Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEDELKTPYLDQYTDNLTAKVTKKSDDYQVYGRNKEVQSVIISLLRRTKNNPILVGEAGVGKSAIVEGITLAILRGQVPEPLKGLTVRSLELSSLMSEDDEGFIAKFKKIIEEMVATRGHNLLFVDEFHTIIGAGSQNGQALDAGNVIKPVLARGDIQLIGATTLDEFHEYIETDRALERRMQPVMVEEPTISQAITIIEQAKVIYEKFHGIQISSDAVHQAIRLSVRYLTDRFLPDKAFDLIDEAATIASVEGKSKVTEKDIAQVLKDKTGIPVTTILKGDQERLEGFKERLMNRVKGQEDAIEAVVDAVTIAQAGLQNEKRPLASFLFLGPTGVGKTELAKAIAEALFDDEAAMIRFDMSEYKQKEDVTKLIGNRATRIKGQLTEGVKQKPYCVLLLDEIEKAHSEVMDLFLQVLDDGRLTDSSGRLISFKNTIVIMTTNIGAKKIINKWELKGNFKDLTDRDRKQFEKSMDSELQNEFRPEFLNRIENKLIFNLLERDVIEKIAEKNLSEIADRMKRQNLTLSYEPSLIQYLSDVGTDVKNGARPLERLMKRKVLAPISVKSLQLDKSKQGYNVHLWVEGRAPDGNHRQEQRQIHMEIEGERDNFFS |
4LJ4 Chain:A ((5-310)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EVTEEDIAEIVSRWTGIPVSKLLEGE-EKLLRLEEELHKRVVGQDEAIRAVADAIRRARAGLKDPNRPIGSFLFLGPTGVGKTELAKTLAATLFDTEEAMIRIDMTEYMEKHAVSRLIG--------QLTEAVRRRPYSVILFDEIEKAHPDVFNILLQILDDGRLTDSHGRTVDFRNTVIILTSNLGSPLILEGLQKGWPYERIRDEVFKV--------LQQHFRPEFLNRLDEIVVFRPLTKEQIRQIVEIQLSYLRARLAEKRISLELTEAAKDFLAERGYDPVFGARPLRRVIQRELETPLAQKILAGEVKEGDRVQVDVGPAGLVFAVP-------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4LJ4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -129486 for 2235 contacts (-57.9/contact) +
2D Compatibility (PS) -32048 + (NN) -15372 + (LL) 21468
1D Compatibility (HY) -29200 + (ID) 7050
Total energy: -191688.0 ( -85.77 by residue)
QMean score : 0.574
|
|
|