Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRRPLVAGNWKMHGTHSSVAELIKGLR-QLALPSGVDVAVMPPCLFISQVIQGLAGKAIDVGAQNSAVEPMQGALTGETAPSQLADVGCSMVLVGHSERRLILGESDEVVSRKFAAAQSCGLVPVLCVGETRAEREAGKTLEVVARQLGSVIDELGVGAFARAVVAYEPVWAIGTGLTASPAQAQEVHAAIRAQLAAENAEVAKGVRLLYGGSVKAASAAELFGMPDIDGGLVGGASLNADEFGAICRAAGS
4IOT Chain:A ((1-249))
MRHPLVMGNWKLNGSRHMVHELVSNLRKELAGVAGCAVAIAPPEMYIDMAKREAEGSHIMLGAQNVDLN-LSGAFTGETSAAMLKDIGAQYIIIGHSERRTYHKESDELIAKKFAVLKEQGLTPVLCIGETEAENEAGKTEEVCARQIDAVLKTQGAAAFEGAVIAYEPVWAIGTGKSATPAQAQAVHKFIRDHIAKVDANIAEQVIIQYGGSVNASNAAELFAQPDIDGALVGGASLKADAFAVIVKAA--
General information:
TITO was launched using:
RESULT:
Template:
4IOT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -164157 for 2136 contacts (-76.9/contact) +
2D Compatibility (PS) -27250 + (NN) -12411 + (LL) -340
1D Compatibility (HY) -19200 + (ID) 6600
Total energy: -229958.0 ( -107.66 by residue)
QMean score : 0.603
(partial model without unconserved sides chains):
PDB file :
Tito_4IOT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4IOT-query.scw
PDB file :
Tito_Scwrl_4IOT.pdb
: