Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MGSATKYQRTLFEPEHELFRESYRAFLDRHVAPYHDEWEKTKIVDRGVWLEAGKQGFLGMAVPEEYGGGGNADFRYNTVITEETCAGRYSGIGFGLHNDIVAPYLLALATEEQKRRWFPNFCTGELITAIAMTEPGTGSDLQGITTRAVKHGDHYVLNGSKTFITNGINSDLVIVVAQTDP----EKGAQGFSLLVVERGMAGFERGRQLDKIGLDAQDTAELSFTDVAVPAENLLGQEGMGFIYLMQNLPQERISIAIMAAAGMESVLEQTLQYAKERKAFGRSIGSFQNSRFLLAELATEATVVRIMVDEFIKLHLAGKLTAEQAAMAKWYATEKQVYLNDRCLQLHGGYGYMREYPVARAYLDSRVQTIYGGTTEIMKEIIGRGLGV |
| 1WS9 Chain:A ((18-383)) | ----------------------FREFLKAEVAPGAAERDRTGAFPWDLVRKLAEFGVFGALVPEAYGGAGLSTRLFARMVEAIAYYDGALALTVASHNSLATGHILLAGSEAQKEAFLPKLASGEALGAWGLTEPGSGSDAAALKTKAEKVEGGWRLNGTKQFITQGSVAGVYVVMARTDPPPSPERKHQGISAFAFFRPERGLKVGRKEEKLGLTASDTAQLILEDLFVPEEALLGERGKGFYDVLRVLDGGRIGIAAMAVGLGQAALDYALAYAKGREAFGRPIAEFEGVSFKLAEAATELEAARLLYLKAAELKDAGRPFTLEAAQAKLFASEAAVKACDEAIQILGGYGYVKDYPVERYWRDARLTRIGEGTSEILKLVIARRL-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1WS9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -173661 for 3352 contacts (-51.8/contact) +
2D Compatibility (PS) -39381 + (NN) -15118 + (LL) 1660
1D Compatibility (HY) -18400 + (ID) 6750
Total energy: -251650.0 ( -75.07 by residue)
QMean score : 0.457
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