Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MADDNFTVVTEFILLGLTDHAELKAVLFVVFLVIYAITLLRNLGMILLIQITSKLHTPMYFLLSCLSFVDACYSSAIAPKMLVNLLVVKATISFSACMVQHLCFGVFITTEGFLLSVMAYDRYVAIVSPLLYTVAMSDRKCVELVTGSWIGGIVNTLIHTISLRRLSFCRLNAVSHFFCDIPSLLKLSCSDTSMNELLLLTFSGVIAMATFLTVIISYIFIAFASLRIHS-----------------------------------------------------------------------------------------------------------------------------------------------------------------ASGRQQAFSTCASHLTAVTIFYGTLIFSYIQPSSQYF----VEQEKVVSMFYTLGIPMLNLLIHSLRNKDVKEAVKRAIEMKHFLC |
3V2Y Chain:A ((60-495)) | --------------------ENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGA-TTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLK--------NNFRLFLLISACWVISLILGGLPIMGWNC-------ISALSSCSTVLPLY--------HKHYILFC-TTVFTLLLLSIVILYCRIYSLVRTRNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYASRSSENVALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMGRPL--- |
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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) -196633 for 1960 contacts (-100.3/contact) +
2D Compatibility (PS) -26474 + (NN) -1957 + (LL) 3848
1D Compatibility (HY) -22400 + (ID) 2200
Total energy: -245816.0 ( -125.42 by residue)
QMean score : 0.262
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