Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNIHEYQAKEILHKFNVPVPKGFVAMSAEEAETKINQLKSDVLVVKAQIHAGGRGKAGGVKLAKSAEEAQQFVKGMLGITLVTHQTGPNGQQVRRVYIEEGSSIKKEYYLSIVIDPKLSRPAFIFSSEGGMDIEEVAKNFPTKIVKLDIDYAADFASFDSRKLSNIFNLSPEQIEKITNVAKNIYDTFIATDANQIEINPLVETNSGDFIALDAKISFDDNALYRHPEIVELRDYDEEVKEEIEASKHGLSYIKMDGNIGCMVNGAGLAMATMDIIKYYGAEPANFLDVGGGASKETVTEAFKIILSDSNVKGILVNIFGGIMRCDIIASGIVEAAKGMSIKVPLVVRLSGTNFEKGKRILEESGLNIIAADELDEAAQKIVKEVE |
2NU9 Chain:E ((1-385)) | MNLHEYQAKQLFARYGLPAPVGYACTTPREAEEAASKIGAGPWVVKCQVHAGGRGKAGGVKVVNSKEDIRAFAENWLGKRLVTYQTDANGQPVNQILVEAATDIAKELYLGAVVDRSSRRVVFMASTEGGVEIEKVAEETPHLIHKVALDPLTGPMPYQGRELAFKLGLEGKLVQQFTKIFMGLATIFLERDLALIEINPLVITKQGDLICLDGKLGADGNALFRQPDLREMRDQSQEDPREAQAAQWELNYVALDGNIGCMVNGAGLAMGTMDIVKLHGGEPANFLDVGGGATKERVTEAFKIILSDDKVKAVLVNIFGGIVRCDLIADGIIGAVAEVGVNVPVVVRLEGNNAELGAKKLADSGLNIIAAKGLTDAAQQVVAAV- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2NU9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -207497 for 3218 contacts (-64.5/contact) +
2D Compatibility (PS) -42715 + (NN) -25134 + (LL) 104
1D Compatibility (HY) -34400 + (ID) 9450
Total energy: -319092.0 ( -99.16 by residue)
QMean score : 0.577
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