Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRRPLVAGNWKMHGTHSSVAELIKGLR-QLALPSGVDVAVMPPCLFISQVIQGLAGKAIDVGAQNSAVEPMQGALTGETAPSQLADVGCSMVLVGHSERRLILGESDEVVSRKFAAAQSCGLVPVLCVGETRAEREAGKTLEVVARQLGSVIDELGVGAFARAVVAYEPVWAIGTGLTASPAQAQEVHAAIRAQLAAENAEVAKGVRLLYGGSVKAASAAELFGMPDIDGGLVGGASLNADEFGAICRAAGS
4K6A Chain:A ((25-273))
MRHPLVMGNWKLNGSRHMVHELVSNLRKELAGVAGCAVAIAPPEMYIDMAKREAEGSHIMLGAQNVDLN-LSGAFTGETSAAMLKDIGAQYIIIGHSERRTYHKESDELIAKKFAVLKEQGLTPVLCIGETEAENEAGKTEEVCARQIDAVLKTQGAAAFEGAVIAYEPVWAIGTGKSATPAQAQAVHKFIRDHIAKVDANIAEQVIIQYGGSVNASNAAELFAQPDIDGALVGGASLKADAFAVIVKAA--
General information:
TITO was launched using:
RESULT:
Template:
4K6A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -168823 for 2140 contacts (-78.9/contact) +
2D Compatibility (PS) -27250 + (NN) -12411 + (LL) -340
1D Compatibility (HY) -19200 + (ID) 6600
Total energy: -234624.0 ( -109.64 by residue)
QMean score : 0.597
(partial model without unconserved sides chains):
PDB file :
Tito_4K6A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4K6A-query.scw
PDB file :
Tito_Scwrl_4K6A.pdb
: