Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLDTKMLRANFQEIKAKLVHKGEDLTDFDKFEALDDRRRELIGKVEELKGKRNEVSQQVAVLKREKKDADHIIKEMRE-VGEEIKKLDEELRTVEAELDTILLSIPNIPHESVPVGETED-DNVEVRKWGEKPSFAYEPKPHWDIADELGILDFERAAKVTGSRFVFYKGLGARLERALYNFMLDLHVDEYNYTEVIPPYMVNRASMTGTGQLPKFEEDAFKI-----------REEDYFLIPTAEVPITNMHRDEILSGDSLPINYAAFSACFRSEAGSAGRDTRGLIRQHQFNKVELVKFVKPED--SYEELEKLTNQAERVLQLLELPYRVMSMCTGDLGFTAAKKYDIEVWIPSQDTYREISSCSNFEAFQARRANIRFRREAK--GKPEHVHTLNGSGLAVGRTVAAILENYQQEDGSVVIPKVLRPYMGNREVMKP |
4RQF Chain:B ((103-460)) | ------------------------------------------------------------------------IKKVRLLIDEAILKCDAERIKLEAERFENLREIGNLLHPSVPISNDEDVDNKVERIWGD--CTVRKKYSHVDLVVMVDGFEGEKGAVVAGSRGYFLKGVLVFLEQALIQYALRT-LGSRGYIPIYTPFFMRKEVMQEVAQLSQFDEELYKVIGKGSEKSDDNSYDEKYLIATSEQPIAALHRDEWLRPEDLPIKYAGLSTCFRQEVGSHGRDTRGIFRVHQFEKIEQFVYSSPHDNKSWEMFEEMITTAEEFYQSLGIPYHIVNIVSGSLNHAASKKLDLEAWFPGSGAFRELVSCSNCTDYQARRLRIRYGQTKKMMDKVEFVHMLNATMCATTRTICAILENYQTKKG-ITVPEKLKEFM-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4RQF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -106635 for 2681 contacts (-39.8/contact) +
2D Compatibility (PS) -36763 + (NN) -10241 + (LL) 6104
1D Compatibility (HY) -27600 + (ID) 6850
Total energy: -181985.0 ( -67.88 by residue)
QMean score : 0.371
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