Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTEPDVAGAPASKPEPASTGAASAAQLSGYSRVLLKLGGEMFGGGQ-VGLDPDVVAQVARQIADVVRGGVQIAVVIGGGNFFRGAQLQQLGMERTRSDYMGMLGTVMNSLALQDFLEKEGIVTRVQTAITMGQVAEPYLPLRAVRHLEKGRVVIFGAGMGLPYFSTDTTAAQRALEIGADVVLMAKAVDGVFAEDPRVNPEAELLTAVSHREVLDRGLRVADATAFSLCMDNGMPILVFNLLTDGNIARAVRGEKIGTLVTT
2BNE Chain:A ((5-241))
-----------AKPV--------------YKRILLKLSGEALQGTEGFGIDASILDRMAQEIKELVELGIQVGVVIGGGNLFRGAGLAKAGMNRVVGDHMGMLATVMNGLAMRDALHRAYVNARLMSAIPLNGVCDSYSWAEAISLLRNNRVVILSAGTGNPFFTTDSAACLRGIEIEANVVLKATKVDGVFTADP---PTATMYEQLTYSEVLEKELKVMDLAAFTLARDHKLPIRVFNMNKPGALRRVVMGEKEGTLITE
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) -202569 for 2022 contacts (-100.2/contact) +
2D Compatibility (PS) -25904 + (NN) -15586 + (LL) 1172
1D Compatibility (HY) -22400 + (ID) 5350
Total energy: -270637.0 ( -133.85 by residue)
QMean score : 0.652
(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
: