Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MLDTKMLRANFQEIKAKLVHKGEDLTDFDKFEALDDRRRELIGKVEELKGKRNEVSQQVAVLKREKKDADHIIKEMREVGEEIKKLDEELRTVEAELDTILLSIPNIPHESVPVGETEDDNVEVRKWG----EKP------SFAYEPKPHWDIADELGILDFERAAKVTGSRFVFYKGLGARLERALYNFMLDLHVDEYNYTEVIPPYMVNRASMTGTGQLPKFEEDAFKI--REEDYFLIPTAEVPITNMHRDEILS--GDSLPINYAAFSACFRSEAGSAGRDTRGLIRQHQFNKVELVKFVKPEDSYEELEKLTNQAERVLQLLELPYRVMSMCTGDLGFTAAKKYDIEVWIPSQDTYREISSCSNFEAFQARRANIR--FRREAKGKPEHVHTLNGSGLAVGRTVAAILENYQQEDGSVVIPKVLRPYMGNREVMKP |
| 3QNE Chain:A ((18-435)) | -------------IKASQKKRGDSVELVDEIIAEYKEWVKLRFDLDEHNKKLNSVQKEIGKRFKAKEDAKDLIAEKEKLSNEKKEIIEKEAEADKNLRSKINQVGNIVHESVVDSQDEENNELVRTWTPENYKKPEQIAAATGAPAKLSHHEVLLRLDGYDPERGVRIVGHRGYFLRNYGVFLNQALINYGLSF-LSSKGYVPLQAPVMMNKEVMAKTAQLSQFDEELYKVIDGEDEKYLIATSEQPISAYHAGEWFESPAEQLPVRYAGYSSCFRREAG-----AWGIFRVHAFEKIEQFVLTEPEKSWEEFDRMIGCSEEFYQSLGLPYRVVGIVSGELNNAAAKKYDLEAWFPFQQEYKELVSCSNCTDYQSRNLEIRCGI------EKKYVHCLNSTLSATERTICCILENYQKEDG-LVIPEVLRKYI-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3QNE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -110663 for 3116 contacts (-35.5/contact) +
2D Compatibility (PS) -42771 + (NN) -22168 + (LL) 1928
1D Compatibility (HY) -26800 + (ID) 7150
Total energy: -207624.0 ( -66.63 by residue)
QMean score : 0.457
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