Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARPLAMIAALGENRAIGIDNRLPWRLPADLKHFKAMTLGKPVIMGRKTWDSLGRPLPGRLNLVVSRQAGLALEGAEVFASLDAALARAEAWAQAEDADELMLIGGAQLYAEALPRAARLYLTRVGLAPEGDAFFPEIDGAAWRLASSIEHAAADDAP-AYAFEVWERR
2ZZA Chain:B ((3-160))
----VSMIAALANNRVIGLDNKMPWHLPAELQLFKRATLGKPIVMGRNTFESIGRPLPGRLNIVLSRQTDYQPEGVTVVATLEDAV------VAAGDVEELMIIGGATIYNQCLAAADRLYLTHIELTTEGDTWFPDYEQYNWQEIEHESYAADDKNPHNYRFSLLERV
General information:
TITO was launched using:
RESULT:
Template:
2ZZA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -105641 for 1165 contacts (-90.7/contact) +
2D Compatibility (PS) -16538 + (NN) -515 + (LL) 1104
1D Compatibility (HY) -17200 + (ID) 4000
Total energy: -142790.0 ( -122.57 by residue)
QMean score : 0.448
(partial model without unconserved sides chains):
PDB file :
Tito_2ZZA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2ZZA-query.scw
PDB file :
Tito_Scwrl_2ZZA.pdb
: