Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNEDMEQDNTTLLTEFVLTGLTYQPEWKMPLFLVFLVIYLITIVWNLGLIALIWNDPQLHIPMYFFLGSLAFVDAWISSTVTPKMLVNFLAKNRMISLSECMIQFFSFAFGGTTECFLLATMAYDRYVAICKPLLYPVIMNNSLCIRLLAFSFLGGFLHALIHEVLIFRLTFCNSNIIHHFYCDIIPLFMISCTDPSINFLMVFILSGSIQVFTIVTVLNSYTFALFTILKKKS-----------------------------------------------------------------------------------------------------------------------------------------------------------------VRGVRKAFSTCGAHLLSVSLYYGPLIFMYLRPASPQA----DDQDMIDSVFYTIIIPLLNPIIYSLRNKQVIDSFTKMVKRNV |
3V2Y Chain:A ((60-494)) | -------------------------ENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGA-TTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLK--------NNFRLFLLISACWVISLILGGLPIMGWNC-------ISALSSCSTVLPL-------YHKHY-ILFC-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) -223116 for 1953 contacts (-114.2/contact) +
2D Compatibility (PS) -26179 + (NN) 81 + (LL) 3432
1D Compatibility (HY) -22400 + (ID) 2300
Total energy: -270482.0 ( -138.50 by residue)
QMean score : 0.335
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