Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MELENIVANSLLLKARQGGYGKKSGRSKKWKEILTLPPVSQCSELRHSIEKDYSSLCDKQPIGRRLFRQFCDTKPTLKRHIEFLDAVAEYEVADDEDRSDCGLSILDRFFNDKLAAPLPEIPPDVVTECRLGLKEENPSKKAFEECTRVAHNYLRGEPFEEYQESSYFSQFLQWKWLERQPVTKNTFRHYRVLGKGGFGEVCACQVRA-----TGKMYACKKLQKKRIKKRKGEAMALNEKRILEKVQSRFVVSLAYAYETKDALCLVLTIMNGGDLKFHIYNLGNPGFDEQRAVFYAAELCCGLEDLQRERIVYRDLKPENILLDDRGHIRISDLGLATEIPEGQRVRGRVGTVGYMAPEVVNNEKYTFSPDWWGLGCLIYEMIQGHSPFKKYKEKVKWEEVDQRIKNDTEEYSEKFSEDAKSICRMLLTKNPSKRLGCRGEGAAG-VKQHPVFKDINFRRLEANMLEPPFCPDPHAVYCKDVLDIEQFSVVKGIYLDTADEDFYARFATGCVSIPWQNEMIESGCFKDINKSESEEALPLDLDKNIHTPVSRPNRGFFYRLFRRGGCLTMVPSEKEVEPKQC |
| 3A61 Chain:A ((19-299)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FELLRVLGKGGYGKVF--QVRKVTGANTGKIFAMKVLK--------------AERNILEEVKHPFIVDLIYAFQTGGKLYLILEYLSGGELFMQLEREGI--FMEDTACFYLAEISMALGHLHQKGIIYRDLKPENIMLNHQGHVKLTDFG---------------GTIEYMAPEILMRSGHNRAVDWWSLGALMYDMLTGAPPFTGENRKKTIDKI-LKCKLNLPPY---LTQEARDLLKKLLKRNAASRLGA-GPGDAGEVQAHPFFRHINWEELLARKVEPPFKP-------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A61.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -133813 for 1918 contacts (-69.8/contact) +
2D Compatibility (PS) -26270 + (NN) -12057 + (LL) 20640
1D Compatibility (HY) -27600 + (ID) 5300
Total energy: -184400.0 ( -96.14 by residue)
QMean score : 0.430
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