Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGSATKYQRTLFEPEHELFRESYRAFLDRHVAPYHDEWEKTKIVDRGVWLEAGKQGFLGMAVPEEYGGGGNADFRYNTVITEETCAGRYSGIGFGLHNDIVAPYLLALATEEQKRRWFPNFCTGELITAIAMTEPGTGSDLQGITTRAVKHGDHYVLNGSKTFITNGINSDLVIVVAQTDP----EKGAQGFSLLVVERGMAGFERGRQLDKIGLDAQDTAELSFTDVAVPAENLLGQEGMGFIYLMQNLPQERISIAIMAAAGMESVLEQTLQYAKERKAFGRSIGSFQNSRFLLAELATEATVVRIMVDEFIKLHLAGKLTAEQAAMAKWYATEKQVYLNDRCLQLHGGYGYMREYPVARAYLDSRVQTIYGGTTEIMKEIIGRGLGV |
2D29 Chain:A ((18-383)) | ----------------------FREFLKAEVAPGAAERDRTGAFPWDLVRKLAEFGVFGALVPEAYGGAGLSTRLFARMVEAIAYYDGALALTVASHNSLATGHILLAGSEAQKEAFLPKLASGEALGAWGLTEPGSGSDAAALKTKAEKVEGGWRLNGTKQFITQGSVAGVYVVMARTDPPPSPERKHQGISAFAFFRPERGLKVGRKEEKLGLTASDTAQLILEDLFVPEEALLGERGKGFYDVLRVLDGGRIGIAAMAVGLGQAALDYALAYAKGREAFGRPIAEFEGVSFKLAEAATELEAARLLYLKAAELKDAGRPFTLEAAQAKLFASEAAVKACDEAIQILGGYGYVKDYPVERYWRDARLTRIGEGTSEILKLVIARRL-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2D29.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -175235 for 3327 contacts (-52.7/contact) +
2D Compatibility (PS) -39392 + (NN) -15701 + (LL) 1660
1D Compatibility (HY) -18400 + (ID) 6750
Total energy: -253818.0 ( -76.29 by residue)
QMean score : 0.462
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