Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSHRLLGRVMLLLGALGVILTMSFSYVAAAEKPNIDKPVKGLEQTEKAIVADDYNKAKDAFQEDKLWWSENKQVVKEKSYDLAGQIDRQIAEISLGILNNDKQQAMDGITSLHNLLKTYQDGTYTDNEGNTNITLSSYIAKLTATKKLVDEKEWAKAATQIQDLKTEWLAVEGDVVSQSQAAYDNTERDLMLLDAYINDPA--KQAKTADVLDGMTEELKPFADVTYTWFD-AALIPFREGLEALLIIATL------LTYTKRTKTRTAKRWIIGGTAAGLVVSLALGMIVAFWLSALAFGDNNNLINGWAGLIASIMMLYVSYWLHRNSDITRWNNYMEGKSNQALSNGKMISFAFLAFLAILREGLETVVFLIGMVGRMSNFELLMGILAGLGVLLIIAFVMLRYSVHIPVKPFFMISSAIVFYLCFKFMGSGIHSLQLAGVIPTSVEDYLPSIPALSIYPSWYSFLPQVLLVIFGLTILIKQQIKKKS |
4J0K Chain:A ((268-441)) | -------------------------------------------------------------------------------------------------------------TYLNQLKLTASDGTH--------LTLNE--AGMGSFRDVVRQLLISSAQTAF-DQGTDIHKYAGFVVTGNQV----TDLDL---SAYLKSLTRMKAVPAFDQLDLTSPENNLFGDATAKAKHFTALAQTRSTVTAQLADAELIQAINPLSYLT--SSQVAKHWRIRHGAADRDTSFAIPIILAIMLENHGYG---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4J0K.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -33660 for 1018 contacts (-33.1/contact) +
2D Compatibility (PS) -16876 + (NN) -2826 + (LL) 25148
1D Compatibility (HY) -5200 + (ID) 2650
Total energy: -36064.0 ( -35.43 by residue)
QMean score : 0.135
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