Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSSILTDFEPKFLSSDDLLNLYAEYCNGHYCDFKYKQRRLSDGNIQSHLYFKKDHFIHDYNGIETFKRFIAVKAYDVDNITSLALSNLLCEKFNLDILLTIEAMD---KERALFFIRERKKRSKDISYQNIEYLEQMVSTDRAQIQKVSLSIMVFANSKKELDKKSIIVYNTLKKEGFSAVLESINMRPIFFSF---FPERNFLNSRLRPQTSQNIASLIMFEKYQEGFKENSWG-DCPVSVFKNQNGSAHFFNFQAKQGKDKNDNVVGHTMIIGSTGSGKSTFISFLIANLLTKYDMSVVALDRMNGLEIMTDFFEGQYNTANTDGGFYINPFSLKDSEENRQFLANWIKFMLNIDSDNQQDNKASQSIDKVIRDTYNYMGDQKNQINLLEIAKNLGSSEQDFNEILKSQGEKIYFKNFQDCL----DFSNSPLSVINMDAFANDKKLMGLIAM-------YLFHKLFFEAKEHNKPFFYSLMKLKTTLCIL |
3AFV Chain:A ((4-442)) | -----TILPLNNIQGDILVGMKKQ--KERFVFFQVNDATSFKTALKTYVPER----------ITSAAILISDPSQQPLAFVNLGFSNTGLQALGITDDLGDAQFPDGQFADAANLGDDLSQWVAPFTGTTIHGVFLIGSDQDDFLDQFTDDISSTFGSS---------ITQVQALSGSARPGDQAGHEHFGFLDGISQPSVTGWETTVFPGQAVVPPGIILTGRDGDTGTRPSWALDGSFMAFRHFQQKVPEFNAYTLANAIP---------ANSAGNLTQQEGAEFLGARMFGRWK---------SGAPIDLAPTADDPALGADPQRNNNFDYSDTLTDETRCPFGAHVRKT-----NPRQDLGGPVDTFHAMRSSIPY----GPETSDAELASGVTAQDRGLLFVEYQSIIGNGFRFQQINWANNANFPFSKPITPGIEPIIGQTTPRTVGGLDPLNQNETFTVPLFVIPKGGEYFFLPSISALTATIAA- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AFV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -250 for 3673 contacts (-0.1/contact) +
2D Compatibility (PS) -42445 + (NN) 8459 + (LL) 3480
1D Compatibility (HY) 3600 + (ID) 2550
Total energy: -29706.0 ( -8.09 by residue)
QMean score : 0.104
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