFILHSRGRVEAGELGERLRADNQAHFARIHAALAGYRAEGLFR-EMPDDCFASVVIGPAHDLARQWLAGRTRVALADCRELLAQVAWDSVRAA
3ANP Chain:C ((6-194))
-QKKRRRERIFRAAMELFRNRGFQETTATEIAKAAHVSRGTFFNYYPYKEAVLLDYGSQLLAGLREEVRRLLAQGREPVEVLRHLFRVLAEGTAREKDLLLPMFYELLNPDPVRARAAF--EALPLGDLIAEILKPLREQGVLRQDFSLERMGRTLADLYFLSALRWAAYTPGRDLAEELEKNLRLLLEGMLVR
General information:
TITO was launched using:
RESULT:
Template:
3ANP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -88017 for 1363 contacts (-64.6/contact) +
2D Compatibility (PS) -20399 + (NN) -8917 + (LL) 452
1D Compatibility (HY) -5200 + (ID) 1500
Total energy: -123581.0 ( -90.67 by residue)
QMean score : 0.503
(partial model without unconserved sides chains):
PDB file :
Tito_3ANP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3ANP-query.scw
PDB file :
Tito_Scwrl_3ANP.pdb
: