Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRKPLIAGNWKMNLNHYEAIALVQKIAFSLPDKYYDRVDVAVIPPFTDLRSVQTLV-DGDKLRLTYGAQDLSPHDSGAYTGDVSGAFLAKLGCSYVVVGHSERRTYHNEDDALVAAKAATALKHGLTPIVCIGEHLDVREAGNHVAHNI--EQLRGSLAGLLAEQIGSVVIAYEPVWAIGTGRVASAADAQEVCAAIRKELASLASPRIADTVRVLYGGSVNAKNVGDIVAQDDVDGGLVGGASLDGEHFATLAAIAAGGPLP
3UWW Chain:A ((10-256))
--RTPIIAGNWKMNKTVQEAKDFVNALP-TLPDS--KEVESVICAPAIQLDALTTAVKEGKAQGLEIGAQNTYFEDNGAFTGETSPVALADLGVKYVVIGHSERRELFHETDEEINKKAHAIFKHGMTPIICVGETDEERESGK--ANDVVGEQVKKAVAGLSEDQLKSVVIAYEPIWAIGTGKSSTSEDANEMCAFVRQTIADLSSKEVSEATRIQYGGSVKPNNIKEYMAQTDIDGALVGGASLKVEDFVQL----------
General information:
TITO was launched using:
RESULT:
Template:
3UWW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146948 for 2045 contacts (-71.9/contact) +
2D Compatibility (PS) -27515 + (NN) -19994 + (LL) 1064
1D Compatibility (HY) -18000 + (ID) 5650
Total energy: -217043.0 ( -106.13 by residue)
QMean score : 0.553
(partial model without unconserved sides chains):
PDB file :
Tito_3UWW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3UWW-query.scw
PDB file :
Tito_Scwrl_3UWW.pdb
: