Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNQQLIEALKSKEDKMIEIRRYLHQHPELSFHEDETAKYIAEFYKGKDVEVETNVGPRGIKVTIDSGKPGKTLAIRADFDALPITEDTGLSFASQNKGVMHACGHDAHTAYMLVLAETLAEMKDSFTGKVVVIHQPAEEVPPGGAKAMIENGVLDGVDHVLGVHVMSTMKTGNVYYRPGYVQTGRAFFKLKVQGKGGHGSSPHMANDAIVAGSYFVTALQTVVSRRLSPFETGVVTIGSFDGKGQFNVIKDVVEIEGDVRGLTDATKATIEKEIKRLSKGLEDMYGVTCTLEYNDDYPALYNDPEFTEYVAKTLKEANLDFGVEMCEPQPPSEDFAYYAKERPSAFIYTGAAVEDGEIYPHHHPKFNISEKSLLISAEAVGTVVLDYLKGDN |
4EWT Chain:A ((1-389)) | MNQQLIETLKSKEGKMIEIRRYLHQHPELSFHEDETAKYIAEFYKGKDVEVETNVGPRGIKVTIDSGKPGKTLAIRADFDALPITEDTGLSFASQNKGVMHACGHDAHTAYMLVLAETLAEMKDSFTGKVVVIHQPAEEVPPGGAKTMIENGVLDGVDHVLGVHVMSTMKTGKVYYRPGYVQTGRAFFKLKVQGKGGHGSSPHMANDAIVAGSYFVTALQTVVSRRLSPFETGVVTIGSFDGKGQFNVIKDVVEIEGDVRGLTDATKATIEKEIKRLSKGLEDMYGVTCTLEYNDDYPALYNDPEFTEYVAKTLKEANLDFGVEMCEPQPPSEDFAYYAKERPSAFIYTGAAVENGEIYPHHHPKFNISEKSLLISAEAVGTVVLDYLK--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4EWT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -187038 for 3422 contacts (-54.7/contact) +
2D Compatibility (PS) -42642 + (NN) -23759 + (LL) -328
1D Compatibility (HY) -51600 + (ID) 19200
Total energy: -324567.0 ( -94.85 by residue)
QMean score : 0.599
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