Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNGAVFFVIFLKQATCNTYFKEVKIYHLGEMDMKIVALFPEAVEGQENQLLNTKKA-IGLKTFLEERGHEFIILAD-NGED--LDKHLPDMDVIISAPFYPAYMTRERIEKAPNLKLAITAGVGSDHVDLAAASEHNIGVVEVTGSNTVSVAEHAVMDLLILLRNYEEGHRQSVEGEWNLSQVGNHAHELQHKTIGIFGFGRIGQLVAERLAPFNVTLQHYD-----PINQQDHKLSKFVSFDELVSSSDAITIHAPLTPETDNLFDKDVLSRMKKHSYLVNTARGKIVNRDALVEALASEHLQGYAGDVWYPQPAPADHPWRTMPRNAMTVHYSGMTLEAQKRIEDGVKDILERFFNHEPFQDKDIIVASGRIASKSYTAK |
2GSD Chain:A ((40-376)) | ----------------------------------------PKAIDFTPGALLGSVSGELGLRKYLESQGHELVVTSSKDGPDSELEKHLHDAEVIISQPFWPAYLTAERIAKAPKLKLALTAGIGSDHVDLQAAIDNNITVAEVTYCNSNSVAEHVVMMVLGLVRNYIPSHDWARNGGWNIADCVARSYDVEGMHVGTVAAGRIGLRVLRLLAPFDMHLHYTDRHRLPEAVEKELNLTWHATREDMYGACDVVTLNCPLHPETEHMINDETLKLFKRGAYLVNTARGKLCDRDAIVRALESGRLAGYAGDVWFPQPAPNDHPWRTMPHNGMTPHISGTSLSAQTRYAAGTREILECYFEGRPIRDEYLIVQGGGLAG------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2GSD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -171094 for 2640 contacts (-64.8/contact) +
2D Compatibility (PS) -35776 + (NN) -16809 + (LL) 4376
1D Compatibility (HY) -27600 + (ID) 7650
Total energy: -254553.0 ( -96.42 by residue)
QMean score : 0.506
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