Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRILQRALTFEDVLMVPRKSSVLPKDVSLKSRLTKNIGLNIPFISAAMDTVTEHKTAIAMARLGGIGIVHKNMDIQTQVKEITKVKKSESGVINDPIFIHAHRTLADAKVITDNYKISGVPVVDDKGLLIGILTNRDVRFETDLSKKVGDVMTKMPLVTAHVGISLDEASDLMHKHKIEKLPIVDKDNVLKGLITIKDIQKRIEYPEANKDDFGRLRVGAAIGVG--QLDRAEMLVKAGVDALVLDSAHGHSANILHTLEEIKKSLV-VDVIVGNVVTKEATSDLISAGADAVKVGIGPGSICTTRIVAGVGMPQVSAIDNCVEVASKFDIPVIADGGIRYSGDVAKALALGASSVMIGSLLAGTEESPGDFMIYQGRQYKSYRGMGSIGAMTKGSSDRYFQEGVASEKLVPEGIEGRVPYRGKVSDMIFQLVGGVRSSMGYQGAKNILELYQNAEFVEITSAGLKESHVHGVDITKEAPNYYG |
4AVF Chain:A ((2-467)) | LRISQEALTFDDVLLIPGYSEVLPKDVSLKTRLTRGIELNIPLVSAAMDTVTEARLAIAMAQEGGIGIIHKNMGIEQQAAEVRKVKKHET------------------------------------------------------------------------------------------------------------------YPLASKDEQGRLRVGAAVGTGADTGERVAALVAAGVDVVVVDTAHGHSKGVIERVRWVKQTFPDVQVIGGNIATAEAAKALAEAGADAVKVGIGPGSICTTRIVAGVGVPQISAIANVAAALEGTGVPLIADGGIRFSGDLAKAMVAGAYCVMMGSMFAGTEEAPGEIELFQGRSYKS------------------------------------VPYKGALSAIVHQLMGGLRAAMGYTGSADIQQMRTQPQFVRITGA--------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AVF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -181022 for 2740 contacts (-66.1/contact) +
2D Compatibility (PS) -33292 + (NN) -9243 + (LL) 10164
1D Compatibility (HY) -29200 + (ID) 9100
Total energy: -251693.0 ( -91.86 by residue)
QMean score : 0.543
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