Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKLNMNNEIKKVEQRLEKAIKSKDSVLEQASLHLLSSGGKRVRPAFVILSSQFGKDEQTSEQTYQVAVALELIHMATLVHDDVIDKSDKRRGKLTISKKWDQTTAILTGNFLLALGLEHLMAV-KDNRVHQLISESIVDVCRGELFQFQDQFNSQQTIINYLRRINRKTALLIQISTEVGAITSQSDKETVRKLKMIGHYIGMSFQIIDDVLDFTSTEKKLGKPVGSDLLNGHITLPILLEMRKNPDFKLKIEQLRR--DSERKEFEECIQIIRKSDSIDEAKAVSSKYLSKALNLISELPDGHPKSLLLSLTKKMGSRNT |
3PKO Chain:A ((21-333)) | -----VEPQLTALQDYLLRTVQLDNQPIHHKILALLKSGGKLLRPGYFYLFSTFGNAA-TPAQLQAGAAAIEILHVGTLIHDDVIDDSPTRRGVRTIQMTYGQRNAIYAGDFMFTVYFDQVLKSTTDRSLIQNHIDAMHRILQGELHQMDLNYREDITLDAYLNEIAGKTAELFALSCYQGAQLAGAPQSVIDRTRDIGIAIGCAYQMLDDILDYAGDPKRTQKPVLEDLRSGVYSLPLLLSLSHAPR--DFHKLLKKKQAMTLEDIKHVQALVAQYDGVGAAKQLAQDYTDRALTLIQQLPVGSAQQSLEQLTRLLLRRD- |
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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) -101598 for 2573 contacts (-39.5/contact) +
2D Compatibility (PS) -33328 + (NN) -17000 + (LL) 880
1D Compatibility (HY) -22400 + (ID) 4650
Total energy: -178096.0 ( -69.22 by residue)
QMean score : 0.470
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