Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNPREHGKRSIDNETRSALKRQRPAVIWLTGLSGAGKSTIASALELALFEQKKHTFLLDGDDLRLGLCRNLGYSDEDRTENIRRIAEVAKILLEAGLIVIVATISPFSRDRRLSREL---IGIEHFIEVFVDTPLSECERRDPKGLYRKARSGKIENFTGIDSIYETPAQPNITIDTLSEDPDLAVKRIISYLETNQPA
4BZQ Chain:A ((3-173))
----------------------RGKTVWFTGLSGSGKSSVAMLVERKLLEKGISAYVLDGDNLRHGLNADLGFSMADRAENLRRLSHVATLLADCGHLVLVPAISPLAEHRALARKVHADAGID-FFEVFCDTPLQDCERRDPKGLYAKARAGEITHFTGIDSPYQRPKNPDLRL-TPDRSIDEQAQEVIDLLES----
General information:
TITO was launched using:
RESULT:
Template:
4BZQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -110401 for 1379 contacts (-80.1/contact) +
2D Compatibility (PS) -19192 + (NN) -12621 + (LL) 1092
1D Compatibility (HY) -14800 + (ID) 4100
Total energy: -160022.0 ( -116.04 by residue)
QMean score : 0.719
(partial model without unconserved sides chains):
PDB file :
Tito_4BZQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BZQ-query.scw
PDB file :
Tito_Scwrl_4BZQ.pdb
: