Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGKDLRNYKGIKKIMAILAVFTLVQGAAIIVMAITLARAITDLFHEHPFQSVTIQIGLFAGAYFLRHFLNVWKKQIVYRYAAKLAKTMREELLDSLFALGPRFARAEGTGKVVTMVMEGVADFRNYLELFLPKMMNMAIIPAMIWVYIAFQDWTSAFILMITLPILIVFMIILGLAAKKQADSQFETYRVLSNHFVDSLKGLETLKYLGLSHDHEGKIASVSSRYRKATMKTLRVAFMSSFALDFFTMLSIALVALFLGLGLIDGNMNLPIALSVLILAPEYFLPVREVGSDYHATLDGQEAGRVIQGIIDQAKAEKPEMDALPLTTFAENTEFSFENITVKHGADDADSLHKASFTVKGFEKIGIIGATGAGKSTLIDVLSGFLTPTSGEFHWNGKSGASLASTDWQTQVTYIPQHPYLFHDTIAGNIRFYHPNST-EDEMKKAAESAGLNKLVAGLEDGYETLVGEAGRMLSGGQEQRVALARAFLTDRPVVLMDEPTAHLDIETEYELKKPMLDLFEDRLVFFATHRLHWMLEMDRIIVLDHGAVVETGTHEELLSRKGFYYNLVKAQLEEV |
3VX4 Chain:A ((29-267)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SFLDGDISFENLSYKYGF-GRDTLSDINLSIKKGSKVSLVGASGSGKTTLAKLIVNFYEPNKGIVRINGNDLKVIDKTALRRHISYLPQQAYVFSGSIMDNLVLGAKEGTSQEDIIRACEIAEIRSDIEQMPQGYQTELSD-GAGISGGQKQRIALARALLTQAPVLILDAATSSLDILTEKKIISNLLQM-TEKTIIFVAHRLSISQRTDEVIVMDQGKIVEQGTHKELLAKQGFYYNLFN------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VX4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -139409 for 1918 contacts (-72.7/contact) +
2D Compatibility (PS) -26425 + (NN) -12553 + (LL) 30904
1D Compatibility (HY) -22000 + (ID) 4200
Total energy: -173683.0 ( -90.55 by residue)
QMean score : 0.498
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