Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MQFGAKPLFENVSVKFGNGNRYGLIGANGCGKSTFMKILGNDLEPSAGQVMLEPNVRLGKLRQDQFAYEDFSVIDTVIMGHEELWAVKAERDRIYSLPEMSEADGMAVAELEVQFAEFDGYTAESRAGELLLGLGIPLEQHFGPMSAVAPGWKLRVLLAQALFSDPDVLLLDEPTNHLDINTIRWLEGVLTARNSTMIIISHDRHFLNSVCTHMADLDYGELRLFPGNYDEYMTAAEQARERLLSDNAKKKAQIAELQSFVSRFSANASKAKQATSRARQIDKIQLEEVKPSSRVSPFIRFEQYKKLHRQAVTVENISKGYDG--KPLFKGLSLQVEAGERVAIIGPNGIGKTTLLRCLVGDLPVDGGEVKWTDSADVGYFAQDHADDFADDMSLFDWMA----QWT-QGGEQLVRGTLGRMLFSNDEIKKSVKVISGGEQGRMLFGRLILKRPNVLVMDEPTNHLDMESIEALNLALDNYPGTLIFVSHDREFVSSLATRIIELGENGVTDFSGSYDDYLRSQGVIV |
| 2IW3 Chain:A ((443-769)) | LAYGAKILLNKTQLRLKRARRYGICGPNGCGKSTLMRAIAN------GQV-------------DGFPTQ------------EECRTVYVEHD----------IDGTHSDTSVLDFVFESGVGTKEAIKDKLIEFGFTDEMIAMPISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNTCGITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEFV----------------KKCP--------------AAKAYEELSNT----DLEFKFPEPG-------YLEGVKTKQKAIVKVTNMEFQYPGTSKPQITDINFQCSLSSRIAVIGPNGAGKSTLINVLTGELLPTSGEVYTHENCRIAYIKQ-HA--FAHIESHLDKTPSEYIQWRFQTGEDRETMDRANRQINENDAEAMNKIFKIEGTPRRIAGIHSRRKFKNTYEYECSFLLGENIGMKSERWVPMMSVDNAWIPRGELVESHSKMVAEVDMKEALASGQFRPLTRKEIEEHCS |
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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) -113579 for 2185 contacts (-52.0/contact) +
2D Compatibility (PS) -34034 + (NN) -14861 + (LL) 6096
1D Compatibility (HY) -21600 + (ID) 6000
Total energy: -183978.0 ( -84.20 by residue)
QMean score : 0.319
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