Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKRLATTIIMLLSLALIIAGCGNNDTSKSDTAKTKEKEKTEVTSGASKTSYTDPSELKDKYDIVIVGAGGAGMSAALEAKAKGMNPVILEKMPLAGGNTMKASSGMNASETKFQKEEGINDSNDKFYEETLKGGHGTNDKAMLRFFVDNSASAIDWLDSMDIKLNNLTITGGMSEKRTHRPEDGSAVGKYLVDGLLKNVQEQKIPVFVNADVKEITQK-DGKVTGVRVKLNNKDEKTISSDAVVVTTGGYGANKDMIEKERPDLKGYVTTNQEGSTGDGIKMIEKLGGTTVDMDQIQVHPTVQQDKSYLIGEAVRGEGAILVSQEGKRFGNELDTRDNVTASINKLPEKSAYLVFDSGVKDRVKAIAQYEEMGFVEEGKTIDELAGKINVPKEELTKTLDTWNASVKNKKDEAFGRTTAMDNDLSKAPYYAIKIGPGIHYTMGGVKINTNTEVLDKDGKPITGLFAAGEVTGGLHGENRIGGNSVAEIIIFGRQAGDKSAEFVKAQ |
1QO8 Chain:A ((119-565)) | ----------------------------------------------------------SETTQVLVVGAGSAGFNASLAAKKAGANVILVDKAPFSGGNSMISAGGMNAVGTKQQTAHGVEDKVEWFIEDAMKGGRQQNDIKLVTILAEQSADGVQWLESLGANLDDLKRSGGARVDRTHRPHGGKSSGPEIIDTLRKAAKEQGIDTRLNSRVVKLVVNDDHSVVGAVVHGKHTGYYMIGAKSVVLATGGYGMNKEMIAYYRPTMKDMTSSNNITATGDGVLMAKEIGASMTDIDWVQAHPTVGKDSRILISETVRGVGAVMVNKDGNRFISELTTRDKASDAILKQPGQFAWIIFDNQLYKKAKMVRGYDHLEMLYKGDTVEQLAKSTGMKVADLAKTVSDYNGYVASGKDTAFGRADMPL-NMTQSPYYAVKVAPGIHHTMGGVAINTTASVLDLQSKPIDGLFAAGEVTGGVHGYNRLGGNAIADTVVFGRIAGDNAAKHALD- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1QO8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -107630 for 4246 contacts (-25.3/contact) +
2D Compatibility (PS) -47721 + (NN) -15731 + (LL) 3644
1D Compatibility (HY) -28000 + (ID) 9050
Total energy: -204488.0 ( -48.16 by residue)
QMean score : 0.494
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