Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTLGNSTEVTEFYLLGFGAQHEFWCILFIVFLLIYVTSIMGNSGIILLINTDSRFQTLTYFFLQHLAFVDICYTSAITPKMLQSFTEEKNLMLFQGCVIQFLVYATFATSDCYLLAMMAVDPYVAICKPLHYTVIMSRTVCIRLVAGSYIMGSINASVQTGFTCSLSFCKSNSINHFFCDVPPILALSCSNVDINIMLLVVFVGSNLIFTGLVVIFSYIYIMATILKMSS-----------------------------------------------------------------------------------------------------------------------------------------------------------------SAGRKKSFSTCASHLTAVTIFYGTLSYMYLQSHSNN----SQENMKVAFIFYGTVIPMLNPLIYSLRNKEVKEALKVI-GKKLF |
3V2Y Chain:A ((61-495)) | ---------------------NSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGA-TTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLK--------NNFRLFLLISACWVISLILGGLPIMGWNC-------ISALSSCSTVLPL-------Y-HKHY-ILFCTTVFTLLLLSIVILYCRIYSLVRTRNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYASRSSENVALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMGRPL- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3V2Y.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -188488 for 1941 contacts (-97.1/contact) +
2D Compatibility (PS) -26338 + (NN) -2832 + (LL) 3500
1D Compatibility (HY) -21200 + (ID) 2400
Total energy: -237758.0 ( -122.49 by residue)
QMean score : 0.254
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