Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSTELLDALHVLEHDKGISREVLVEAIEAALTSAYKRNFKDAQNVRVDLNMENGSIRVLARKEAVEQVFDSRLEISMEEAHKLNPVYQPGDVVELEVTPKDFGRIAAQTAKQVVTQRVREAERGIIYDEFIDREDDIMTGIVERQDSRFIYVNL-GKIEAILSQNEQMPN--ETYHAHDRIKVYLTKVEKTTKGPQIFVSRTHPGLLKRLFEMEVPEIYDGVVEIKSVAREAGDRSKISVYTANEEVDPVGACVGPKGARVQTIVNELKGEKIDIVEWSEDPFTFVANALSPSKVLDVIVNEADQATTVIVPDYQLSLAIGKRGQNARLAAKLTGWKIDIKSETVATELGIYPRNGVEAPEVEEAESETFTEDEE |
| 2K52 Chain:A ((4-73)) | ------------------------------------------------------------------------------------------------------------------------------------EPGKFYKGVVTRIEKYGAFINLNEQVRGLLRPRDMISLRLENLNVGDEIIVQAIDVRPE--KREIDFKYIPL--------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2K52.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -22814 for 410 contacts (-55.6/contact) +
2D Compatibility (PS) -7488 + (NN) -5014 + (LL) 23676
1D Compatibility (HY) -4800 + (ID) 600
Total energy: -17040.0 ( -41.56 by residue)
QMean score : 0.461
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