Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTIKKTLTIAGSDSSGGAGLQADLKTFEEYGTYGFSAITTIVTMDPDNNWAHGVTPIDAQLVREQLKTILSGGPVDAMKTGMLGSIEIIKATREAIDKYDLKNVVIDPVMVCKGEDELIQPENAEAIRDLLLPKATITTPNLFEAGQLSGLGKLTTLDDMKAAAKKIIELGAKYVVIKGGKALESDKAIDLLYDGKEFTIYEVEKISPSHNHGAGCTFAAAITAGLAKGLTVEEAVAKAKDFVTAAIKGGFALNEFIGPVWHGAYNKAENR |
4C5N Chain:B ((3-268)) | --LKKVLTIAGSDTSAGAGMQADLKTFQELDTYGMVALTAIVTMDKDT-WSHDVTPLPMDVFEKQLETALSIGP-DAIKTGMLGTEEIIKRAGEVYEASNAQYFVVDPVMV-------LNPGNTEAMIKYLLPKATVVTPNLFEAGQLSGLGKLNSIEDMKKAATIIFDKGAQHVIIKGGKALDQDKSYDLYYDGQTFYQLTTDMFQQSYNHGAGCTFAAATTAYLANGKSPKEAVISAKAFVASAIKNGWKMNDFVGPVDHGAYNRIEH- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4C5N.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -112936 for 2361 contacts (-47.8/contact) +
2D Compatibility (PS) -29566 + (NN) -17096 + (LL) 728
1D Compatibility (HY) -23600 + (ID) 7600
Total energy: -190070.0 ( -80.50 by residue)
QMean score : 0.579
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