Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKQRILIVGAGFAGMWSALSAVRQLDRQGRDDVEVAVLAPQPELRI-RPRFYEPDVQR-------MAAPLGELFAAVGVRF-VQGSAQRIDVAGKRVEYRDA-EGTLAQLDYDRLVLAAGSGVWRPASVAGID--AAFDVDQLEDALRLEAHLHALRDLPDSPARNTVVVAGGGFTGIETATEMPARLRAILGEKAALRVIVVDRGAAIGASMGADLSGLIAEASAELGVEWCLGRSVAAVDAEG---VTLDDGQRIEAKTVVWTVGVRAS-TLTGQIPGERDAQGRLHVDRNLKVLGLDDVYATGDVARAATDDL-GNHALMTCQHAIALGRSAGNNVAADLLGVEPIPYSQVKYVTCLDLGGWGAVFTEGWDRQVRFVREEGKKIKTEINGVWIYPPAADRAVALAAADPLIPVVA |
3CGB Chain:A ((37-353)) | --MNYVIIGGDAAGMSAAMQIVRNDE-----NANVVTLEKGEIYSYAQCGLPYVISGAIASTEKLIARNVKTFRDKYGIDAKVRHEVTKVDTEKKIVYAEHTKTKDVFEFSYDRLLIATGVRPVMP-EWEGRDLQGVHLLKTIPDAERILKTLET-------NKVEDVTIIGGGAIGLEMAETFVELG---------KKVRMIERNDHIGTIYDGDMAEYIYKEADKHHIEILTNENVKAFKGNERVEAVETDKGTYKADLVLVSVGVKPNTDFLEGTNIRTNHKGAIEVNAYMQT-NVQDVYAAGDCATHYHVIKEIHDHIPIGTTANKQGRLAGLNMLDK---------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CGB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -195105 for 2472 contacts (-78.9/contact) +
2D Compatibility (PS) -32243 + (NN) -6098 + (LL) 7176
1D Compatibility (HY) -13600 + (ID) 3300
Total energy: -243170.0 ( -98.37 by residue)
QMean score : 0.400
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