Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLSRQNSKLIQAFIAIILFFSLGLVIKYWPDTVIAFDQNIQESVRGQLPNLSTRFFKLITVIGNTVSQIAIAIMSVTFCYLKKWYPQARFIAVNAIISGICILSLKLIFQRVRPTLTHLVFAGGYSFPSGHSMGTFMIFGSIIILLQYYMPK-----------------SIWKLLCQGILGLLIFLIGLSRIYLGVHFPTDVLAGFILAYGILNLTAYIFLAKDWLKKVK |
1UP8 Chain:A ((477-576)) | ------------------------------------------------------------------------------------------------------------------------SPFHPSYGSGHAVVAGACVTILKAFFDSGIEIDQVFEVDKDEDKLVKSSFKGTLTVAGELNKLADNIAIGRNMAGVHYFSDQFESLLLGEQVAIGILEEQSLTYGENFFF |
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General information:
TITO was launched using:
| RESULT:
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Template: 1UP8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -67859 for 530 contacts (-128.0/contact) +
2D Compatibility (PS) -8253 + (NN) 423 + (LL) 11724
1D Compatibility (HY) 1200 + (ID) 750
Total energy: -63515.0 ( -119.84 by residue)
QMean score : 0.090
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