Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKHYQTIIIGAGAAGIGFGSAMQRL---GLTNFLIIEKGHIGESFLRWPR---TTQFITPSFTTNGFGFPDLNAVIPDTSPAFSFEKEHLSGVEYAR-----------YLQLVAAHYNLPIQNE-TSVLSIDKR--DSLFVIKTS---KGDFSADYLIMATGEFQNPNTIDIKGAD--LGMHYGQVDNFHIKSDNPFIIIGGNESACDALTHLVYLGNQVELYTDTFGRKESNPDPSISLSPLTKERLKHIQDHKKEYYSISEGKKAIEIKQIGKQYQVTFDDGSTAESFHKPILSTGFLNTCHLIDGIA-LFEYDKNQLPIVTEDDESTIVNNCFLIGPSLRQRDTIFCYIYKFRQRFVPVINHIAQREGIILDEDTLEFFKENQMYLDNLACCDVNCDC |
1XDI Chain:A ((2-342)) | --VTRIVILGGGPAGYEAALVAATSHPETT-QVTVIDCDGIGGAAVLDDCVPSKTFIASTGLRTELRRAPHLGFH-------------KISLPQIHARVKTLAAAQSADITAQLLSMGVQVIAGRGELIDSTPGLARHRIKATAADGSTSEHEADVVLVATGA--SPRILPSAQPDGERILTWRQLYDLDAL-PDHLIVVGSGVTGAEFVDAYTELGVPVTVVASQDHVLPY-------EDADAALVLEESFAE--RGVRLFKNARAASVTRTGAGVLVTMTDGRT-VEGSHALMTIGSVPNTSGLGLERVGIQLGRGNYLTVDRVSR-TLATGIYAAGDCTGLLPLA----SVAAMQGRIAMYHALGEGVSPIRLRTVAATVFTRPEIAAVGVPQSVIDA |
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General information:
TITO was launched using:
| RESULT:
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Template: 1XDI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -139494 for 2583 contacts (-54.0/contact) +
2D Compatibility (PS) -33085 + (NN) -7217 + (LL) 1512
1D Compatibility (HY) -2800 + (ID) 1950
Total energy: -183034.0 ( -70.86 by residue)
QMean score : 0.371
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