Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEDELKTPYLDQYTDNLTAKVTKKSDDYQVYGRNKEVQSVIISLLRRTKNNPILVGEAGVGKSAIVEGITLAILRGQVPEPLKGLTVRSLELSSLMSEDDEGFIAKFKKIIEEMVATRGHNLLFVDEFHTIIGAGSQNGQALDAGNVIKPVLARGDIQLIGATTLDEFHEYIETDRALERRMQPVMVEEPTISQAITIIEQAKVIYEKFHGIQISSDAVHQAIRLSVRYLTDRFLPDKAFDLIDEAATIASVEGKSKVTEKDIAQVLKDKTGIPVTTILKGDQERLEGFKERLMNRVKGQEDAIEAVVDAVTIAQAGLQNEKRPLASFLFLGPTGVGKTELAKAIAEALFDDEAAMIRFDMSEYKQKEDVTKLIGNRATRI----KGQLTEGVKQKPYCVLLLDEIEKAHSEVMDLFLQVLDDGRLTDSSGRLISFKNTIVIMTTNIGAKKIINKWELKGNFKDLTDRDRKQFEKSMDSELQNEFRPEFLNRIENKLIFNLLERDVIEKIAEKNLSEIADRMKRQNLTLSYEPSLIQYLSDVGTDVKNGARPLERLMKRKVLAPISVKSLQLDKSKQGYNVHLWVEGRAPDGNHRQEQRQIHMEIEGERDNFFS |
4FD2 Chain:B ((14-281)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KRVVGQDEAIRAVADAIRRARAGLKDPNRPIGSFLFLGPTGVGKTELAKTLAATLFDTEEAMIRIDMTEYMEKHAVSRLIGAPPGYVGYEEGGQLTEAVRRRPYSVILFDAIEKAHPDVFNILLQILDDGRLTDSHGRTVDFRNTVIILTSNLGSPLILEGLQKGWPYERIRDEVFKV--------LQQHFRPEFLNRLDEIVVFRPLTKEQIRQIVEIQLSYLRARLAEKRISLELTEAAKDFLAERGYDPVFGARPLRRVIQRELETPLAQKILAGEVKEGDRVQVDVGPAGLVFAVPARV----------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4FD2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -113611 for 2018 contacts (-56.3/contact) +
2D Compatibility (PS) -28636 + (NN) -12402 + (LL) 23772
1D Compatibility (HY) -25600 + (ID) 6150
Total energy: -162627.0 ( -80.59 by residue)
QMean score : 0.546
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