Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTKSVAIIGAGITGLSSAYFLKQQDPNIDVTIFEASNRPGGKIQSYRK-DGYMIELGPESYLGR---KTIMTELAKDIGLEQDIVTNTT-----GQSYIFAKNKLYPIPGGSIMGIPTDIKPFVTT-KLISPLGKLRAGLDLIKKPIQMQDGDISVGAFFRARLGNEVLENLIEPLMGGIYGTDIDKLSLMSTFPNFKEKEEAFGSLIKGMKDEKNKRLKQRQL---YPGAPKGQFKQFKHGLSSFIEALEQDVKNKGVTIRYNTSVDDIITSQ-KQYKIVYSNQQEDVFDGVLVTTPHQVFLNWFGQD-PAF-DYFKTMDSTTVATVVLAFDEKDIENTYDGTGFVIARTSDTDITACTWTSKKWPFTTP-EGKVLIRAYVGKPGDTVVDD----HTDNELVSIVRRDLSQMMTFKGDPEFTIVNRLPKSMPQYHVGHIQQIRQIQAHIKQTYPRLRVTGASFEAVGLPDCITQGKVAAEEVIAEL |
3NKS Chain:A ((2-474)) | -GRTVVVLGGGISGLAASYHLSRAPCPPKVVLVESSERLGGWIRSVRGPNGAIFELGPRGIRPAGALGARTLLLVSELGLDSEVLPVRGDHPAAQNRFLYVGGALHALPT--------GLRG---PSPPFSKPLFWAGLRELTKPR--GKEPDETVHSFAQRRLGPEVASLAMDSLCRGVFAGNSRELSIRSCFPSLFQAEQTHRSILLGLLLG-----QPDSALIRQALAERWSQWSLRGGLEMLPQALETHLTSRGVSVLRGQPVCGLSLQAEGRWKVSL-RDSSLEADHVISAIPASVLSELLPAEAAPLARALSAITAVSVAVVNLQYQGAHLP--VQGFGHLVPSSEDPGVLGIVYDSVAFPEQDGSPPGLRVTVMLGGSWLQTLEASGCVLSQELFQQRAQEAAATQLGLKEMPSHCLVHLHKNCIPQYTLGHWQKLESARQFLTAHRLPLTLAGASYEGVAVNDCIESGRQAAVSVLGTE |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NKS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -194449 for 3848 contacts (-50.5/contact) +
2D Compatibility (PS) -48014 + (NN) -20765 + (LL) 1332
1D Compatibility (HY) -22800 + (ID) 4700
Total energy: -289396.0 ( -75.21 by residue)
QMean score : 0.534
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