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 |
| 4KBK Chain:D ((20-287)) | -------------------------GNRYRLGRKIG-----DIYLGTDIAAGEEVAIKLEC------PQLHIESKIYKMMQGG--------------VGIPTIRWCGAEG----DYNVMVMELLGPSLEDLFNFCSRKFSLKTVLLLADQMISRIEYIHSKNFIHRDVKPDNFLMGLGKKGNLVYIIDFGLAKKYRDARTHQHIPYREN--KNLTGTARYASINTHLGIEQSRRDDLESLGYVLMYFNLGSLPW-QGLK--AATKRQKYERISEKKMSTPIEVLCKGYPS-----EFATYLNFCRSLRFDDKPDYSYLRQLFRNLFHRQGFSYDYVFDWNML------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4KBK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -112167 for 1839 contacts (-61.0/contact) +
2D Compatibility (PS) -26897 + (NN) -16032 + (LL) 11344
1D Compatibility (HY) -19200 + (ID) 4800
Total energy: -167752.0 ( -91.22 by residue)
QMean score : 0.440
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