Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTKTL-PEDFIFGGATAAYQAEGATNTDGKGRVAWDTYLE-----ENYWYTAEPASDFYNRYPVDLELSEKFGVNGIRISIAWSRIFPNGYGEVNPKGVEYYHKLFAECHKRHVEPFVTLHHFDTPEVLHKDGDFLNRKTIDYFVDYAEYCFKEFPE-VKYWTTFNEIGPIGDGQYLVGKFPPGIKYDFEKVFQSHHNMMVAHARAVKLFKDGGYQGEIGVVHALPTKYPFDPSNPEDVRAAELEDIIHNKFILDATYLGKYSRETMEGVQHILSVNGGKLNITDEDYAILDAAKDLNDFLGINYYMSDWMRGYDGESEITHNATGDKGGSKYQLKGVGQREFDVDVPRTDWDWMIYPQGLYDQIMRVVKDYPNYHKIYITENGLGYKDEFIESEKTVHDDARIDYVRQHLNVIADAIKDGANVKGYFIWSLMDVFSWSNGYEKRYGLFYVDFET-QERYPKKSAYWYKELAETKEIK |
4PTX Chain:A ((5-449)) | ---IIFPEDFIWGAATSSYQIEGAFNEDGKGESIWDRFSHTPGKIEN-GDTGDIACDHYHLYREDIELMKEIGIRSYRFSTSWPRILPEGKGRVNQKGLDFYKRLVDNLLKANIRPMITLYHWDLPQALQDKGGWTNRDTAKYFAEYARLMFEEFNGLVDLWVTHNEPWVVAFEGHAFGNHAPGTK-DFKTALQVAHHLLLSHGMAVDIFREEDLPGEIGITLNLTPAYPAGDSE-KDVKAASLLDDYINAWFLSPVFKGSYPEE----LHHIYEQNLGAFTTQPGDMDII--SRDI-DFLGINYYSRMVVRHKPGDNLFNAEVVKME-----------------DRPSTEMGWEIYPQGLYDILVRVNKEYTD-KPLYITENGAAFDDKLTE-EGKIHDEKRINYLGDHFKQAYKALKDGVPLRGYYVWSLMDNFEWAYGYSKRFGLIYVDYENGNRRFLKDSALWYREVIEKGQV- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4PTX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -191679 for 3872 contacts (-49.5/contact) +
2D Compatibility (PS) -46481 + (NN) -16086 + (LL) 1240
1D Compatibility (HY) -35600 + (ID) 8950
Total energy: -297556.0 ( -76.85 by residue)
QMean score : 0.686
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