Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTAEKITQ-GTEGLNVPNEPIIPFIIGDGIGPDIWKAASRVIDAAVEKAYNGEKRIEWKEVLAGQKAFDTTGE--WLPQETLDTIKEYLIAVKGPLTTPIGGGIRSLNVALRQELDLFTCLRPVRWFKGVPSPVKRPQDVDMVIFRENTEDIYAGIEFKEGTTEVKKVIDFLQNEMGATNIRFPETSGIGIKPVSKEGTERLVRAAIQYAIDNNRKSVTLVHKGNIMKFTEGSFKQWGYDLALSEFGDQVFTWQQYDEIVENEGRDAANAAQEKAEKEGKIIIKDSIADIFLQQILTRPAEHDVVATMNLNGDYISDALAAQVGGIGIAPGANINYETGHAIFEATHGTAPKYAGLNKVNPSSVILSSVLMLEHLGWQEAADKITDSIEDTIASKVVTYDFARLMDGAEEVSTSAFADELIKNLK |
3DMS Chain:A ((11-419)) | -GGDKITVNKDFSLNVSDQPIIPYIEGDGTGFDITPVMIKVVDAAVEKAYGGKKKIHWMEIYAGEKATKVYGPDVWLPEETLQVLKEYVVSIKGPLTTPV----RSLNVALRQELDLYVCLRPIQYFKGVPSPVREPEKTNMVIFRENSEDIYAGIEWAAESEQAKKVIKFLQEEMGVKKIRFPQTSGIGIKPVSKEGTERLVRKAIQYAIDNDRKSVTLVHKGNIMKFTEGAFRDAGYALAQKEFGAELIDGGPWMKF-------------KNPKTGNEIVVKDSIADAFLQQILLRPAEYDVIATLNLNGDYISDALAAQVGGIGIAPGANLS--DSVAMFEATHGTAPKYAGKDYVNPGSEILSAEMMLRHLGWTEAADVIISAMEKSIKQKRVTYDFARLMEGATQVSCSGFGQVLIENME |
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General information:
TITO was launched using:
| RESULT:
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Template: 3DMS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -167121 for 3391 contacts (-49.3/contact) +
2D Compatibility (PS) -43626 + (NN) -13750 + (LL) 880
1D Compatibility (HY) -42000 + (ID) 12950
Total energy: -278567.0 ( -82.15 by residue)
QMean score : 0.555
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