Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARPLAMIAALGENRAIGIDNRLPWRLPADLKHFKAMTLGKPVIMGRKTWDSLGRPLPGRLNLVVSRQAGLALEGAEVFASLDAALARAEAWAQAEDADELMLIGGAQLYAEALPRAARLYLTRVGLAPEGDAFFPEIDGAAWRLASSIEHAAADDAP-AYAFEVWERR
3IA5 Chain:B ((3-160))
----VSMIAALANNRVIGLDNKMPWHLPAELQLFKRATLGKPIVMGRNTFESIGRPLPGRLNIVLSRQ-DYQPEGVTVVATLEDAV------VAAGDVEELMIIGGATIYNQCLAAADRLYLTHIELTTEGDTWFPDYEQYNWQEIEHESYAADDKNPHNYRFSLLERV
General information:
TITO was launched using:
RESULT:
Template:
3IA5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -114510 for 1156 contacts (-99.1/contact) +
2D Compatibility (PS) -16536 + (NN) -2196 + (LL) 1248
1D Compatibility (HY) -17200 + (ID) 4000
Total energy: -153194.0 ( -132.52 by residue)
QMean score : 0.527
(partial model without unconserved sides chains):
PDB file :
Tito_3IA5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IA5-query.scw
PDB file :
Tito_Scwrl_3IA5.pdb
: