Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTFEKETVLKTLFPEDVLSIAKGLTDGEVEFLQQVDSLLESNYRENINQHWIDATVPEDYFKDLGELNYFNNPLLYKDRPNAKMPSQLFQFFMSYLLARFDISLATLLGVHQGLGHNTFYFGGSKEQIAKYVPKLLSHELRTCFALTEPEHGSDVAGGLETVAERQGDTWVINGEKKWIGGAHVSDVIPVFAVNKKTGKPHCFVVRPEQDGVDIEVIDNKIALRIVPNALIKLTNVKVDEADRLQNITSFKDIAKILYSTRAGVAYMATGGMAGALRATLDYVTERKQFGKPISKYQLIQEKLAMMQGNLAQAMATCAQLANMQAHGEYDEVATSTAKMMNALRLRETVAMGRGITGGNGILADDYDIARFFSDAEAIYTYEGTHEINALVIGRALTGDSAFV |
2EBA Chain:G ((3-385)) | ---------------DFYALEDLLTPEEKEVQKAARRFLEKEALPHIRDWWEEGVFPTHLIPRFAELGFLG-PTLPPEYGGAGVSSAAYGL-ICYELERVDSGLRSFVSVQSSLVMYPIYAYGSEEQKREFLPKLARGEMVGCFGLTEPDGGSDPYGNMKTRARR--DTWVLNGTKMWITNGNLAHLAVIWAKD----EVLGFLVPTDTPGFQAREVKRKMSLRASVTSELVLEEVRVPESLRLPKALGLKAPLSCLTQARFGIAWGAMGALEAVYEEAVAFAKSRSTFGEPLAKKQLVQAKLAEMLAWHTEGLLLAWRLARLKDEGKLTPAQVSLAKRQNVWKALQAARMARDILGGSGITL-EYHAIRHMLNLETVYTYEGTHDVHTLVLGREITGLNAF- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2EBA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -212037 for 3430 contacts (-61.8/contact) +
2D Compatibility (PS) -41366 + (NN) -20208 + (LL) 1596
1D Compatibility (HY) -21600 + (ID) 5900
Total energy: -299515.0 ( -87.32 by residue)
QMean score : 0.550
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