Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDTPDYKRVVLKLSGEALAGNDGFGINPSVVNLISAQIKEVVELGVEVAIVVGGGNIWRGKLGSEMGMDRAAADQMGMLATIMNSLSLQDSLENIGVATRVQTSIDMRQIAEPYIRRKAIRHLEKGRVVIFAGGTGNPYFSTDTAAALRAAEIEADVILMAKNNVDGVYNADPKLDENAKKYEELSYLDVIKEGLEVMDTTASSLSMDNDIPLIVFSFTEQGNNIKRVILGEKIGTTVRGKK
2BNE Chain:B ((7-239))
---PVYKRILLKLSGEALQGTE-FGIDASILDRMAQEIKELVELGIQVGVVIGGGNLFRGAGLAKAGMNRVVGDHMGMLATVMNGLAMRDALHRAYVNARLMSAIPLNGVCDSYSWAEAISLLRNNRVVILSAGTGNPFFTTDSAACLRGIEIEANVVLKA-TKVDGVFTADPAKDPTATMYEQLTYSEVLEKELKVMDLAAFTLARDHKLPIRVFNMNKPG-ALRRVVMGEKEGTLI----
General information:
TITO was launched using:
RESULT:
Template:
2BNE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -163323 for 2053 contacts (-79.6/contact) +
2D Compatibility (PS) -25777 + (NN) -13891 + (LL) 52
1D Compatibility (HY) -24400 + (ID) 5450
Total energy: -232789.0 ( -113.39 by residue)
QMean score : 0.553
(partial model without unconserved sides chains):
PDB file :
Tito_2BNE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BNE-query.scw
PDB file :
Tito_Scwrl_2BNE.pdb
: