Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSYDVVIPAAGQGKRMKAGRNKLFIELKGDPVIIHTLRVFDSHRQCDKIILVINEQEREHFQQLLSDYPFQTSIELVAGGDERQHSVYKGLKAVKQEKIVLVHDGARPFIKHEQIDELIAEAEQTGAAIL-AVPVKDTIKRV-QDLQVSETIERSSLWAVQTPQAFRLSLLMKAHAEAERKGFLGTDDASLVEQMEGGSVRVVEGSYTNIKLTTPDDLTSAEAIMESESGNKHV
2XWL Chain:B ((2-218))
-ATVAVVPAAGSGERLRAGRPKAFVTLGGTPLLEHALSGLRASGVIDRIVIAVPPALTDESKLVFGG---EDSV-IVSGGVDRTESVALALEAAGDAEFVLVHDAARALTPPALIARVVAALKEGHSAVVPGLAPADTIKAVDANGAVLGTPERAGLRAVQTPQGFHADVLRRAYARATAGGV--TDDASLVEQL-GTPVQIVDGDPLAFKITTPLDLVLAEAVL---------
General information:
TITO was launched using:
RESULT:
Template:
2XWL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122235 for 1784 contacts (-68.5/contact) +
2D Compatibility (PS) -23227 + (NN) -8739 + (LL) 704
1D Compatibility (HY) -14400 + (ID) 4100
Total energy: -171997.0 ( -96.41 by residue)
QMean score : 0.444
(partial model without unconserved sides chains):
PDB file :
Tito_2XWL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2XWL-query.scw
PDB file :
Tito_Scwrl_2XWL.pdb
: