Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLLIMGLPGAGKGTQAAKIVEEFGVAHISTGDMFRAAMANQTEMGRLAKSYIDKGELVPDEVTNGIVKERLAEDDIAEKGFLLDGYPRTIEQAHALDATLEELGLRLDGVINIKVDPSCLIERLSGRIINRKTGETFHKVFNPPV-----DYKEEDYYQREDDKPETVKRRLDVNIAQGEPILEHYRKLGLVTD-----IEGNQEITEVFADVEKALLELK
3X2S Chain:A ((1-213))
MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDCGKLVTDELVIALVKERIAQED-SRNGFLLDGFPRTIPQADA----MKEAGINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKRLCEYHQMTAPLIGYYSKEAEAGNTKYAKVDGTKPVAEVRADLEKILG---
General information:
TITO was launched using:
RESULT:
Template:
3X2S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -39189 for 1598 contacts (-24.5/contact) +
2D Compatibility (PS) -21951 + (NN) -8336 + (LL) 956
1D Compatibility (HY) -16000 + (ID) 4350
Total energy: -88870.0 ( -55.61 by residue)
QMean score : 0.431
(partial model without unconserved sides chains):
PDB file :
Tito_3X2S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3X2S-query.scw
PDB file :
Tito_Scwrl_3X2S.pdb
: