Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLLIMGLPGAGKGTQAAKIVEEFGVAHISTGDMFRAAMANQTEMGRLAKSYIDKGELVPDEVTNGIVKERLAEDDIAEKGFLLDGYPRTIEQAHALDATLEELGLRLDGVINIKVDPSCLIERLSGRIINRKTGETFHKVFNPPV-----DYKEEDYYQREDDKPETVKRRLDVNIAQGEPILEHYRKLGLVTD-----IEGNQEITEVFADVEKALLELK
3HPQ Chain:B ((1-213))
MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQED-CRNGFLLDGFPRTIPQADA----MKEAGINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKRLVEYHQMTAPLIGYYSKEAEAGNTKYAKVDGTKPVAEVRADLEKILG---
General information:
TITO was launched using:
RESULT:
Template:
3HPQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -48895 for 1571 contacts (-31.1/contact) +
2D Compatibility (PS) -22196 + (NN) -11209 + (LL) 956
1D Compatibility (HY) -16000 + (ID) 4350
Total energy: -101694.0 ( -64.73 by residue)
QMean score : 0.466
(partial model without unconserved sides chains):
PDB file :
Tito_3HPQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HPQ-query.scw
PDB file :
Tito_Scwrl_3HPQ.pdb
: