Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEDELKTPYLDQYTDNLTAKVTKKSDDYQVYGRNKEVQSVIISLLRRTKNNPILVGEAGVGKSAIVEGITLAILRGQVPEPLKGLTVRSLELSSLMSEDDEGFIAKFKKIIEEMVATRGHNLLFVDEFHTIIGAGSQNGQALDAGNVIKPVLARGDIQLIGATTLDEFHEYIETDRALERRMQPVMVEEPTISQAITIIEQAKVIYEKFHGIQISSDAVHQAIRLSVRYLTDRFLPDKAFDLIDEAATIASVEGKSKVTEKDIAQVLKDKTGIPVTTILKGDQERLEGFKERLMNRVKGQEDAIEAVVDAVTIAQAGLQNEKRPLASFLFLGPTGVGKTELAKAIAEALFDDEAAMIRFDMSEYKQKEDVTKLIGNRATRIKGQLTEGVKQKPYCVLLLDEIEKAHSEVMDLFLQVLDDGRLTDSSGRLISFKNTIVIMTTNIGAKKIINKWELKGNFKDLTDRDRKQFEKSMDSELQNEFRPEFLNRIENKLIFNLLERDVIEKIAEKNLSEIADRMKRQNLTLSYEPSLIQYLSDVGTDVKNGARPLERLMKRKVLAPISVKSLQLDKSKQGYNVHLWVEGRAPDGNHRQEQRQIHMEIEGERDNFFS |
4LJA Chain:A ((5-310)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EVTEEDIAEIVSRWTGIPVSKLLEGE----LRLEEELHKRVVGQDEAIRAVADAIRRARAGLKDPNRPIGSFLFLGPTGVGKTELAKTLAATLFDTEEAMIQIDMTEYMEKHAVSRLIGAPP---GGQLTEAVRRRPYSVILFDEIEKAHPDVFNILLQILDDGRLTDSHGRTVDFRNTVIILTSNLGSPLILEGLQKGWPYERIRDEVFKV--------LQQHFRPEFLNRLDEIVVFRPLTKEQIRQIVEIQLSYLRARLAEKRISLELTEAAKDFLAERGYDPVFGARPLRRVIQRELETPLAQKILAGEVKEGDRVQVDVGPAGLVFAVP-------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4LJA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -119469 for 2223 contacts (-53.7/contact) +
2D Compatibility (PS) -32146 + (NN) -13423 + (LL) 21792
1D Compatibility (HY) -28800 + (ID) 6900
Total energy: -178946.0 ( -80.50 by residue)
QMean score : 0.544
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