Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPLAEGSTFAGFTIVRQLGSGGMGEVYLARHPRLPRQDALKVLRADVSADGEYRARFNREADAAASLWHPHIVAVHDRGEFDGQLWIDMDFVDGTDTVSLLRDRYPNGMPGP----EVTEIITAVAEALDYAHERRLLHRDVKPANILIANPDSPDRRIMLADFGIAGWVDDPSGLTATNMTVGTVSYAAPEQLMGNELDGRADQYALAATAFHLLTGSPPFQHANPAVVISQHLSASPPAIGDRVPELTPLDPVFAKALAKQPKDRYQRCVDFARALGHRLGGAGDPDDTRVSQPVAVAAPAKRSLLRTAVIVPAVLAMLLVMAVAVAVREFQRADDERAAQPARTRTTTSAGTTTSVAPASTTRPAPTTPTTTGAADTATASPTAAVVAIGALCFPLGSTGTTKTGATAYCSTLQGTNTTIWSLTEDTVASPTVTATADPTEAPLPIEQESPIRVCMQQTGQTRRECREEIRRSNGWP |
3CKX Chain:A ((9-247)) | -----------FTKLEKIGKGSFGEVFKGIDNRTQKVVAIKII--DLEE--DEIEDIQQEITVLSQCDSPYVTKYYGSYLKDTKLWIIMEYLGGGSALDLLE-------PGPLDETQIATILREILKGLDYLHSEKKIHRDIKAANVLL----SEHGEVKLADFGVAGQLTDTQ--IKRNTFVGTPFWMAPEVIKQSAYDSKADIWSLGITAIELARGEPPHSELHPMKVLFLIPKNNPPTLEGNYSK--PLKEFVEACLNKEPSFR--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CKX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -96785 for 1857 contacts (-52.1/contact) +
2D Compatibility (PS) -24521 + (NN) -10485 + (LL) 13956
1D Compatibility (HY) -15200 + (ID) 3600
Total energy: -136635.0 ( -73.58 by residue)
QMean score : 0.473
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