Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNIHEYQAKEILHKFNVPVPKGFVAMSAEEAETKINQLK-SDVLVVKAQIHAGGRGKAGGVKLAKSAEEAQQFVKGMLGITLVTHQTGPNGQQVRRVYIEEGSSIKKEYYLSIVIDPKLSRPAFIFSSEGGMDIEEVAKNFPTKIVKLDIDYAADFASFDSRKLSNIFNLSPEQIEKITNVAKNIYDTFIATDANQIEINPLVETNSGDFIALDAKISFDDNALYRHPEIVELRDYDEEVKEEIEASKHGLSYIKMDGNIGCMVNGAGLAMATMDIIKYYGAEPANFLDVGGGASKETVTEAFKIILSDSNVKGILVNIFGGIMRCDIIASGIVEAAKGMSIKVPLVVRLSGTNFEKGKRILEESGLNIIAADELDEAAQKIVKEVE |
2NU8 Chain:B ((1-386)) | MNLHEYQAKQLFARYGLPAPVGYACTTPREAEEAASKIGAG-PWVVKCQVHAGGRGKAGGVKVVNSKEDIRAFAENWLGKRLVTYQTDANGQPVNQILVEAATDIAKELYLGAVVDRSSRRVVFMASTEGGVEIEKVAEETPHLIHKVALDPLTGPMPYQGRELAFKLGLEGKLVQQFTKIFMGLATIFLERDLALIEINPLVITKQGDLICLDGKLGADGNALFRQPDLREMRDQSQEDPREAQAAQWELNYVALDGNIGCMVNGAGLAMGTMDIVKLHGGEPANFLDVGGGATKERVTEAFKIILSDDKVKAVLVNIFGGIVRCDLIADGIIGAVAEVGVNVPVVVRLEGNNAELGAKKLADSGLNIIAAKGLTDAAQQVVAAVE |
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General information:
TITO was launched using:
| RESULT:
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Template: 2NU8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -219835 for 3369 contacts (-65.3/contact) +
2D Compatibility (PS) -42585 + (NN) -27750 + (LL) -76
1D Compatibility (HY) -34400 + (ID) 9500
Total energy: -334146.0 ( -99.18 by residue)
QMean score : 0.566
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