Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTFEPYPFERLRALFKEITPKKKGLDLGIGEPRFETPKFIQD-ALKSHTHSLNIYPKSAFEESLREAQRGFFKRRFKIELK-ENELVSTLGSREVLFNFPSFVLFDYPNPTIAYPNPFYQIYEGSAQFARAKSLLMPLVKENDFTPSLNEKELQEVD---LVILNSPNNPTGRTLSLEELIAWVKLALKHDFILINDECYSE-IYENTPPSSLLEACMLADNGAFKNVLVIHSLSKRSSAPGLRSGFIAGDSSLLEKYKAFRTYLGYTSANAIQKASEVAWLDDRH---AEFFRNIYANNLKLARKIFKE----TLIYPYSFYAYLPVKD----GENFAKTLYQNEGITTLPALYLGRNHIGADYVRLALVYDTSLLEKPLEIIEAYRENYA |
1GDE Chain:A ((15-380)) | ----------IRKLFDIAAGMKDVISLGIGEPDFDTPQHIKEYAKEALDKGLTHYGPNIGLLELREAIAEKLKKQNGIEADPKTEIMVLLGANQAFLMGLSAFLKD--GEEVLIPTPAFVSYAPAVILAGGKPVEVPTYEEDEFRLNVDELKKYVTDKTRALIINSPCNPTGAVLTKKDLEEIADFVVEHDLIVISDEVYEHFIYDDARHYSIASL-----DGMFERTITVNGFSKTFAMTGWRLGFVAAPSWIIERMVKFQMYNATCPVTFIQYAAAKALKDERSWKAVEEMRKEYDRRRKLVWKRLNEMGLPTVKPKGAFYIFPRIRDTGLTSKKFSELMLKEARVAVVPGSAFGKA--GEGYVRISYATAYEKLEEAMDRMERVLKERK |
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General information:
TITO was launched using:
| RESULT:
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Template: 1GDE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -140161 for 3116 contacts (-45.0/contact) +
2D Compatibility (PS) -37849 + (NN) -22264 + (LL) 1352
1D Compatibility (HY) -16000 + (ID) 5000
Total energy: -219922.0 ( -70.58 by residue)
QMean score : 0.454
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