Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTEPDVAGAPASKPEPASTGAASAAQLSGYSRVLLKLGGEMFGGGQVGLDPDVVAQVARQIADVVRGGVQIAVVIGGGNFFRGAQLQQLGMERTRSDYMGMLGTVMNSLALQDFLEKEGIVTRVQTAITMGQVAEPYLPLRAVRHLEKGRVVIFGAGMGLPYFSTDTTAAQRALEIGADVVLMAKAVDGVFAEDPRVNPEAELLTAVSHREVLDRGLRVADATAFSLCMDNGMPILVFNLLTDGNIARAVRGEKIGTLVTT
2BND Chain:B ((9-240))
-----------------------------YKRILLKLSGEALQGTEFGIDASILDRMAQEIKELVELGIQVGVVIGGGNLFRGAGLAKAGMNRVVGDHMGMLATVMNGLAMRDALHRAYVNARLMSAIPLNAVCDSYSWAEAISLLRNNRVVILSAGTGNPFFTTDSAACLRGIEIEANVVLKATKVDGVFTADPAKDPTATMYEQLTYSEVLEKELKVMDLAAFTLARDHKLPIRVFNMNKPGALRRVVMGEKEGTLIT-
General information:
TITO was launched using:
RESULT:
Template:
2BND.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -212145 for 1992 contacts (-106.5/contact) +
2D Compatibility (PS) -25783 + (NN) -14494 + (LL) 1012
1D Compatibility (HY) -22000 + (ID) 5250
Total energy: -278660.0 ( -139.89 by residue)
QMean score : 0.608
(partial model without unconserved sides chains):
PDB file :
Tito_2BND.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BND-query.scw
PDB file :
Tito_Scwrl_2BND.pdb
: