Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRFLPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQG-FNLKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVLQGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKGVSF-PTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST |
| 3AQV Chain:A ((13-265)) | ---------YVLGDTLGVGTFGKVKIGEHQLTGHKVAVKILNRQKIRSLDVVGKIKREIQNLKLFRHPHIIKLYQVI-STPTDFFMVMEYVSGGELFDYICKHGRVEEMEARRLFQQILSAVDYCHRHMVVHRDLKPENVLLDAHMNAKIADFGLSNMM--SDGEFL------PNYAAPEVISGRLYAGPEVDIWSCGVILYALLCGTLPFDDEHVPTLFKKIRGGVFYIPEYLNRSV--ATLLMHMLQVDPLKRATIKDIREHEWFKQD |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AQV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -147547 for 1916 contacts (-77.0/contact) +
2D Compatibility (PS) -25931 + (NN) -7486 + (LL) 608
1D Compatibility (HY) -26000 + (ID) 4550
Total energy: -210906.0 ( -110.08 by residue)
QMean score : 0.431
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