Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPA------EPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPP-GGTE-RRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKP-GDSLP--RRGP--------GATGIG--------TPAAGPGEERVGAAKASRWRGRQ-NREKRF--TF-------------------VLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRT-LFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV |
| 3NYA Chain:A ((47-477)) | --------------------------------------VMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTASIWTLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLP---IQMHWYRATHQEAINCYAEETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPS----------LNAAKSELDKAIGRNTNGV-----ITKDEAEKLFN---QDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAK-SRWYNQTPNRAKRVITTFRTGTWDAYKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLIYC-RSPDFRIAFQELLCL------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NYA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -177807 for 2698 contacts (-65.9/contact) +
2D Compatibility (PS) -38013 + (NN) 2679 + (LL) 2952
1D Compatibility (HY) -38400 + (ID) 7050
Total energy: -255639.0 ( -94.75 by residue)
QMean score : 0.215
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