Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSMTPIARAVAFAALGSSITVPTLAHAEFIKDSKASIELRNFYFNRDFRQEGASQSKAEEWAQGFLLRYESGYTEGTIGFGVDAIGLLGVKLDSSPDRSGTGLLKRDRETGRAQDDYGEAGITAKLRASKSTLKIGTLTPKLPVIMPNDSRLLPQTFQGGALNSMEIDGLTLDAGRLKKVNQRDSSDNEDMTITGGGKRNIVVRSGLTSDKFDFAGGSYKWTDNLS-TSYHYGKLDNFYKQHYLGLVHTLPIADKQSLKSDIRWARSTDDGSS---NVDNKALNAMFTYSLGYHAFGVGYQKMSGDTGFAYING-ADPYLVNFIQIGDFANKDEKSWQARYDYNFAGVGIPGLTFMTRYVKGDNIDLLTTSGEGKEWERDMDIAYVFQSGPLKNLGVKWRNATMRTNYT-NDYDENRLIVSYTLPLW |
3JTY Chain:A ((7-393)) | ----------------------------FLEDAQANLTLRNFYFNRNFTNPTKAQGKAEEWTQSFILDAKSGFTQGTVGFGMDVLGLYSLKLDGGKGTGGTQLLPLDHD-GRPADNFGRLGVAFKARLSQTEVKVGEWMPVLPILRSDDGRSLPQTFRGGQITSKEIAGLTLYGGQFRANSPRDDSSMSDMSMFG--------KAAFTSDRFNFQGAEYAFNDKRTQIALWNAQLKDIYSQQFINLIHSQPLGD-WTLGANLGFFYGKEDGSARAGDMENRTWSGLFSAKYGGNTFYVGLQKLTGDSAWMRVNGTSGGTLANDSYNASYDNAKEKSWQVRHDYNFAALGVPGLTLMNRYISGSNVHTATVS-DGKEWGRESEVAYTVQSGTLKNLNLKWRNSTMRRDFSNNEFDENRLIISYPLSL- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3JTY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) 37835 for 3028 contacts (12.5/contact) +
2D Compatibility (PS) -39063 + (NN) -2888 + (LL) 2996
1D Compatibility (HY) -30400 + (ID) 8250
Total energy: -39770.0 ( -13.13 by residue)
QMean score : 0.228
|
|
|