Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLEKQHIQYFKNLVGGEDFFTDLAHLNAYCYDATKERHLPSGVIFPKNEREISQILKYCNEHRLIVVPRGAGSGFTGGALSVSG-GLVLSVE-KHLDKILEIDTKNLIARVEPGVINKHFQNEVEKLDLFYPPDPASENQSTLGGNVAENAGGMRAAKYGITKDYVMALRVVLANGEI-IRAGKKTIKDVAGFNIAGLMIASEGCLGVISEITLKLLAKPPLKQSAMGVFNHIEDAMNAVYKTMSSGVTPVAMEFLDNLSIKAVEERFSKGLPKDAGAILITQVDGVVKEQIAWQLNEIEKHFKANGCVGFKIAQNEQEEQDLWFSRRNASQSIS-------------VYGKKKLN-----------------EDVTVPRASLPSLLQEVAKISQKYGFK---IPCF-----GHTGDGNVHVNIML---EDPKRDLEKGHKAMEEIFQAAISLEGTLSGEHGIGLSKAKFMPLAFNHSEMELFRNIKKALDPNNILNPFKMGL |
2UUU Chain:A ((135-583)) | ------------------------------------KNAPDLIVLPHSHEEVERLVQLAHKYNVVIIPMGGGSNIVGAIEPVSNERFTVSIDMRRMNKVLWVDRREMTACIQVGIMGPELEKQLHKQGVSLGHDPDSFEFSTLGGWLATCSSGHQSDKYGDIEDMAVSFRTVTPTGTLELR----------GINYKHIILGSEGTLGIITEAVMKVHAVPQAVEYYGFLFPTFAHAVSALQQIRSSEVIPTMIRVYD-----PEETQLSFAWKPSKGA-----VSEFTSAMVKKYLHYIRSFDFKNVCLSIIGFEGPKKVVD--FHRTSVFDILSKNAAFGLGSAPGKTWAEKRYDLPYIRDFLLDHNMWVDVAETTVSYANLQTLWKDAKQTFVKH-FKDQGIPAWICAHISHTYTNGVCLYFIFASKQNENKDMAQYIEAKKLMTDIIFKYGGSLS------------------RGWINVYRSLKETIDPKDICNPRKL-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2UUU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -104394 for 2889 contacts (-36.1/contact) +
2D Compatibility (PS) -41655 + (NN) -17415 + (LL) 5436
1D Compatibility (HY) -24400 + (ID) 4750
Total energy: -187178.0 ( -64.79 by residue)
QMean score : 0.381
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