Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MILDMFRLDDKVAVITGGGRGLGAAIALAFAQAGADVLIASRTSSELDAVAEQIRAAGRRAHTVAADLAHPEVTAQLAGQAVGAF-GKLDIVVNNVGGTMPNTLLSTSTKDLADAFAFNVGTAHALTVAAVPLMLEHSGGGSVINISSTMGRLAARGFAAYGTAKAALAHYTRLAALDLCP-RVRVNAIAPGSILTSALEVVAANDELRAPMEQ---ATPLRRLGDPVDIAAAAVYLASPAGSFLTGKTLEVDGGLTFPNLDLPIPDL
1IPE Chain:B ((4-253))
-----WNLEGCTALVTGGSRGIGYGIVEELASLGASVYTCSRNQKELNDCLTQWRSKGFKVEASVCDLSSRSERQELMNTVANHFHGKLNILVNNAGIVIYKEAKDYTVEDYSLIMSINFEAAYHLSVLAHPF-LKASERGNVVFISSVSGALAVPYEAVYGATKGAMDQLTRCLAFEWAKDNIRVNGVGPGVIATSLVEMTIQDPEQKENLNKLIDRCALRRMGEPKELAAMVAFLCFPAASYVTGQIIYVDGGL------------
General information:
TITO was launched using:
RESULT:
Template:
1IPE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -145545 for 2084 contacts (-69.8/contact) +
2D Compatibility (PS) -26961 + (NN) -11374 + (LL) 1192
1D Compatibility (HY) -14800 + (ID) 4250
Total energy: -201738.0 ( -96.80 by residue)
QMean score : 0.557
(partial model without unconserved sides chains):
PDB file :
Tito_1IPE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1IPE-query.scw
PDB file :
Tito_Scwrl_1IPE.pdb
: