Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --MSK-TYHFIGIKGSGMSALALMLHQMGHNVQGSDVDKY-YFTQRGLEQAGVTILPFSPNNISEDLE----IIAGNAFRPDNN-EELAYVIEKGYHFKRYHEFLGDFMRQFTSLGVAGAHGKTSTTGL-LAHVLKNITDTSFLIGDGTGRGSANA-----NYFVFE-ADEYERHFMPYHPEYSIITNIDFDHPDYFTGLEDVFNAFNDYAK-QVQKGLFIYGEDSKLHEITSKAPIYYYGFEDSNDFIAKDITRTVNGSDFKVFYNQEEIGQFHVPAYG-KHNILNATAVIANLY-I-MGIDMALVAEHLKTFSGVKRR-FTEKIIDDTVIIDDFAHHPTEIIATLDAARQKYPSKEIVAI-FQPHTFTRTIALLDDFAHALSQADSVYLAQI-YGSAREVDNGEVKVEDLAAKIVKH-SDLVTVE-NVSPLLNHDNAVYVFMGAGDIQLYERSFEELLANLTKNTQ |
4BUC Chain:A ((16-448)) | PRGSHMKIGFLGFGKSNRSLLKYLLNHQEAKFFVSEAKTLDGETKKFLEEHSV---EYEEGGHTEKLLDCDVVYVSPGIKPDTSMIELLSS--RGVKLSTELQFFLDNVDPKKVVGITGTDGKSTATALMY-HVLSGRGFKTFLGGN-FGTPAVEALEGEYDYYVLEMSSFQLFWSERPYLSNFLVLNISEDHLDWHSSFKEYVDSKLKPAFLQTEGDLFVYNKHIERLRNLEGVRSRKIPFWTDENFATEK-ELIVRGKKYTLPGNYP---------YQMRENILAVSVL----YMEMFN-ELESFLELLRDFKPLPHRMEYLGQIDGRHFYND--SKATSTHAVLGALSNF---DKVVLIMCG-------IGKKENYSLFVEKASPKLKHLIMFGEISKELAPFVG--KIPHSIVENMEEAFEKAMEVSE---KGDVILLSPGGASFAKRGEHFREIFKRHGGD-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BUC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -154846 for 3205 contacts (-48.3/contact) +
2D Compatibility (PS) -43409 + (NN) -20607 + (LL) 3424
1D Compatibility (HY) -15600 + (ID) 4150
Total energy: -235188.0 ( -73.38 by residue)
QMean score : 0.420
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