Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEESDMDKAIKETSILEEYSINWTQKLGAGISGPVRVCVKKSTQERFALKILLDRPKARNEVRLHMMCA-THPNIVQIIEVFANSVQFPHESSPRARLLIVMEMMEGGELFHRISQHRHFTEKQASQVTKQIALALRHCHLLNIAHRDLKPENLLFKDNSLDAPVKLCDFGFAKI-DQGDLM-TPQFTPYYVAPQVLEAQRRHQKEKSGIIPTSPTPYTYNKSCDLWSLGVIIYVMLCGYPPFYSKHHSRTIPKDMRRKIMTGSFEFPEEEWSQISEMAKDVVRKLLKVKPEERLTIEGVLDHPWLNSTEALDNVLPSAQLMMDKAVVAGIQQAHAEQLANMRIQDLKVSLKPLHSVNNPILRKRKLLGTKPKDSVYIHDHENGAEDSNVALEKLRDVIAQCILPQAGKGENEDEKLNEVMQEAWKYNRECKLLRDTLQSFSWNGRGFTDKVDRLKLAEIVKQVIEEQTTSHESQ |
2YCS Chain:A ((7-278)) | --------------ALRDEYIMSKT--LGS---GEVKLAFERKTCKKVAIKIISK----NVETEIEILKKLNHPCIIKIKNFFDAEDYY-----------IVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKIL--TSLMRTLCGTPTYLAPEVL---------------VSVGTAGYNRAVDCWSLGVILFICLSGYPPF-SEHRTQVSLKD---QITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWL------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2YCS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -156476 for 1818 contacts (-86.1/contact) +
2D Compatibility (PS) -26680 + (NN) -13930 + (LL) 15736
1D Compatibility (HY) -22000 + (ID) 5100
Total energy: -208450.0 ( -114.66 by residue)
QMean score : 0.519
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