Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGKDLRNYKGIKKIMAILAVFTLVQGAAIIVMAITLARAITDLFHEHPFQSVTIQIGLFAGAYFLRHFLNVWKKQIVYRYAAKLAKTMREELLDSLFALGPRFARAEGTGKVVTMVMEGVADFRNYLELFLPKMMNMAIIPAMIWVYIAFQDWTSAFILMITLPILIVFMIILGLAAKKQADSQFETYRVLSNHFVDSLKGLETLKYLGLSHDHEGKIASVSSRYRKATMKTLRVAFMSSFALDFFTMLSIALVALFLGLGLIDGNMNLPIALSVLILAPEYFLPVREVGSDYHATLDGQEAGRVIQGIIDQAKAEKPEMDALPLTTFAENTEFSFENITVKHGADDADSLHKASFTVKGFEKIGIIGATGAGKSTLIDVLSGFLTPTSGEFHWNGK--SGASLASTDWQTQVTYIPQHPYLF-HDTIAGNIRFYHPNSTEDEMKKAAESAGLNKLV-AGLEDGYETLVGEAGRMLSGGQEQRVALARAFLTDRPVVLMDEPTAHLDIETEYELKKPMLDLFEDRL-VFFATHRLHWMLEM-DRIIVLDHGAVVETGTHEELLSRKGFYYNLVKAQLEEV |
4YMV Chain:A ((15-226)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLA-PVKVKKMNKKEAEELAVDLLAKVGLLDKKD----QYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYR--------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4YMV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -86974 for 1590 contacts (-54.7/contact) +
2D Compatibility (PS) -22521 + (NN) -9476 + (LL) 32792
1D Compatibility (HY) -14400 + (ID) 3650
Total energy: -104229.0 ( -65.55 by residue)
QMean score : 0.418
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