Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MFEKAILPLALGACLAFAAPAWAEGDSPDNPKPLADDVALPLPCGGEMVFRHVYVLAEGALDDREVNLGYAFNEGEAGYQQSFISGYRRDYVNGQFSLADLAPAWQQKLSASLPKPAAGTPLKPMLYFIGKYEVTARQYAAVMSQAAALSGQGEAPACDVPDGMAARLPKVNLSRFDAERFGAVYSAWLLKNHPELLPVSGRGKNPEDGGIGFVRLPTEVEWEFAARGGQAVSRQELEGRLFP--RKVEGSDQEGP---LGDWAVYNQVAGGTGQAARLLPVGMKRPNPLGLFDVIGNAAEMVQESFQLVHAGRR----QGTYGGF--VVKGGNYLEGEMTLFTGMRREYPLFAADGSEQRNETTGFRVAIGALSAPRSRYPELFAQWQKEGRLAALTDAIDDAQDPTKQLDGIIAATRDPQMQAQLAQINEELKRNVSLIARQREEAAGNLIQSAALVAETINNYNIRLTNLKKDREKAVAARDQATAQLYAGAIANGRSALDGALAIYIDNLATGTRYTDAVIQAQFQRIQEELNRNPVLGKSLVKRATLFVKHVGDYRQQHRAEPEAVLKELLASSGR |
| 2HIB Chain:X ((139-250)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RLPTEAEWEYSCRGG-------LHNRLFPWGNKLQPKGQHYANIWQGEFPVTNTGEDGFQGTA---PVDAFPPNGYGLYNIVGNAWEWTSDWWTVHHSVEETLNPKGPPSGKDRVKKGGSYMSHRSYCYRYRCAARSQNTPDSSASNLGFRCAADRLP----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2HIB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 22077 for 589 contacts (37.5/contact) +
2D Compatibility (PS) -11021 + (NN) -4814 + (LL) 28900
1D Compatibility (HY) -4400 + (ID) 2050
Total energy: 28692.0 ( 48.71 by residue)
QMean score : 0.023
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