Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNQQLIEALKSKEDKMIEIRRYLHQHPELSFHEDETAKYIAEFYKGKDVEVETNVGPRGIKVTIDSGKPGKTLAIRADFDALPITEDTGLSFASQNKGVMHACGHDAHTAYMLVLAETLAEMKDSFTGKVVVIHQPAEEVPPGGAKAMIENGVLDGVDHVLGVHVMSTMKTGNVYYRPGYVQTGRAFFKLKVQGKGGHGSSPHMANDAIVAGSYFVTALQTVVSRRLSPFETGVVTIGSFDGKGQFNVIKDVVEIEGDVRGLTDATKATIEKEIKRLSKGLEDMYGVTCTLEYNDDYPALYNDPEFTEYVAKTLKEANLDFGVEMCEPQPPSEDFAYYAKERPSAFIYTGAAVEDGEIYPHHHPKFNISEKSLLISAEAVGTVVLDYLKGDN |
4EWT Chain:B ((1-386)) | MNQQLIETLKSKEGKMIEIRRYLHQHPELSFHEDETAKYIAEFYKGKDVEVETNVGPRGIKVTIDSGKPGKTLAIRADFDALPITEDTGLSFASQNKGVMHACGHDAHTAYMLVLAETLAEMKDSFTGKVVVIHQPAEEVPPGGAKTMIENGVLDGVDHVLGVHVMSTMKTGKVYYRPGYVQTGRAFFKLKVQGKGGHGSSPHMANDAIVAGSYFVTALQTVVSRRLSPFETGVVTIGSFDGKGQFNVIKDVVEIEGDVRGLTDATKATIEKEIKRLSKGLEDMYGVTCTLEYNDDYPALYNDPEFTEYVAKTLKEANL-----MCEPQPPSEDFAYYAKERPSAFIYTGAAV------PHHHPKFNISEKSLLISAEAVGTVVLD------ |
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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) -180955 for 3245 contacts (-55.8/contact) +
2D Compatibility (PS) -40748 + (NN) -23966 + (LL) 440
1D Compatibility (HY) -49200 + (ID) 18500
Total energy: -312929.0 ( -96.43 by residue)
QMean score : 0.580
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