Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSASNITLTHPTAFLLVGIPGLEHLHIWISIPFCLAYTLALLGNCTLLLIIQADAALHEPMYLFLAMLAAIDLVLSSSALPKMLAIFWFRDREINFFACLAQMFFLHSFSIMESAVLLAMAFDRYVAICKPLHYTKVLTGSLITKIGMAAVARAVTLMTPLPFLLRCFHYCRGPVIAHCYCEHMAVVRLACGDTSFNNIYGIAVAMFIVVLDLLLVILSYIFILQAVLLLASQ-----------------------------------------------------------------------------------------------------------------------------------------------------------------EARYKAFGTCVSHIGAILAFYTTVVISSVMHRVARHA--APHVHILLANFYLLFPPMVNPIIYGVKTKQIRESILGVFPRKDM |
3V2Y Chain:A ((61-495)) | -----------------------NSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGA-TTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLK--------NNFRLFLLISACWVISLILGGLPIMGWNCIS-------ALSSCSTVLPL--------YHKHYIL-FCTTVFTLLLLSIVILYCRIYSLVRTRNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYASRSSENVALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMGRPL- |
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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) -253520 for 1959 contacts (-129.4/contact) +
2D Compatibility (PS) -27451 + (NN) -11266 + (LL) 3200
1D Compatibility (HY) -20800 + (ID) 2400
Total energy: -312237.0 ( -159.39 by residue)
QMean score : 0.297
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