Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRSIKKGPFIDDHLMKKTLKAKEGKDNRPIKTWSRRSTILPEMIGFTYNVHNGRVFVPVYITENHVGYKLGEFAPTRTFKGHKGSVQKKIGK
3A1P Chain:D ((9-83))
--------VFVDDHLLEKVLELNAKGEKRLIKTWSRRSTIVPEMVGHTIAVYNGKQHVPVYITENMVGHKLGEFAPTRTYRGHGKEAKATKKK
General information:
TITO was launched using:
RESULT:
Template:
3A1P.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -27821 for 495 contacts (-56.2/contact) +
2D Compatibility (PS) -8517 + (NN) -7075 + (LL) 412
1D Compatibility (HY) -6800 + (ID) 2400
Total energy: -52201.0 ( -105.46 by residue)
QMean score : 0.573
(partial model without unconserved sides chains):
PDB file :
Tito_3A1P.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3A1P-query.scw
PDB file :
Tito_Scwrl_3A1P.pdb
: