Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARPLAMIAALGENRAIGIDNRLPWRLPADLKHFKAMTLGKPVIMGRKTWDSLGRPLPGRLNLVVSRQAGLALEGAEVFASLDAALARAEAWAQAEDADELMLIGGAQLYAEALPRAARLYLTRVGLAPEGDAFFPEIDGAAWRLASSIEHAAADDAP-AYAFEVWERR
3IA4 Chain:B ((3-160))
----VSMIAALANNRVIGLDNKMPWHLPAELQLFKRATLGKPIVMGRNTFESIGRPLPGRLNIVLSRQTDYQPEGVTVVATLEDAV------VAAGDVEELMIIGGATIYNQCLAAADRLYLTHIELTTEGDTWFPDYEQYNWQEIEHESYAADDKNPHNYRFSLLERV
General information:
TITO was launched using:
RESULT:
Template:
3IA4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -107283 for 1162 contacts (-92.3/contact) +
2D Compatibility (PS) -16644 + (NN) -1299 + (LL) 1104
1D Compatibility (HY) -17200 + (ID) 4000
Total energy: -145322.0 ( -125.06 by residue)
QMean score : 0.522
(partial model without unconserved sides chains):
PDB file :
Tito_3IA4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IA4-query.scw
PDB file :
Tito_Scwrl_3IA4.pdb
: