Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MGSATKYQRTLFEPEHELFRESYRAFLDRHVAPYHDEWEKTKIVDRGVWLEAGKQGFLGMAVPEEYGGGGNADFRYNTVITEETCAGRYSGIGF-GLHNDIVAPYLLALATEEQKRRWFPNFCTGELITAIAMTEPGTGSDLQGITTRAVKHGDHYVLNGSKTFITNGINSDLVIVVAQTDPEKGAQGFSLLVVERGMAGFERGRQLDKIGLDAQDTAELSFTDVAVPAENLLGQEGMGFIYLMQNLPQERISIAIMAAAGMESVLEQTLQYAKERKAFGRSIGSFQNSRFLLAELATEATVVRIMVDEFIKLHLAGKLTAEQAAMAKWYATEKQVYLNDRCLQLHGGYGYMREYPVARAYLDSRVQTIYGGTTEIMKEIIGRGLGV |
| 4M9A Chain:A ((12-385)) | ----------LYTEDQRMILDAARAFCAEVLAPNAAQWDRESHLPDEVVAQMGELGFLGMIVPADWGGS-YTDYVAYALALEEIAAGCASCATLVSVHNSVGCGPVLNYGTTEQKERWLRDLASGKTVGAFSLTEPH-----HNLRTRAELRDGKWILNGSKQFVTNGARAGLAIVFAMTDPDEGKRGLSAFVVPTDTPGFIVGKPEKKMGIRASDTCPITLENCAIPQENLLGKRGEGLKIALSNLEGGRIGIAAQATGIARAAFDRARRYARERVQFGKPIAEHQAIAEKLANMATQINAARLLTHHAARLRTAGLPCLSEASQAKLFASEMAEAVCSDAIQIHGGYGFLVDYEVERHYRDARITQIYEGTSEVQRMVIARQL-- |
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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) -208296 for 3400 contacts (-61.3/contact) +
2D Compatibility (PS) -39477 + (NN) -16227 + (LL) 432
1D Compatibility (HY) -17200 + (ID) 6350
Total energy: -287118.0 ( -84.45 by residue)
QMean score : 0.488
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