Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRKPLVGINMKNYINTRAQTSEWLEATIPLLGNFSDVDTFIFPSMGTLETTANLLAGTSFGFGPQNMAPEKSGPLTGEFSVESIIDLSANYVEIGHAERKNLFHEKTSEIAKKIQLALDEKITPVVCVGEGIRANDTNELKNALKKQIEALFDTIQVTQFKNVVLAYEPEWAIGKANSADTDYIESAHQALREIIRELGGD-ETLVRIIYGGSVSKENAAEIVRQKNVDGLFVGRFGHKPQNFADIVSIVSKTKG
4IOT Chain:A ((1-253))
MRHPLVMGNWK-LNGSRHMVHELVSNLRKELAGVAGCAVAIAPPEMYIDMAKREAEGSHIMLGAQNVDLNLSGAFTGETSAAMLKDIGAQYIIIGHSERRTYHKESDELIAKKFAVLKEQGLTPVLCIGETEAENEAGKTEEVCARQIDAVLKTQGAAAFEGAVIAYEPVWAIGTGKSATPAQAQAVHKFIRDHIAKVDANIAEQVIIQYGGSVNASNAAELFAQPDIDGALVGGASLKADAFAVIVKAAEAAK-
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) -148527 for 2182 contacts (-68.1/contact) +
2D Compatibility (PS) -27303 + (NN) -9408 + (LL) -252
1D Compatibility (HY) -10800 + (ID) 4150
Total energy: -200440.0 ( -91.86 by residue)
QMean score : 0.599
(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
: