Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRTPIIAGNWKMNKTVQEAKDFVNAL-PTLPD--SKEVESVICAPAIQLDALTTAVKE--GKAQGLEIGAQNTYFEDNGAFTGETSPVALADLGVKYVVIGHSERRELFHETDEEINKKAHAIFKHGMTPIICVGETDEERESGKANDVVGEQVKKAVAGLSEDQLKSVVIAYEPIWAIGTGKSSTSEDANEMCAFVRQTIADLSSKEVSEATRIQYGGSVKPNNIKEYMAQTDIDGALVGGASLKVEDFVQLLEGAK
3TA6 Chain:A ((3-255))
-RKPLIAGNWKMNLNHYEAIALVQKIAFSLPDKYYDRVDVAVIPPFTDLRSVQTLVDGDKLR---LTYGAQDLSPHDSGAYTGDVSGAFLAKLGCSYVVVGHSERRTYHNEDDALVAAKAATALKHGLTPIVCIGEHLDVREAGNHVAHNIEQLRGSLAGLLAEQIGSVVIAYEPVWAIGTGRVASAADAQEVCAAIRKELASLASPRIADTVRVLYGGSVNAKNVGDIVAQDDVDGGLVGGASLDGEHFATLAAIA-
General information:
TITO was launched using:
RESULT:
Template:
3TA6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -103727 for 2147 contacts (-48.3/contact) +
2D Compatibility (PS) -27539 + (NN) -15423 + (LL) 364
1D Compatibility (HY) -18800 + (ID) 5600
Total energy: -170725.0 ( -79.52 by residue)
QMean score : 0.665
(partial model without unconserved sides chains):
PDB file :
Tito_3TA6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TA6-query.scw
PDB file :
Tito_Scwrl_3TA6.pdb
: