Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKLNMNNEIKKVEQRLEKAIKSKDSVLEQASLHLLSSGGKRVRPAFVILSSQFGKDEQTSEQTYQVAVALELIHMATLVHDDVIDKSDKRRGKLTISKKWDQTTAILTGNFLLALGLEHLM-AVKDNRVHQLISESIVDVCRGELFQFQDQFNSQQTIINYLRRINRKTALLIQISTEVGAITSQSDKETVRKLKMIGHYIGMSFQIIDDVLDFTSTEKKLGKPVGSDLLNGHITLPILLEMRKNP-DFKLKIEQLRRDSERKEFEECIQIIRKSDSIDEAKAVSSKYLSKALNLISELPDGHPKSLLLSLTKKMGSRNT |
3PKO Chain:A ((24-333)) | --------QLTALQDYLLRTVQLDNQPIHHKILALLKSGGKLLRPGYFYLFSTFG-NAATPAQLQAGAAAIEILHVGTLIHDDVIDDSPTRRGVRTIQMTYGQRNAIYAGDFMFTVYFDQVLKSTTDRSLIQNHIDAMHRILQGELHQMDLNYREDITLDAYLNEIAGKTAELFALSCYQGAQLAGAPQSVIDRTRDIGIAIGCAYQMLDDILDYAGDPKRTQKPVLEDLRSGVYSLPLLLSLSHAPRDFH-KLLKKKQAMTLEDIKHVQALVAQYDGVGAAKQLAQDYTDRALTLIQQLPVGSAQQSLEQLTRLLLRRD- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PKO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -97853 for 2557 contacts (-38.3/contact) +
2D Compatibility (PS) -32966 + (NN) -16377 + (LL) 852
1D Compatibility (HY) -22800 + (ID) 4750
Total energy: -173894.0 ( -68.01 by residue)
QMean score : 0.494
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