Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MILDMFRLDDKVAVITGGGRGLGAAIALAFAQAGADVLIASRTSSELDAVAEQIRAAGRRAHTVAADLAHPEVTAQLAGQAVGAF-GKLDIVVNNVGGTMPNTLLSTSTKDLADAFAFNVGTAHALTVAAVPLMLEHSGGGSVINISSTMGRLAARGFAAYGTAKAALAHYTRLAALDLCP-RVRVNAIAPGSILTSALEVVAANDELRAPMEQ---ATPLRRLGDPVDIAAAAVYLASPAGSFLTGKTLEVDGGLTFPNLDLPIPDL
2AE2 Chain:B ((5-254))
-----WNLEGCTALVTGGSRGIGYGIVEELASLGASVYTCSRNQKELNDCLTQWRSKGFKVEASVCDLSSRSERQELMNTVANHFHGKLNILVNNAGIVIYKEAKDYTVEDYSLIMSINFEAAYHLSVLAHPF-LKASERGNVVFISSVSGALAVPYEAVYGATKGAMDQLTRCLAFEWAKDNIRVNGVGPGVIATSLVEMTIQDPEQKENLNKLIDRCALRRMGEPKELAAMVAFLCFPAASYVTGQIIYVDGGL------------
General information:
TITO was launched using:
RESULT:
Template:
2AE2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -143417 for 2081 contacts (-68.9/contact) +
2D Compatibility (PS) -26849 + (NN) -10620 + (LL) 1192
1D Compatibility (HY) -14800 + (ID) 4250
Total energy: -198744.0 ( -95.50 by residue)
QMean score : 0.572
(partial model without unconserved sides chains):
PDB file :
Tito_2AE2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AE2-query.scw
PDB file :
Tito_Scwrl_2AE2.pdb
: