Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAEYNWDERHIITFPEENSALTTKDLHVY---YGEKEAIKGIDMQFEKNKITALIGPSGCGKSTYLRSLNRMNDTIDIARVTGQIMYEGIDVNAQDINVYEMRKHIGMVFQRPNPFAK-SIYKNITFAYERAGVKDKKFLDEVVETSLKQAALWDQV--KDDLHKSAFTLSGGQQQRLCIARAIAVKPEILLMDEPASALDPIATMQLEETMFEL-KKNYTIIIVTHNMQQAARASDYTAFFYLGDLIEYDKTNNIFQNAKCQSTSDYVSGRFG |
3C4J Chain:A ((22-263)) | --------------------LQMIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDE-----GEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAP----MKVRKWPREKAEA--KAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSKVF- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C4J.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -118639 for 1897 contacts (-62.5/contact) +
2D Compatibility (PS) -24825 + (NN) -5603 + (LL) 2336
1D Compatibility (HY) -17600 + (ID) 4700
Total energy: -169031.0 ( -89.10 by residue)
QMean score : 0.478
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