Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDTPDYKRVVLKLSGEALAGNDGFGINPSVVNLISAQIKEVVELGVEVAIVVGGGNIWRGKLGSEMGMDRAAADQMGMLATIMNSLSLQDSLENIGVATRVQTSIDMRQIAEPYIRRKAIRHLEKGRVVIFAGGTGNPYFSTDTAAALRAAEIEADVILMAKNNVDGVYNADPKLDENAKKYEELSYLDVIKEGLEVMDTTASSLSMDNDIPLIVFSFTEQGNNIKRVILGEKIGTTVRGKK
2BNF Chain:A ((7-239))
---PVYKRILLKLSGEALQGTEGFGIDASILDRMAQEIKELVELGIQVGVVIGGGNLFRGAGLAKAGMNRVVGDHMGMLATVMNGLAMRDALHRAYVNARLMSAIPLN-VCDSYSWAEAISLLRNNRVVILSAGTGNPFFTTDSAACLRGIEIEANVVLKA-TKVDGVFTADPAKDPTATMYEQLTYSEVLEKELKVMDLAAFTLARDHKLPIRVFNMNKPG-ALRRVVMGEKEGTLI----
General information:
TITO was launched using:
RESULT:
Template:
2BNF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -169131 for 1972 contacts (-85.8/contact) +
2D Compatibility (PS) -25950 + (NN) -14661 + (LL) 344
1D Compatibility (HY) -24400 + (ID) 5500
Total energy: -239298.0 ( -121.35 by residue)
QMean score : 0.584
(partial model without unconserved sides chains):
PDB file :
Tito_2BNF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BNF-query.scw
PDB file :
Tito_Scwrl_2BNF.pdb
: