Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEHNGHDKLNGVLRGFLGDSFTLDGKEGGLNMSKMLEFIKKEKPKMNVLLMGATGVGKSSLINALFGKEITKTGVGKPITQHLEK--YIDEEKGLILWDTKGIEDKDYHDTMQSIKKEMEDSFKTLDEKEAIDVAYLCVKETSSRVQERERELLSFAKHWNIPTIVVFTHTQAEAGDAFVQETKGIIDEEWGFKGFVRAYVRVNSVAFSFRGLKVPVEGLEELVDETKKCLSDAEKNKKRHFLSIQRVKIQERKQAMIEECKTIIHVASGAAGVAGLIPIPFSDALAIAPIQAGMIYKMNDAFGMDLDKSVGASLVAGLLGVTAVAQVGRTLVNGFLKFIPVVGSVAGGATAAVITEGIGFAYLKVLEKCFNDETGEVNLPGEVGMITSLFKENYLNLDTIKKLKP |
3A1S Chain:A ((3-167)) | ------------------------------------------LHMVKVALAGCPNVGKTSLFNALTGTKQYVAN-WPGVTVEKKEGVFTYKGYTINLIDLPGTYSLGYSSI----DEKIARDY---LLKGDADLVILVADSVNPE---QSLYLLLEILEMEKKVILAMTAIDEAKKTGMKIDR-YELQKH-----LGIPVVFTSSV----TG-----EGLEELKEKIVEYAQKNTILHRMILDYGEKVESEIKKVENFLRDKKLRINPRYFALKYLSGDPEFYSEGVKLGLPELSEEERIGYRLLIAKRKREYVENVVKEAFA----------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A1S.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -31348 for 1287 contacts (-24.4/contact) +
2D Compatibility (PS) -17974 + (NN) -6532 + (LL) 10836
1D Compatibility (HY) -6000 + (ID) 1700
Total energy: -52718.0 ( -40.96 by residue)
QMean score : 0.460
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