Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDLSKITIASDAVNVIIEISANAEPVKYEFDKELGLLRVDRFLSTAMVYPCNYGFVPNTCAGDGDPVDVLVLTQFPLAPGVLISVRPVGALLTKDEKGKDEKVLAVPVSSVDSYYDHVKNCSDLPKNLLDKITHFFLHYKDLEKEKTVTVGEWVDAEKAK-KIVESAIKSRN
2AUU Chain:A ((15-174))
------------IYVVIEIPANADPIKYEIDKESGALFVDRFMSTAMFYPCNYGYINHTLSLDGDPVDVLVPTPYPLQPGSVTRCRPVGVLKMTDEAGEDAKLVAVPHSKLSKEYDHIKDVNDLPELLKAQIAHFFEHYKDLEKGKWVKVEGWENAEAAKAEIVASFERAKN
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) -81397 for 1243 contacts (-65.5/contact) +
2D Compatibility (PS) -17294 + (NN) -4016 + (LL) 988
1D Compatibility (HY) -14800 + (ID) 4500
Total energy: -121019.0 ( -97.36 by residue)
QMean score : 0.524
(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
: