Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VDFVIEMLGIRKEFSGFVANDNITLQLKQGEIHALLGENGAGKSTLMNVLFGLYEPDGGEIRVRGT--KENINSPNKANELGIGMVHQHFMLVDKFTVAENIILGKEPSKLGVIEKKKAIEEIKEISDRYGLRVDPNAIVRDISIGMQQRVEILKTLYRGADILIFDEPTAVLTPQEIKELIQIMRSLIKEGKSIILITHKLKEIMDVCDRVTVIRRGKGMGTVNVPETTPQDLANLMVGREVVFTTEKIDANPGKDVLEVKDLVVKESRGVESVRGLNLTVRAGEIVGIAGVDGNGQSELISAIAGLSKVTSGSILLNGEHIENKKPRKITEAGLGHIPEDRHKHGLVLEMSLGENIALQTYYKKPISSKGFLNHKAMYDFARELIEEYDVRASSEYVAAKSLSGGNQQKAIIAREIHRNPDFLIAAQPTRGLDVGAIEFIHRRLIEQRDNGKAVLLMSFELDEIMNVSDRIAVIYEGKIVAIVDPKETTEQELGLMMAGSSKQEAEMGEKEHV |
3C4J Chain:B ((24-246)) | ---MIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVRE-EVGMVFQRFNLFPHMTVLNNITLA--PMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMD-----GGYIIEEGKPEDL----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C4J.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -122788 for 1804 contacts (-68.1/contact) +
2D Compatibility (PS) -24081 + (NN) -10640 + (LL) 20428
1D Compatibility (HY) -16400 + (ID) 3700
Total energy: -157181.0 ( -87.13 by residue)
QMean score : 0.428
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