Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQQSLAVKTFEDLFAELGDRARTRPADSTTVAALDGGVHALGKKLLEEAGEVWLAAEH--ESNDALAEEISQLLYWTQVLMISRGLSLDDVYRKL
3CRA Chain:A ((164-221))
---------------------------------------PVVDKVYEEIDEVMYEARQAVVDQAKLEEEMGDLLFATVNLARHLGTKAEIALQ--
General information:
TITO was launched using:
RESULT:
Template:
3CRA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -8372 for 288 contacts (-29.1/contact) +
2D Compatibility (PS) -5850 + (NN) -5284 + (LL) 2904
1D Compatibility (HY) -2400 + (ID) 700
Total energy: -19702.0 ( -68.41 by residue)
QMean score : 0.449
(partial model without unconserved sides chains):
PDB file :
Tito_3CRA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CRA-query.scw
PDB file :
Tito_Scwrl_3CRA.pdb
: