Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MHK--HHLSKK---LFFAGLVLFIIGAIGVAFTMNTGKMIEK----GEPLTKQWDLSTENIKKIAFSSERDASIEWKESTTGKN---YIELKGNYSANDKKAIQQLEPVSEDGTSFDITVPEEDDWYNGFGKIYAYGKQKVTIYLTKDTKLADLEVKSHSGDIDVADFK---------VKKFVSSTNSGELKVTNLEA------------NTAQMATSSGDLTLSNIKANSSIETDSG-----KTELTNLTGDLEVNGGSGDVNVAGVKAKKLKIA--------IDSGDIELTSGTVTDLAVLTTSSGDIDANTKGKIQAESDSGSIELAGATNNVTAKTSSGDIDVAFTKQVKNIEIN----------------SDSGEVELELPGDFKAIYEASSNSGSVKAPTSDSNTDNRVTVKTSSGDIKIEK------ |
1UYP Chain:A ((1-432)) | LFKPNYHFFPITGWMNDPNGLIFWKGKYHMFYQYNPRKPEWGNICWGHAVSD--DLVHWRHLPVALYPDDETHGVFSGSAVEKDGKMFLVYTYYRDPTHNKGEKETQCVVMSENGLDFVKYDGNPVISKPPEEGTHAFRDPKVNRSNGEWRMVLGSGKDEKIGRVLLYTSDDLFHWKYEGAIFEDETTKEIECPDLVRIGEKDILIYSITSTNSVLFSMGELKEGKLNVEKRGLLDHGTDFYAAQTFFGTDRVVVIGWLQSWLRTGLYPTKREGWNGVMSLPRELYVENNELKVKPVDELLALRKRKVFETAKSGTFLLDVKENSYEIVCEFSGEIELRMGNESEEVVITKSRDELIVDTTRSGVSGGEVRKSTVEDEATNRIRAFLDSCSVEFFFNDSIAFSFRIHPENVYNILSVKSNQVKLEVFELENIWL |
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General information:
TITO was launched using:
| RESULT:
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Template: 1UYP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 100861 for 2744 contacts (36.8/contact) +
2D Compatibility (PS) -37205 + (NN) 6266 + (LL) 276
1D Compatibility (HY) -9200 + (ID) 2100
Total energy: 58898.0 ( 21.46 by residue)
QMean score : 0.114
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