Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MLSVEKLAYTHGDSHYLFDEVTFSLNPGERILISGYSGCGKSTLALLLSGLKESGKGQVLLNGSLIEPSDVGFLFQNPDLQFCMDTVAHELYFILENLQIEPEQMQDRSEFVLAQVGLKG-FQNRLIYTLSQGEKQRLALATIFLKSPKLIILDEAFANLDQESASQLLQLVLNYQANNQSMLIVIDHLITYYQDIMDHYFWLKKRLTRVD-FDYM-LN--RL--N-V-----------FELE---KKSHNTGDKLLSIKDFQVKLSK--NKFISYLDFDLASGERLCLDGPSGVGKSSFFMGLLGLYRT-KGKKQFTHRKQIPISFLFQNPLDQFI---FST------------------------------------------------------------------VYDEIFQ----------------------------------------VCK---DSNKARDILETINLWDK--KQFSPFQLSQGQQRRLAIGSILASDSKLLLLDEPTYGQDAYHANMITTLLLSYCHKNHCGVIFTSHDPHLKECFATRFLEVSSCSI |
| 2IW3 Chain:A ((440-976)) | -----EFSLAYG-AKILLNKTQLRLKRARRYGICGPNGCGKSTLMRAIANGQV--DGFPTQE-----ECRTVYVEHDIDGTHSDTSVLDFVFESGV-------GTKEAIKDKLIEFGFTDEMIAMPISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNTC----GITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEFVKKCPAAKAYEELSNTDLEFKFPEPGYLEGVKTKQKAIVKVTNMEFQYPGTSKPQITDINFQCSLSSRIAVIGPNGAGKSTLINVLTGELLPTSGEVYTHEN--CRIAYIKQHAFAHIESHLDKTPSEYIQWRFQTGEDRETMDRANRQINENDAEAMNKIFKIEGTPRRIAGIHSRRKFKNTYEYECSFLLGENIGMKSERWVPMMSVDNAWIPRGELVESHSKMVAEVDMKEALASGQFRPLTRKEIEEHCSMLGLDPEIVSHSRIRGLSGGQKVKLVLAAGTWQRPHLIVLDEPTNYLDRDSLGALSKALKEF----EGGVIIITHSAEFTKNLTEEVWAVKDGRM |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IW3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -241019 for 2949 contacts (-81.7/contact) +
2D Compatibility (PS) -42439 + (NN) -12454 + (LL) 1520
1D Compatibility (HY) -11600 + (ID) 3700
Total energy: -309692.0 ( -105.02 by residue)
QMean score : 0.333
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