Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQSKGKKRNPGLKIPKEAFEQPQTSSTPPRDLDSKACISIGNQNFEVKADDLEPIMELGRGAYGVVEKMRHVPSGQIMAVKRIRATVNSQEQKRLLMDLDISMRTVDCPFTVTFYGALFREGDVWICMELMDT-SLDKFYKQVIDKGQ----TIPEDILGKIAVSIVKALEHLHSKLSVIHRDVKPSNVLINALGQVKMCDFGISGYLV-------DSVAKTIDAGCKPYMAPERINPELNQKGYSVKSDIWSLGITMIELAILRFPYDSWGTPFQQLKQVVEEPSPQLPA--------DKFSAEFVDFTSQCLKKNSKERPTYPELMQHPFFTLHESKGTDVASFVKLILGD |
3DAK Chain:D ((5-286)) | ---------------------------------------------WSINRDDYELQEVIGSGATAVVQAAYCAPKKEKVAIKRINLEKCQTSMDELLKEIQ-AMSQCHHPNIVSYYTSFVVKDELWLVMKLLSGGSVLDIIKHIVAKGEHKSGVLDESTIATILREVLEGLEYLH-KNGQIHRDVKAGNILLGEDGSVQIADFGVSAFLATGGDITRN-----F-VGTPCWMAPEVME---QVRGYDFKADIWSFGITAIELATGAAPYHKY-PPMKVLMLTLQNDPPSLETGVQDKEMLKKYGKSFRKMISLCLQKDPEKRPTAAELLRHKFFQKAK---------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3DAK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -149008 for 1927 contacts (-77.3/contact) +
2D Compatibility (PS) -27069 + (NN) -8962 + (LL) 2828
1D Compatibility (HY) -20400 + (ID) 4350
Total energy: -206961.0 ( -107.40 by residue)
QMean score : 0.467
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