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:B ((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) -196446 for 3860 contacts (-50.9/contact) +
2D Compatibility (PS) -46746 + (NN) -16764 + (LL) 1240
1D Compatibility (HY) -35600 + (ID) 8950
Total energy: -303266.0 ( -78.57 by residue)
QMean score : 0.702
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