Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLFDCLIIFII-----VVCIII-------SITRGFIKELCALMFLFLS------AFLTANHYDFFTINYSKYFNSKAMQNIFSTISVFIIFNLIFMIVNNWLMYILTPIRLGLIDRVTGTFVGALRGVLLSYVLFFAMHLYCYTVHDKKEE-----------QSKIEAEDILPNWIINSYSYQALFATVEDIVDVYVP-ESLILKIKEIGEGMANQEKLKGDKKEE------------------------------------------------
2DUB Chain:A ((3-261))
-NFQYIITEKKGKNSSVGLIQLNRPKALNALCNGLIEELNQALETFEEDPAVGAIVLTGGEKAFAAGADIKEMQ----NRT-------FQDCYS-------HWDHITRIKKPVIAAVNGYALGGGCELAMMCDIIYAGEKAQFGQPEILLGTIPGAGGTQRLTRAVG-KSLAMEMVLTGDRISAQDAKQAGLVSKIFPVETLVEEAIQCAEKIANNSKIIVAMAKESVNAAFEMTLTEGNKLEKKLFYSTFATDDRREGMSAFVEKRKANFKDH
General information:
TITO was launched using:
RESULT:
Template:
2DUB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -222286 for 1377 contacts (-161.4/contact) +
2D Compatibility (PS) -19005 + (NN) -2476 + (LL) 2128
1D Compatibility (HY) -2800 + (ID) 1550
Total energy: -245989.0 ( -178.64 by residue)
QMean score : 0.313
(partial model without unconserved sides chains):
PDB file :
Tito_2DUB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2DUB-query.scw
PDB file :
Tito_Scwrl_2DUB.pdb
: