Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQKIQVENGVLKTPNNPVIPFIEGDGTGPDIWAAAKRVLDAAVKKAYNGEKEIAWKEVLAGEKAFKQTGEWLPQATLDTID-EYLIAIKGPLTTPIGG--GIRSLNVALRQELDLYVCLRPVRYFKGVPSPVKRPEDTDMVIFRENTEDIYAGIEFKEGSIESKKLIDFLKSEFGVDKIRFPETSGIGIKPISKEGTERLVRSAIEYAIKE------------GRKSLTLVHKGNIMKFTEGAFKNWGYDLCE--REYGDKVFTWNEYDRIKEAEGTEVADAKQNEALAAGKILVKDSIADIFLQQILTRPAEFDVVATMNLNGDYISDALAAQVGGIGIAPGANINYLTGHAIFEATHGTAPKYAGLDKVNPSSVILSGTLLLEHIGWGEAAALINQSMEKTIAAK-TVTYDFARLMDGATEVKCSEFADELIKNF |
3TY4 Chain:A ((9-364)) | ---------------RRIVLGLIPADGIGKEVVPAARRLMENLPAKH--K-LKFDFIDLDAGWGTFERTGKALPERTVERLKTECNAALFGAVQSPTHKVAGYSSPIVALRKKMGLYANVRPVKSLDGAK-----GKPVDLVIVRENTECLYVKEERMVQNT-------------------PGKRVAEAIRRISEEASTKIGKMAFEIAKSRQKIRESGTYSIHKKPLVTIIHKSNVMSVTDGLFRESCRHAQSLDPSYAS--------------------------------INVDEQIVDSMVYRLFREPECFDVVVAPNLYGDILSDGAASLIGSLGLVPSANVG--DNFVMSEPVHGSAPDIAGRGIANPVATFRSVALMLEFMGHQDAAADIYTAVDKVLTEGKVLTPDLGGK------SGTNEITDAVLANI |
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General information:
TITO was launched using:
| RESULT:
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Template: 3TY4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -162417 for 2939 contacts (-55.3/contact) +
2D Compatibility (PS) -36616 + (NN) -8779 + (LL) 5760
1D Compatibility (HY) -16800 + (ID) 5200
Total energy: -224052.0 ( -76.23 by residue)
QMean score : 0.627
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