Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKRTLVLLITAIFILAACGNHKDDQAGKDNQKHNNSSNQVKEIATDKNVQGDNYRTLLP---FKESQARGLLQDNM-ANSYNGGDFEDGLLNLSKEVFPTDKYLYQDGQFLDKKTINAYLNPKYTKREIDKMSEKDKKDKKANENLGLNPSHEGETNPEKIAEKSPAYLSNILEQDFYGGGDTKGKNIKGMTIGLAMNSVYYYKKEKDGPTFSKKLDDSEVKKQGKQMASEILSRLRENDDLKDIPIHFAIYKQSSEDSITPGEFITQATAEKSQTKLNEWHNINEKSALLPSSTAADY-DENLNNNFKQFNDNLQSYFSNFTQAVGKVKFVDKKPQRLVVDLPIDYYGQAETIGITQYVTEQANKYFDKIDNYEIRIKDGNQ-PRALISKTKDDKEPQVHIYSN |
3IB5 Chain:A ((7-346)) | -----------------------------------------GYQTTGENNSSDYQGIIEDGEYKTSKSRGVGISQNSDNLLNLKSFEAGLTTISKDHFSTKSYIFQEGQYLNKATIQDWLGRKS-----------------SSNPEGLNPSDNGKKEANK---RNPIYVQQIEEQDYMKQNNGK-LELAGMTIGIGMNQKDYYQKEQYGATYSTTISKEKRIEEGKIAAKKVLARVRQKV-GNNVPIVIAMFAQAPNDSLVGGYFYSYTVSKSGTDI-GSWTETNIKSYVLPATEDNKLPNDNDSTSFDNFQKEVKNFFPNISNVTGQGQYKDKTLQGLHITITTQFYSETEITSFTQYVAQAAKSYLPSGIPVDIKINGSDGETQSFVSTTGGNGGYYTHVFG- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IB5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -8452 for 2561 contacts (-3.3/contact) +
2D Compatibility (PS) -35109 + (NN) -7433 + (LL) 3880
1D Compatibility (HY) -20000 + (ID) 4850
Total energy: -71964.0 ( -28.10 by residue)
QMean score : 0.372
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