Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPPKRNEKYKLPIPFPEGKVLDDMEGNQWVLGKKIGSGGFGLIYLAFPTNKPEKDARHVVKVEYQENGPLFSELKFYQRVAKKDCIKKWIERKQLDYLGIPLFYGSGLTEFKGRSYRFMVMERLGIDLQKI-SGQNGTFKKSTVLQLGIRMLDVLEYIHENEYVHGDIKAANLLLGY-KNPDQVYLADYGLS--YRYCPNGNHKQYQENPRKGHNGTIEFTSLDAHKGVALSRRSDVEILGYCMLRWLCGKLPWEQNLKDPVAVQTAKTNLLDE----LPQSVL-KWAPSGSSCCEIAQFLVCAHSLAYDEKPNYQALKKILNPHGIPLGPLDFSTKGQSINVHTPNSQKVDSQKAATKQVNKAHNRLIEKKVHSERSAESCATWKVQKEEKLIGLMNNEAAQESTRRRQKYQESQEPLNEVNSFPQKISYTQFPNSFYEPHQDFTSPDIFKKSRSPSWYKYTSTVSTGITDLESSTGLWPTISQFTLSEETNADVYYYRIIIPVLLMLVFLALFFL |
4TWC Chain:B ((6-273)) | -------------------------GNRYRLGNKIGSGSFGDIYLGTDIAAGEEVAIKLECVK-TKHPQLHIESKIYKMMQGG--------------VGIPTIRWCGAEG----DYNVMVMELLGPSLEDLFNFCSRKFSLKTVLLLADQMISRIEYIHSKNFIHRDVKPDNFLMGLGKKGNLVYIIDFGLAKKYRDARTHQHIPYREN--KNLTGTARYASINTHLGIEQSRRDDLESLGYVLMYFNLGSLPW-QGLK--A---RQKYERISEKKMSTPIEVLCKGYPS-----EFATYLNFCRSLRFDDKPDYSYLRQLFRNLFHRQGFSYDYVFDWNMLKF----------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4TWC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -107452 for 1972 contacts (-54.5/contact) +
2D Compatibility (PS) -27790 + (NN) -17620 + (LL) 11488
1D Compatibility (HY) -20400 + (ID) 5000
Total energy: -166774.0 ( -84.57 by residue)
QMean score : 0.502
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