Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKSLCLSFFLTFSNPLQALVIELLEEIKTSPHKGTFKAKVLDSKEPRQVLGVYNISPHKKLTLTITHISTAIVYQPLDEKLSLETTLSPNRPTIPRNTQIVFSSKELKEPHSNPIPSLNAPMQKPQNKPSSSQQSPQNFSYPESKLGSKNSKNSLLQPLVTPSKVSPTNEVKTPTNDANPPLKHSSQDQENNLFVAPPTEKTLPNNTSSADASENNESNENRDNVEKQAIRDP--NIKEFACGKWVYDDENLQAYRPSILKRVDKDKEITTDITPCDYSTAENKSGKIITPYTKISVHKTEPLEDPQTFEAKNNFAILQARSSTEKCKRARARKDGTTRQCYLIEEPLKQAWESEYEITTQLVKAIYERPKQDDQVEPTFYETSELAYSSTRKSEITRNELNLNEKFMEFVEVYEGHYLNDIIKESSEYKEWVKNHVRFKEGVCMALEIEEQPRAKSTPLSIENSRVVCVKKGNYLFNEV |
3DWB Chain:A ((20-35)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DPCHDFFSYACGGWIKANPVPDGHSRWGTFSNLWEHNQAIIKHLLENSTASVSEAERKAQVYYRACMNETRIEELRAKPLMELIERLGGWNITGPWAKDNFQDTLQVVTAHYRTSPFFSVYVSADSKNSNSNVIQVDQSGLGLPSRDYYLNKTENEKVLTGYLNYMVQLGKLLGGGDEEAIRPQMQQILDFETALANITIPQEKRRDEELIYHKVTAAELQTLAPAINWLPFLNTIFYPVEINESEPIV |
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General information:
TITO was launched using:
| RESULT:
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Template: 3DWB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -2062 for 51 contacts (-40.4/contact) +
2D Compatibility (PS) -1425 + (NN) -195 + (LL) 10560
1D Compatibility (HY) -1600 + (ID) 300
Total energy: 4978.0 ( 97.61 by residue)
QMean score : -0.238
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