Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQEILIPLKEKSYKVFLGELPEIKLKQKALIISDSIVAGLHLPYLLERLNALEVRVCVIESGEKYKNFHSLERILNNAFEMQLNRHSLMIALGGGVISDMVGFASSIYFRGIDFINIPTTLLAQVDASVGGKTGINTPYGKNLIGSFHQPKAVYMDLAFLKTLEKREFQAGVAEIIKMAVCFDKNLVERLETKDLKD--------CLEEVIFQSVNIKAQVVVQDEKERNIRAGLNYGHTFGMLIENETNYERFLHGEAIAIGMRMANDLALSLGMLTLKEYERIENLLK---KFDLIFNYQITDIQKFYERLFLDKKSENQTLKFILPKGVGAFEIASHIPKETILKVLEKWH |
1XAH Chain:A ((59-348)) | -----------------------------------------------------VHKVIIPAGEKTKTFEQYQETLEYILSHHVTRNTAIIAVGGGATGDFAGFVAATLLRGVHFIQVPTTILAH-DSSVGGKVGINSKQGKNLIGAFYRPTAVIYDLDFLKTLPFKQILSGYAEVYKHALLNGESATQDIE-QHFKDREILQSLNGMDKYIAKGIETKLDIVVADEKEQGVRKFLNLGHTFGHAVE---YYHKIPHGHAVMVGIIYQFIVANALFDSKHDISHYIQYLIQLGYPLD--------------------------GVQMVLMRQFGDI-VVQHVDQLTLQHACEQLK |
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General information:
TITO was launched using:
| RESULT:
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Template: 1XAH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -133036 for 2016 contacts (-66.0/contact) +
2D Compatibility (PS) -27294 + (NN) -4756 + (LL) 7780
1D Compatibility (HY) -19600 + (ID) 4600
Total energy: -181506.0 ( -90.03 by residue)
QMean score : 0.446
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