Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSNPQYPTRLPCGSRVLDL-ARPHVMGILNVTPDSFSDGGRYDRLDDALRHAERMVLEGATLIDVGGESTRPGARSVSPTEELERVAPVVERIARELDVVISVDTSTPAVMRETARLGAGLINDVRSLQRDGAL-DAAVDSGLAVCLMHMRGEPQTMQDAPAYQDVVAEVGAFLQERVDACVAAGIDRERLLLDPGFGFAKTLEHNLVLFRHLQALHGLGLPLLVGVSRKSMIGKVLGREVDERLYGSLALAALALAKGARIIRVHDVAATVDVMRMISAVEMAD |
| 3H2O Chain:A ((22-291)) | ----KWDYDLRCGEYTLNLNEKTLIMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIG---------KVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNR-------DNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAM---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3H2O.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -197116 for 2186 contacts (-90.2/contact) +
2D Compatibility (PS) -28553 + (NN) -16435 + (LL) 620
1D Compatibility (HY) -21600 + (ID) 5400
Total energy: -268484.0 ( -122.82 by residue)
QMean score : 0.527
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