Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | VNLEKELKEYLGFDEFRPGQKEVIETALAKQNCFAMLPTGTGKTICYQLAGHLMDGLVLIVSPLLSLMQDQMERMRAHGEKRVAALNSFLKREEKGQILASIHS--YKFIFLSPEMLNNETVKNLLLKQKISLFVIDEAHCISQWGHDFRPDYLMLGRFIQEAKFPVT--MVLTATATKKVRADILTQLHLTDCAQIVYSVNRPNIS-LQVEKFSNQHVKKDRLYELVRKLQ----TPGIIYFSSKKLAESTAHELSEIAELRVAYYHGDMDTEDRIIIQQQFVYGQLDVICATSAFGMGIDKADIRYVIHYHMPADLEAYLQEIGRAGRDGEDSVAILLYANGDEFIQMQLADQDIPDANLMNLTTEQRKTLPETEQRFIDYYQRSGLSTKELTDKMDYRKKWKRANLQQFIGYLHTTDCRRNYILRYFEEAPLEVTPENCCDLDGAEIINFEKRAKIKQKEIPTWEAYLAYLLQ |
| 1OYY Chain:A ((17-344)) | ------LQETFGYQQFRPGQEEIIDTVLSGRDCLVVMPTGGGKSLCYQIPALLLNGLTVVVSPLISLMKDQVDQLQANGVA-AACLNSTQTREQQLEVMTGCRTGQIRLLYIAPERLMLDNFLEHLAHWNPVLLAVDEAHCISQWGHDFRPEYAALGQLRQ--RFPTLPFMALTATADDTTRQDIVRLLGLNDPLIQISSFDRPNIRYMLMEKFKP-------LDQLMRYVQEQRGKSGIIYCNSRAKVEDTAARLQSKG-ISAAAYHAGLENNVRADVQEKFQRDDLQIVVATVA----INKPNVRFVVHFDIPRNIESYYQETGRAGRDGLPAEAMLFYDPAD----------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1OYY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -264714 for 2501 contacts (-105.8/contact) +
2D Compatibility (PS) -35259 + (NN) -22137 + (LL) 11880
1D Compatibility (HY) -25600 + (ID) 6550
Total energy: -342380.0 ( -136.90 by residue)
QMean score : 0.474
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