Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQFDVTIEIP-KGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAG--DPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH
2AUU Chain:A ((17-173))
----VVIEIPANADPIKYEIDKESGALFVDRFMSTAMFYPCNYGYINHTLSLDGDPVDVLVPTPYPLQPGSVTRCRPVGVLKMTDEAGEDAKLVAVPHSKLSKEYDHIKDVNDLPELLKAQIAHFFEHYKDLEKGKWVKVEGWENAEAAKAEIVASFERAK----
General information:
TITO was launched using:
RESULT:
Template:
2AUU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -43791 for 1176 contacts (-37.2/contact) +
2D Compatibility (PS) -16802 + (NN) -7247 + (LL) 452
1D Compatibility (HY) -12000 + (ID) 3600
Total energy: -82988.0 ( -70.57 by residue)
QMean score : 0.427
(partial model without unconserved sides chains):
PDB file :
Tito_2AUU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AUU-query.scw
PDB file :
Tito_Scwrl_2AUU.pdb
: