Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQKIQVENGVLKTPNNPVIPFIEGDGTGPDIWAAAKRVLDAAVKKAYNGEKEIAWKEVLAGEKAFKQ-TGEWLPQATLDTIDEYLIAIKGPLTTPIGGGIRSLNVALRQELDLYVCLRPVRYFKGVPSPVKRPEDTDMVIFRENTEDIYAGIEFKEGSIESKKLIDFLKSEFGVDKIRFPETSGIGIKPISKEGTERLVRSAIEYAIKEGRKSLTLVHKGNIMKFTEGAFKNWGYDLCEREYGDKVFTWNEYDRIKEAEGTEVADAKQNEALAAGKILVKDSIADIFLQQILTRPAEFDVVATMNLNGDYISDALAAQVGGIGIAPGANINYLTGHAIFEATHGTAPKYAGLDKVNPSSVILSGTLLLEHIGWGEAAALINQSMEKTI-AAKTVTYDFARLMDGATEVKCSEFADELIKNF |
2D1C Chain:B ((21-355)) | ------------------LITVIPGDGIGPECVEATLKVLEAA-------KAPLAYEVREAGASVFRRGIASGVPQETIESIRKTRVVLKGPLETPVGYGEKSANVTLRKLFETYANVRPVREFPNVPTPYAG-RGIDLVVVRENVEDLYAGIEHMQTPSVAQTL-----------------------KLISWKGSEKIVRFAFELARAEGRKKVHCATKSNIMKLAEGTLKR-AFEQVAQEYPD---------------------------IEAVHIIVDNAA-----HQLVKRPEQFEVIVTTNMNGDILSDLTSGLIGGLGFAPSANIGNEV--AIFEAVHGSAPKYAGKNVINPTAVLLSAVMMLRYLEEFATADLIENALLYTLEEGRVLTGDVVGYDRGA---KTTEYTEAIIQNL |
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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) -139685 for 2980 contacts (-46.9/contact) +
2D Compatibility (PS) -35939 + (NN) -9814 + (LL) 5196
1D Compatibility (HY) -24400 + (ID) 6700
Total energy: -211342.0 ( -70.92 by residue)
QMean score : 0.695
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