Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQFGAKPLFENVSVKFGNGNRYGLIGANGCGKSTFMKILGNDLEPSAGQVMLEP-------------NVRLGKLRQDQFAYEDFSVIDTVIMGHEELWAVKAERDRIYSLPEMSEADGMAVAELEVQFAEFDGYTAESRAGELLLGLGIPLEQHFGPMSAVAPGWKLRVLLAQALFSDPDVLLLDEPTNHLDINTIRWLEGVLTA----RNSTMIIISHDRHFLNSVCTHMADLDYGELRLFPGNYDEYMTAAEQARERLLSDNAKKKAQIAELQSFVSRFSANASKAKQATSRARQIDKIQLEEVKPSSRVSPFIRFEQYKKLHRQAVTVENISKGYDGKPLFKGLSLQVEAGERVAIIGPNGIGKTTLLRCLVGDLPVDGGEVKWTDSADVGYFAQDHADDFADDMSLFDWMAQWTQGGEQLVRGTLGRMLFSNDEIKKSVKVISGGEQGRMLFGRLILKRPNVLVMDEPTNHLDMESIEALNLALDNYPGTLIFVSHDREFVSSLATRIIELGENGVTDFSGSYDDYLRSQGVIV |
3FVQ Chain:A ((13-226)) | -SFQNTPVLNDISLSLDPGEILFIIGASGCGKTTLLRCLAGFEQPDSGEISLSGKTIFSKNTNLPVRERRLGYLVQEGVLFPHLTVYRNIAYGLGNGKG--------------------------------RTAQERQRIEAMLELTGIS-ELAGRYPHELSGGQQQRAALARALAPDPELILLDEPFSALDEQLRRQIREDMIAALRANGKSAVFVSHDREEALQYADRIAVMKQGRILQT-ASPHELYRQPADLDAALFIGEGIVFPAALNADGTADCRLGRLPVQSGAPAGTRGTLLIRPEQYSLHPHSAPAASIHAVVLKTTPKARHTEISLRAGQTVLTLNLLSDGISAVLHLDGPALFFPG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3FVQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -117945 for 1503 contacts (-78.5/contact) +
2D Compatibility (PS) -21095 + (NN) -11812 + (LL) 14996
1D Compatibility (HY) -7200 + (ID) 2600
Total energy: -145656.0 ( -96.91 by residue)
QMean score : 0.487
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