Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MGSATKYQRTLFEPEHELFRESYRAFLDRHVAPYHDEWEKTKIVDRGVWLEAGKQGFLGMAVPEEYGGGGNADFRYNTVITEETCAGRYSGIGF-GLHNDIVAPYLLALATEEQKRRWFPNFCTGELITAIAMTEPGTGSDLQGITTRAVKHGDHYVLNGSKTFITNGINSDLVIVVAQTDPEKGAQGFSLLVVERGMAGFERGRQLDKIGLDAQDTAELSFTDVAVPAENLLGQEGMGFIYLMQNLPQERISIAIMAAAGMESVLEQTLQYAKERKAFGRSIGSFQNSRFLLAELATEATVVRIMVDEFIKLHLAGKLTAEQAAMAKWYATEKQVYLNDRCLQLHGGYGYMREYPVARAYLDSRVQTIYGGTTEIMKEIIGRGLGV |
| 4M9A Chain:B ((12-385)) | ----------LYTEDQRMILDAARAFCAEVLAPNAAQWDRESHLPDEVVAQMGELGFLGMIVPADWGGS-YTDYVAYALALEEIAAGCASCATLVSVHNSVGCGPVLNYGTTEQKERWLRDLASGKTVGAFSLTEPHAGSEAHNLRTRAELRDGKWILNGSKQFVTNGARAGLAIVFAMTDPDEGKRGLSAFVVPTDTPGFIVGKPEKKMGIRASDTCPITLENCAIPQENLLGKRGEGLKIALSNLEGGRIGIAAQATGIARAAFDRARRYARERVQFGKPIAEHQAIAEKLANMATQINAARLLTHHAARLRTAGLPCLSEASQAKLFASEMAEAVCSDAIQIHGGYGFLVDYEVERHYRDARITQIYEGTSEVQRMVIARQL-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4M9A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -215796 for 3450 contacts (-62.5/contact) +
2D Compatibility (PS) -40258 + (NN) -18313 + (LL) 480
1D Compatibility (HY) -16800 + (ID) 6450
Total energy: -297137.0 ( -86.13 by residue)
QMean score : 0.494
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