Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRKPFIAGNWKMNKNPEEAKAFIEAVASKLPSS--ELVEAGIAAPALTLSTVLEAAKGSELKI--AAQNSYFENSGAFTGENSPKVLAEMGTDYVVIGHSERRDYFHETDQDINKKAKAIFANGLTPIICCGESLETYEAGKAVEFVGAQVSAALAGLSEEQVSSLVIAYEPIWAIGTGKSATQDDAQNMCKAVRDVVAADFGQAVADKVRVQYGGSVKPENVAEYMACPDVDGALVGGASLEAESFLALLDFVK
3TAO Chain:A ((2-251))
-SRKPLIAGNWKMNLNHYEAIALVQKIAFSLPDKYYDRVDVAVIPPFTDLRSVQTLVDGDKLRLTYGAQDLSPHDSGAYTGDVSGAFLAKLGCSYVVVGHSERRTYHNEDDALVAAKAATALKHGLTPIVCIGEHLDVREAGNHVAHNIEQLRGSLAGLLAEQIGSVVIAYEPVWAIGTGRVASAADAQEVCAAIRKELASLASPRIADTVRVLYGGSVNAKNVGDIVAQDDVDGGLVGGASLDGEHFATLAAIAA
General information:
TITO was launched using:
RESULT:
Template:
3TAO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -104850 for 2110 contacts (-49.7/contact) +
2D Compatibility (PS) -26985 + (NN) -13111 + (LL) 208
1D Compatibility (HY) -18800 + (ID) 5900
Total energy: -169438.0 ( -80.30 by residue)
QMean score : 0.604
(partial model without unconserved sides chains):
PDB file :
Tito_3TAO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TAO-query.scw
PDB file :
Tito_Scwrl_3TAO.pdb
: