Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --------------------------------------MKHDAYEIILSWFITP------LTAILGRFAEFFLYTLHAQLVFNSAVALAFMLFAYRSLK-EQNFFSASALLEALWFVGF-------------FALFNYALKNPSRFYELF--QNAIFIAPNMIT---QSLSQSLSNFSNHALSLDFIFNHGFY-ALSFISDLSHNE-MSVWLFLSILQALFLSVLFAIIILVYLEAHVWCSLGALFLAFGFF----------KTWRSVVVICL-----KKCFALGFYKPFLL-LVGFLNVSVTK-----ALMDASMQEKQDLSLLLVVALFLCCVFIIGVPFFINALFRVQNSLKETYKLATNLSANLTQSAFQSLQHATTSPAPSHISSSASQSVSKEKETHSPTFKVETTQLDVKIPNFKQKKVKKDTIDTKNEI--------------------------------------------------- |
4EXK Chain:A ((4-478)) | AKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPAAAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYAAGKYDIKDVGVD---NAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTING---PWAWSNIDTSAVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAAS-----GRQTVDAALAAAQTNAAANTPS--PDLTVMSIDKSVLSPGESATITTIVKDIDGNPVNEVHINKTVARENLKGLWDYGPLKKENVPGKYTQVITYRGHSNERIDISFKYAMSFTKEISIRGRLS |
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General information:
TITO was launched using:
| RESULT:
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Template: 4EXK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -303410 for 2460 contacts (-123.3/contact) +
2D Compatibility (PS) -35214 + (NN) -9526 + (LL) 1556
1D Compatibility (HY) 0 + (ID) 2900
Total energy: -349494.0 ( -142.07 by residue)
QMean score : 0.194
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