Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKRLKPYWLSITAVLVLTFGQVIGQLYLPTLMSNIIDKGVVTGDTDYIWSTGMKMLLISFASVILSVIVVYLASRISMGFGKELRDKIFTKVEDFSLQEFDKVGTSSLITRTTNDVVQIQNVLYMMMRLMVMAPIMLLGGIIMAVGRDAKLSLIFVVVLPLLLLLVVILGGKAMPMFKSLQKKMDKLNRVIREGLTGIRVVRSFNRNEDELEKFEEANADYATTAIKVNRLLSLMSPLMMLLMNLTSIAIVWIGSIFIGNGDMQVGDLMAFIQYAMQIMMSFMMLSAVFIMIPRAGASAERINEVLDMNAEILNPENPKTSTPPAKLSFEHVTFRY-EGAEKPVI--EDITFEANAGETIAIIGSTGAGKSTLINMIPRFYDVESGVVKINGIDV--REMDQSSLRQKIGLVPQ--KAVLFTGTIASNMRYGKED--ATDEEIWEALRTAQAENFVSKLANGLGSRVEQGGNNFSGGQKQRLSIARSLIRKPEIYIFDDSFSALDFKTDAKLREALK--AETTEAVTLIVAQRITSVVN-SDQIIVMNEGKIAGMGTHEELKESNQIYQEIMRSQLSEEEIA |
4MKI Chain:B ((5-235)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MPIKVENVSFIYNEGTPYATVALKDINFSIDDEEFVGIIGHTGSGKSTLIQQLNGLLKPSKGKIYINGIDITDKKVSLKDIRKQVGLVFQYPEYQLFEETVFKDIAFGPSNLGLSEEEVKERVYEAMEIVGISK------ELADKSPFELSGGQKRRVAIAGILAMRPKILILDEPTAGLDPKGKQEILNKIKEIHDKYKMITILVSHNMEDIARIADKIIVMNRGKIELIGTPREV--------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4MKI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -86944 for 1679 contacts (-51.8/contact) +
2D Compatibility (PS) -23910 + (NN) -8846 + (LL) 31012
1D Compatibility (HY) -18000 + (ID) 3650
Total energy: -110338.0 ( -65.72 by residue)
QMean score : 0.496
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