Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQALLFLMALLLPSRAGAEEIIGGVESEPHSRPYMAYVNTFSKKGYVAICGGFLIAPQFVMTAAHCSG--RRMTVTLGAHNVRKRECTQQKIKVEKYILPPNYNVSSK--FNDIVLLKLKKQANLTSAVDVVPLPGPSDFAKPGTMCWAAGWGRTGVKKSISHTLREVELKIVGEKACKIF---RHYKDSLQICVGSSTKVASVYMGDSGGPLLC---AGV--AHGIVSSGR--GNA--KPPAIFTRISPHVPWINRVIKGE
1BRU Chain:P ((1-241))
--------------------VVGGEDARPNSWPWQVSLQYDSSGQWRHTCGGTLVDQSWVLTAAHCISSSRTYRVVLGRHSLSTNEPGSLAVKVSKLVVHQDWNSNQLSNGNDIALLKLASPVSLTDKIQLGCLPAAGTILPNNYVCYVTGWGRLQTNGASPDILQQGQLLVVDYATCSKPGWWGSTVKTNMICAGGD-GIISSCNGDSGGPLNCQGANGQWQVHGIVSFGSSLGCNYYHKPSVFTRVSNYIDWINSVIANN
General information:
TITO was launched using:
RESULT:
Template:
1BRU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -160667 for 1885 contacts (-85.2/contact) +
2D Compatibility (PS) -24768 + (NN) -11456 + (LL) 2320
1D Compatibility (HY) -12800 + (ID) 3800
Total energy: -211171.0 ( -112.03 by residue)
QMean score : 0.503
(partial model without unconserved sides chains):
PDB file :
Tito_1BRU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1BRU-query.scw
PDB file :
Tito_Scwrl_1BRU.pdb
: