Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQPMTARFDLFVVGSGFFGLTIAERVATQLDKRVLVLERRPHIGGNAYSEAEPQTGIEVHKYGAHLFHTSNKRVWDYVRQFTDFTDYRHRVFAMHNGQAYQFPMGLGLVSQFFGKYFTPEQARQLIAEQAAEIDTADAQNLEEKAISLIGRPLYEAFVKGYTAKQWQTDPKELPAANITRLPVRYTFDNRYFSDTYEGLPTDGYTAWLQNMAADHRIEVRLNTDWFDVRGQLRPGSPAAPVVYTGPLDRYFDYAEGRLGWRTLDFEVEVLPIGDFQGTAVMNYNDLDVPYTRIHEFRHFHPERD--YPTDKTVIMREYSRFAEDDDEPYYPINTEADRALLATYRARAKSETASSKVLFGGRLGTYQYLDMHMAIASALNMYDNVLAPHLRDGVPLLQDGA |
4XGK Chain:B ((5-388)) | -------FDLIVVGSGLFGLTVAERAASQLGKKVLIVEKRSHLGGNAYSEAEPETGIEIHKYGAHLFHTSNKRVWDYVNQFTAFTGYQHRVFAMHNGTAYQFPMGLGLINQFFGRYYTPDEARELIKEQSAEIDSKDATNLEEKAISLIGRPLYEAFIRDYTAKQWQTDPKELPAGNITRLPVRYNFDNRYFNDTYEGLPVDGYAQWLSNMADHENIEVRLDTDWFEVREDLRAQNPEAPVVYTGPLDRYFDYSEGHLGWRTLDFETEVLNTGDFQGTPVMNYNDAEFPYTRIHEFRHFHPEREDRHPKDKTVIMKEYSRFAEEGDEPYYPINTPSDREMLFKYRELADAETESGKVYFGGRLGTYQYLDMHMAIASALSMFDNKLVDALK---------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4XGK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -193912 for 3144 contacts (-61.7/contact) +
2D Compatibility (PS) -40836 + (NN) -17894 + (LL) 864
1D Compatibility (HY) -46800 + (ID) 14700
Total energy: -313278.0 ( -99.64 by residue)
QMean score : 0.532
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