Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQKIQVENGVLKTPNNPVIPFIEGDGTGPDIWAAAKRVLDAAVKKAYNGEKEIAWKEVLAGEKAFKQTGEWLPQATLDTIDEYLIAIKGPLTTPIGGGIRSLNVALRQELDLYVCLRPVRYFKGVPSPVKRPEDTDMVIFRENTEDIYAGIEFKEGSIESKKLIDFLKSEFGVDKIRFPETSGIGIKPISKEGTERLVRSAIEYAIKEGRKSLTLVHKGNIMKFTEGAFKNWGYDLCEREYGDKVFTWNEYDRIKEAEGTEVADAKQNEALAAGKILVKDSIADIFLQQILTRPAEFDVVATMNLNGDYISDALAAQVGGIGIAPGANINYLTGHAIFEATHGTAPKYAGLDKVNPSSVILSGTLLLEHIGWGEAAALINQSMEKTIAAKTVTYDFARLMDGATEVKCSEFADELIKNF |
2E5M Chain:A ((10-404)) | --EKIKFDKGKWIVPNKPVILYIEGDGIGPEITNAAIKVINKAVERAYGSSREIKWLEVYAGEKAEKLVNDRFPKETQEMLLKYRVVLKGPLETP------SVNVAIRLMLDLYANIRPVKYIEGLESPLKHPEKVDMIIFRENTDDLYRGIEYPFNSEEAKKIRDFLRKEL---KVEIEDDTGIGIKVMSKYKTQRITRLAIQYAIEHKRKKVTIMHKGNVMKYTEGAFREWAYEVALKEYRDFIVTEEEINQGKPDQ---------------GKIILNDRIADNMFQQIIIRPEEYDIILAPNVNGDYISDAAGALIGNIGMLGGANIGDEGG--MFEAIHGTAPKYAGKNVANPTGIIKAGELMLRWMGWNEAADLIEKAINMAIRDKKVTQDIARFM-GVKALGTKEYADELIK-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2E5M.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -178258 for 3319 contacts (-53.7/contact) +
2D Compatibility (PS) -41929 + (NN) -13639 + (LL) 1484
1D Compatibility (HY) -34000 + (ID) 9700
Total energy: -276042.0 ( -83.17 by residue)
QMean score : 0.723
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