Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MPSSKPLAEYARKRDFRQTPEPSGRKPRKDSTGLLRYCVQKHDASRLHYDFRLELDGTLKSWAVPKGPCLDPAVKRLAVQVEDHPLDYADFEGSIPQGHYGAGDVIVWDRGAWTPLDDPREGLEKGHLSFALDGEKLSGRWHLIRTNLRGKQSQWFLVKAKDGEARSLDRFDVLKERPDSVLSERTLLPRHGEAATPAARPARRGKSGGKTPMPEW---IAPELASLVEQPPR------GEWAYELKLDGYRLMSRIEDGHVRLLTRNGHDWTERLP----HLEKALAGLGLQRSWLDGELVVLDEEG---RPDFQALQ------NAFEEGRGENILYVLFDLPYHEGEDLRDVALEERRARLEALLEGRDEDPL--RFSATLAEDPRDLLASACKLGLEGVIGKRLG--SAYRS-RRSNDWIKLKCQLRQE------FVIVGYTEPKGSR-RHIGALLLGLYSPDEERRLRYAGKVGSGFTAASLKKVRERLEPLAVRSSPLAKVPPARETGSVQWVRPQQLCEVSYAQMTRGGIIRQAVFHGLREDKPAREVTGERPAGPPPLRGARKASAGASRAATAGVRISHPQRLIDPSIQASKLELAEFHARYADLLLRDLRERPVSLVRGPDGIGGELFFQKHAARLKIPGIVQLDPALDPGHPPLLQIRSAEALVGAVQMGSIEFHTWNASLANLERPDRFVLDLDPDPALPWKRMLEATQLSLTLLDELGLRAFLKTSGGKGMHLLVPLERRHGWDEVKDFAQAISQHLARLMPERFSAVSGPRNRVGKIFVDYLRNSRGASTVAAYSVRAREGLPVSVPVFREELDSLQGANQWNLRSLPQRLDELAGDDPWADYAGTRQRISAAMRRQLGRG |
| 2HIV Chain:A ((215-537)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VEKGIEALKTLKPQVGIPIRPMLAERLSNPEEILKKMGGNAIVDYKYDGERAQIHKKEDKIFIFSRRLENITSQYPDVVDYVSKYIEG---KEFIIEGEIVAIDPESGEMRP-FQELMHRKRKSDIYEAIKEYPVNVFLFDLMYYEDVDYTTKPLEARRKLLESIVKPNDYVKIAHHIQANNVEDLKSFFYRAISEGGEGVMVKAIGKDAIYQAGARGWLWIKLKRDYQSEMADTVDLVVVGGFYGKGKRGGKISSLLMAAYNPKTD-SFESVCKVASGFSDEQLDELQKKLMEIK-RDVKHPRVNSKMEPDI--WVEPVYVAEIIGSEITISPLHTCCQDVVEKDAGLSIRFPRFIRWRDDKSPEDATTTDEILEMYNKQPKK------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2HIV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -76524 for 2065 contacts (-37.1/contact) +
2D Compatibility (PS) -30559 + (NN) -10368 + (LL) 28812
1D Compatibility (HY) -19600 + (ID) 4400
Total energy: -112639.0 ( -54.55 by residue)
QMean score : 0.435
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