Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTAEKITQGTEGLNVPN--EPIIPFIIGDGIGPDIWKAASRVIDAAVEKAYNGEKRIEWKEVLAGQKAFDT-TGEWLPQETLDTIKEYLIAVKGPLTTPIGGGIRSLNVALRQELDLFTCLRPVRWFKGVPSPVKRPQDVDMVIFRENTEDIYAGIEFKEGTTEVKKVIDFLQNEMGATNIRFPETSGIGIKPVSKEGTERLVRAAIQYAIDNNRKSVTLVHKGNIMKFTEGSFKQWGYDLALSEFGDQVFTWQQYDEIVENEGRDAANAAQEKAEKEGKIIIKDSIADIFLQQILTRPAEHDVVATMNLNGDYISDALAAQVGGIGIAPGANINYETGHAIFEATHGTAPKYAGLNKVNPSSVILSSVLMLEHLGWQEAADKITDSIEDTIASKV-VTYDFARLMDGAEEVSTSAFADELIKNLK |
2D1C Chain:A ((8-356)) | --------TGKKMHVLEDGRKLITVIPGDGIGPECVEATLKVLEAAKA-------PLAYEVREAGASVFRRGIASGVPQETIESIRKTRVVLKGPLETPVGYGEKSANVTLRKLFETYANVRPVREFPNVPTPY-AGRGIDLVVVRENVEDLYAGIEHMQTP-----------------------SVAQTLKLISWKGSEKIVRFAFELARAEGRKKVHCATKSNIMKLAEGTLKRAFEQVA-QEYPD--------------------------------IEAVHIIVDNAAHQLVKRPEQFEVIVTTNMNGDILSDLTSGLIGGLGFAPSANIG--NEVAIFEAVHGSAPKYAGKNVINPTAVLLSAVMMLRYLEEFATADLIENALLYTLEEGRVLTGDVVGYD---RGAKTTEYTEAIIQNLG |
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General information:
TITO was launched using:
| RESULT:
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Template: 2D1C.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -156090 for 3080 contacts (-50.7/contact) +
2D Compatibility (PS) -37647 + (NN) -10807 + (LL) 5776
1D Compatibility (HY) -22400 + (ID) 6550
Total energy: -227718.0 ( -73.93 by residue)
QMean score : 0.515
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