Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGKDLRNYKGIKKIMAILAVFTLVQGAAIIVMAITLARAITDLFHEHPFQSVTIQIGLFAGAYFLRHFLNVWKKQIVYRYAAKLAKTMREELLDSLFALGPRFARAEGTGKVVTMVMEGVADFRNYLELFLPKMMNMAIIPAMIWVYIAFQDWTSAFILMITLPILIVFMIILGLAAKKQADSQFETYRVLSNHFVDSLKGLETLKYLGLSHDHEGKIASVSSRYRKATMKTLRVAFMSSFALDFFTMLSIALVALFLGLGLIDGNMNLPIALSVLILAPEYFLPVREVGSDYHATLDGQEAGRVIQGIIDQAKAEKPEMDALPLTTFAENT----EFSFENITVKHGADDADSLHKASFTVKGFEKIGIIGATGAGKSTLIDVLSGFLTPTSGEFHWNGKSGASLASTDWQTQVTYIPQHPYLFHDTIAGNIRF-YHPNSTEDEMKKAAESAGLNKLVAGLEDGYETLVGEAGRMLSGGQEQRVALARAFLTDRPVVLMDEPTAHLDIETEYELKKPMLDLFEDRLVFFATHRLHWMLEMDRIIVLDHGAVVETGTHEELLSRKGFYYNLVKAQLEEV |
3VX4 Chain:D ((28-265)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NSFLDGDISFENLSYKYGFG-RDTLSDINLSIKKGSKVSLVGASGSGKTTLAKLIVNFYEPNKGIVRINGNDLKVIDKTALRRHISYLPQQAYVFSGSIMDNLVLGAKEGTSQEDIIRACEIAEIRSDIEQMPQGYQTELSD-GAGISGGQKQRIALARALLTQAPVLILDAATSSLDILTEKKIISNLLQMTEKTIIFVA-HRLSISQRTDEVIVMDQGKIVEQGTHKELLAKQGFYYNL-------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3VX4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -140189 for 1869 contacts (-75.0/contact) +
2D Compatibility (PS) -25875 + (NN) -10948 + (LL) 31460
1D Compatibility (HY) -22400 + (ID) 4300
Total energy: -172252.0 ( -92.16 by residue)
QMean score : 0.519
|
|
|