Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEDELKTPYLDQYTDNLTAKVTKKSDDYQVYGRNKEVQSVIISLLRRTKNNPILVGEAGVGKSAIVEGITLAILRGQVPEPLKGLTVRSLELSSLMSEDDEGFIAKFKKIIEEMVATRGHNLLFVDEFHTIIGAGSQNGQALDAGNVIKPVLARGDIQLIGATTLDEFHEYIETDRALERRMQPVMVEEPTISQAITIIEQAKVIYEKFHGIQISSDAVHQAIRLSVRYLTDRFLPDKAFDLIDEAATIASVEGKS------KVTEKDIAQVLKDKTGIPVTTILKGDQERLEGFKERLMNRVKGQEDAIEAVVDAVTIAQAGLQNEKRPLASFLFLGPTGVGKTELAKAIAEALFDDEAAMIRFDMSEYKQKEDVTKLIGNRATRIKGQLTEGVKQKPYCVLLLDEIEKAHSEVMDLFLQVLDDGRLTDSSGRLISFKNTIVIMTTNIGAKKIINKWELKGNFKDLTDRDRKQFEKSMDSELQNEFRPEFLNRIENKLIFNLLERDVIEKIAEKNLSEIADRMKRQNLTLSYEPSLIQYLSDVGTDVKNGARPLERLMKRKVLAPISVKSLQLDKSKQGYNVHLWVEGRAPDGNHRQEQRQIHMEIEGERDNFFS |
4CIU Chain:A ((372-688)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EAAT--QLEGKTMRLLRNKVTDAEIAEVLARWTGIPVSRMMESEREKLLRMEQELHHRVIGQNEAVDAVSNAIRRSRAGLADPNRPIGSFLFLGPTGVGKTELCKALANFMFDSDEAMVRIDMSEFMEKHSVSRLVGA-----GGYLTEAVRRRPYSVILLDAVEKAHPDVFNILLQVLDDGRLTDGQGRTVDFRNTVVIMTSNLGSDLIQER------F--L---DYAHMKELVLGVVSHNFRPEFINRIDEVVVFHPLGEQHIASIAQIQLKRLYKRLEERGYEIHISDEALKLLSENGYDPVYGARPLKRAIQQQIENPLAQQILSGELVPGKVIRLEVNEDRIVAVQH-------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4CIU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -140334 for 2262 contacts (-62.0/contact) +
2D Compatibility (PS) -32899 + (NN) -15000 + (LL) 21264
1D Compatibility (HY) -29600 + (ID) 6700
Total energy: -203269.0 ( -89.86 by residue)
QMean score : 0.586
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