Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSANPLLQAYDLPPFSSIRPEHVKPAIERILADNRAAIARLLETQREQPTWKGLVLAMDELNDRLGAAWSPVSHLNAVCNSAELREAYEACLPELSAYSTELGQNRALFEAYEALAKSPEAAGFDVAQKTILEHALRDFRLSGIDLPADKQKRYAEVQSRLSELGSRFSNQLLDATQAWTKHVTDEAALAGLTDSAKAQMKQAAEAKGLDGWLISLEFPSYYAVMTYADDRALREEVYAAYCTRASDQGPNAGQNDNGPVMEEILDLRQELAGLLGFANYAELSLAT-------KMAESSDQVLSFLRDLAVRSKPFAARDLEQLRAYA-AEQG---------------CTELQSWDAGYYAEKL--REARYSVSQEALRAYFPVDKVLSGLFAIVERLYG-IQIRELHDFERWHADVRLFEILENGEHVGRFYFD--LYARANKRGGAWMDGARDRRRDAQGRLIDPVAYLVCNFTPAVNGKPALLTHDEVTTLFHEFGHGLHHLLTRVEHAAASGINGVAWDAVELPSQFMENWCWEPEGLALISAHYETGVALPQDLLEKMLAAKNFQSGMMMVRQLEFS-LFDFELHATHG---DGRSVLQVLEGIRDEVAVMRPP----AYNRFANSFAHIFAGGYAAGYYSYKWAEVLSADAFSRFEEE----------GVF-NPDTGRAFREAILARGGSREPMLLFVDFRGR-EPSIDALLRHSGLVGEAA |
| 1R42 Chain:A ((21-589)) | ----------------------------------------------IEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQE---------IQNLTVKLQLQALQQNG---SSVLSEDKSKRLNTILN---TMSTIYSTGKV---------CNPD---------------------NPQEC-LLL-EPGLNEIMANSLDYNERLWAWESWRSEVGK--------QLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDA----QRIFKEAEKFFVSVGLPNMT-QG---------------------FWENSMLTDPGNVQKAVCHPTAWDLG-----KG--DFRILMCTKV---------TMDDFLTAHHEMGHIQYDMAYAAQPFLLRNG--ANEGFHEAVGEIMSLSAATPKHLKSIGL--LSPDFQEDN--ETEIN-FLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSN---DYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLF-NMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWL |
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General information:
TITO was launched using:
| RESULT:
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Template: 1R42.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -185250 for 4067 contacts (-45.5/contact) +
2D Compatibility (PS) -55351 + (NN) -18851 + (LL) 10232
1D Compatibility (HY) -9600 + (ID) 3500
Total energy: -262320.0 ( -64.50 by residue)
QMean score : 0.361
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