Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKIIINGGKQLTGEVAVSGAKNSVVALIPATILADD-IVVLDGVPAISDVDSLVDIMETMGAKIKRYGETLEIDPRGVKDIPMPYGKINSLRASYYFYGSLLGRYGQATVGLPGGCDLGPRPIDLHLKAFEAMGASVSYEGDSMRLATNGKPLQGANIYMDTVSVGATINTMIAAAKANGRTVIENAAREPEIIDVATLLNNMGAHIRGAGTDVITIEGVKSLHGTRHQVIPDRIEAGTYIAMAAAIGRGIKVTNVLYEHLESFIAKLDEMGVRMTVEEDSIFVEEQEKLKAVSIKTSPYPGFATDLQQPLTPLLLTAEGNGSLLDTIYEKRVNHVPELARMGANISTLGGKIVYSGPNQLSGAPVKATDLRAGAALVIAGLMAEGRTEITNIEFILRGYSNIIEKLTSLGADIQLVEE |
3SG1 Chain:A ((25-441)) | MEKIIVRGGKRLNGTVRVEGAKNAVLPIIAAALLASDGKNVLSEVPVLSDVYTINEVLRHLNAEVVFENNQVTIDASKELNIEAPFEYVRKMRASVQVMGPLLARNGRARIALPGGCAIGSRPIDQHLKGFEAMGAKVQVGNGFVEAYVEGE-LKGAKIYLDFPSVGATENIMSAATLAKGTTILENAAKEPEIVDLANFLNAMGAKVRGAGTGTIRIEGVDKLYGANHSIIPDRIEAGTFMVAAAITGGDILIENAVPEHLRSITAKMEEMGVKIIEENEGVRVIGPDKLKAVDIKTMPHPGFPTDMQSQMMALLLQADGTSMITETVFENRFMHVEEFRRMNADIKIEGRSVIMNGPNSLQGAEVGATDLRAAAALILAGLVSEGYTRVTELKHLDRGYVDFHKKLAALGATIERVNE |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SG1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -305188 for 3992 contacts (-76.4/contact) +
2D Compatibility (PS) -44372 + (NN) -13094 + (LL) -140
1D Compatibility (HY) -35600 + (ID) 9950
Total energy: -408344.0 ( -102.29 by residue)
QMean score : 0.528
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