Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLDQLEVSHDADSLCVVIEISKHSN-IKYELDKESGALMVDRVLYGAQNYPANYGFVPNTLGSDGDPVDALVLSDVAFQAGSVVKARLVGVLNMEDESGMDEKLLALPIDKIDPTHSYVKDIDDLSKHTLDKIKHFFETYKDLEPNKWVKVKGFENKESAIKVLEKAIKAYQG
2AUU Chain:A ((13-161))
------------EDIYVVIEIPANADPIKYEIDKESGALFVDRFMSTAMFYPCNYGYINHTLSLDGDPVDVLVPTPYPLQPGSVTRCRPVGVLKMTDEAGEDAKLVAVPHSKLSKEYDHIKDVNDLPELLKAQIAHFFEHYKDLEKGKWVKVEGWENAEAAKAEIVASFERAKN
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) -40226 for 1124 contacts (-35.8/contact) +
2D Compatibility (PS) -15845 + (NN) -3845 + (LL) 904
1D Compatibility (HY) -14800 + (ID) 3900
Total energy: -77712.0 ( -69.14 by residue)
QMean score : 0.431
(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
: