Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQNPIEIKAKTLEEALIQASIALNCPIINLQYEVIQMPSKGFLNIGKKEAIILVGVKESVKEVKEESVKEIHQNAEEKQSLGIKTPQEEIITPKPPKKTPKEESHNGDKLHEIKQELKDLFSHLPYKINKVEVSLYEPGVLLIDIDGEDSALLIGEKGYRYKALSYLLF--NWIHPAYGYSIHLEISTFLQNQEKVMEAQLQSTIMTVHEVGKGQMKAPDGVLTYIALKKLRKAFPNKYVSIKTNLNDEKYIVINDFNNE |
4IKH Chain:A ((79-133)) | ----------------------------------------------------------------------------------------------------------------------------PHGPGDQPLALFESGAILIYLADKSGQLLAQESAARYETIQWLMFQMGGIGPMFGQVGFFNKFAGREYEDKRPLERYVNEAKRLLGVLDKHLGGREWIMGERYTIADIATFPWIRNLIGFYEAGELVGIDNFPEVK |
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General information:
TITO was launched using:
| RESULT:
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Template: 4IKH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -14876 for 239 contacts (-62.2/contact) +
2D Compatibility (PS) -5519 + (NN) -422 + (LL) 9400
1D Compatibility (HY) -4000 + (ID) 800
Total energy: -16217.0 ( -67.85 by residue)
QMean score : -0.145
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