Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTMNDEPQSSSLDNFWMPFTANRQFKARPRLLESAEGIHYIAQGGRRILDGTAGLWCCNAGHGRREISEAVARQIATLDYAPPFQMGHPLPFELAARLTEIAPPSLNKVFFTNSGSESADTALKIALAYQRAIGQGTRTRLIGRELGYHGVGFGGLSVGGMVNNRKAFSANLLPGVDHLPHTLDVARNAFTVGLPEHGVEKAEELERLVTLHGAENIAAVIVEPMSGSAGVVLPPKGYLQRLREITRKHGILLIFDEVITGFGRVGEAFAAQRWGVVPDLLTCAKGLTNGSIPMGAVFVDEKIHAAFMQGPQGAIEFFHGYTYSGHPVACAAALATLDIYRRDDLFQRAVELEGYWQDALFSLRDLPNVVDIRAVGLVGGVQLAPHADGPGKRGYDVFERCFWEHDLMVRVTG-DIIAMSPPLIIDKPHIDQIVERLAQAIRASV |
1WKH Chain:B ((44-392)) | --------------------------------------------GNEYIDCVGGYGVANLGHGNPEVVEAVKRQAETL-MAMPQTLPTPMRGEFYRTLTAILPPELNRVFPVNSGTEANEAALKFARAHT------GRKKFVAAMRGFSGRTMGSLSVTWEPKYREPFLPLVEP-VEFIPYN-DV-----------------EALKRAVD----EETAAVILEPVQGEGGVRPATPEFLRAAREITQEKGALLILDEIQTGMGRTGKRFAFEHFGIVPDILTLAKAL-GGGVPLGVAVMREEVARSM---PKGG----HGTTFGGNPLAMAAGVAAIRYLERTRLWERAAELGPWFMEKLRAIPS-PKIREVRGMGLMVGLELK-------EKAAPYIARLEKEHRVLALQAGPTVIRFLPPLVIEKEDLERVVE----AVRA-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1WKH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -279043 for 3171 contacts (-88.0/contact) +
2D Compatibility (PS) -38105 + (NN) -16616 + (LL) 5216
1D Compatibility (HY) -25600 + (ID) 6750
Total energy: -360898.0 ( -113.81 by residue)
QMean score : 0.507
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