Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKEKHIKWDKIFYGDDWVNNVVETIRTKDILQSVYLKRYLLRAMMAGFIIGIITVFVLSVKATHEPDLPPGIVNMASAITFSFALVLILFTNSELLTSNFMYFTVGLYYKVIKPTRVLKIFLLCFAGNILGAAILFSFMRFSNVMTPDMLNQLSAVIEHKTLSTGFVSILMKAIFANFFINISLVIAMQIDDVLAKMFVMMFGVTIFAFM--GYEHVVYNSCLFMGGLIY-QVDTLHFIPAISNIAAAFIGNYIGGGLIIGLFYAYLNDHHQFYKNN
3TE2 Chain:A ((10-250))
--------------DKLTNAAINSI---NLLNTSKVK-YLVSSAFAGLYVGIGILLIFTIGGLLTDAGSP-MTKIVMGLSFAIALSLVIMTGTELFTGNNMVMSAGMLNKGVSIKDTSKIWAYSWVGNLIGALVLGIIFVGTGLVDKGPVAEFFANTAASKASMPFTALFFRGILCNILVCVSVLCSFRTNSDTAKI-IMIF-LCLFAFITSGFEHSVANMTIYSVSLFSPTISTVTIGGAIYNLVAVTLGNIVGGALFMGL---------------
General information:
TITO was launched using:
RESULT:
Template:
3TE2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -288040 for 2147 contacts (-134.2/contact) +
2D Compatibility (PS) -24885 + (NN) -10662 + (LL) 2072
1D Compatibility (HY) -23600 + (ID) 3100
Total energy: -348215.0 ( -162.19 by residue)
QMean score : 0.374
(partial model without unconserved sides chains):
PDB file :
Tito_3TE2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TE2-query.scw
PDB file :
Tito_Scwrl_3TE2.pdb
: