Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTFEKETVLKTLFPEDVLSIAKGLTDGEVEFLQQVDSLLESNYRENINQHWIDATVPEDYFKDLGELNYFNNPLLYKDRPNAKMPSQLFQFFMSYLLARFDISLATLLGVHQGLGHNTFYFGGSKEQIAKYVPKLLSHELRTCFALTEPEHGSDVAGGLETVAE--RQGDTWVINGEKKWIGGAHVSDVIPVFAVNKKTGKPHCFVVRPEQDGVDIEVIDNKIALRIVPNALIKLTNVKVDEADRLQNITSFKDIAKILYSTRAGVAYMATGGMAGALRATLDYVTERKQFGKPISKYQLIQEKLAMMQGNLAQAMATCAQLANMQAHGEYDEVATSTAKMMNALRLRETVAMGRGITGGNGILADDYDIARFFSDAEAIYTYEGTHEINALVIGRALTGDSAFV |
1SIQ Chain:A ((84-389)) | ------------------------------------------------------------------------------------------------LERVDSGYRSAMSVQSSLVMHPIYAYGSEEQRQKYLPQLAKGELLGCFGLTEPNSGSDPSS-METRAHYNSSNKSYTLNGTKTWITNSPMADLFVVWA-RCEDGCIRGFLLEKGMRGLSAPRIQGKFSLRASATGMIIMDGVEVPEENVLPGASSLGGPFGCLNNARYGIAWGVLGASEFCLHTARQYALDRMQFGVPLARNQLIQKKLADMLTEITLGLHACLQLGRLKDQDKAAPEMVSLLKRNNCGKALDIARQARDMLGGNGI-SDEYHVIRHAMNLEAVNTYEGTHDIHALILGRAITGIQAFT |
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General information:
TITO was launched using:
| RESULT:
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Template: 1SIQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -138259 for 2520 contacts (-54.9/contact) +
2D Compatibility (PS) -33255 + (NN) -15357 + (LL) 6760
1D Compatibility (HY) -13600 + (ID) 5100
Total energy: -198811.0 ( -78.89 by residue)
QMean score : 0.504
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