Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLKVKRLEEFNTCYNSNQLEKMAFFQCREEVEKVKCFLEKNSGDQDSRSGHNEAKEVWSNADLTERMPVKSKRTSALAVDIPAPPAPFDHRIVTAKQGAVNSFYTVSKTEILGGGRFGQVHKCEETATGLKLAAKIIKTRG---MKDKEEVKNEISVMNQLDHANLIQLYDAFESKNDIVLVMEYVDGGELFDRIIDESYNLTELDTILFMKQICEGIRHMHQMYILHLDLKPENILCVNRDA--KQIKIIDFGLARRYKPREKLKVNFGTPEFLAPEVVNYDFVSFPTDMWSVGVIAYMLLSGLSPFLGDNDAETLNNILACRWDLEDEEFQDISEEAKEFISKLLIKEKSWRISASEALKHPWLSDHKLHSRLNAQKKKNRGSDAQDFVTK |
4QOX Chain:A ((74-339)) | --------------------------------------------------------------------------------------------------VFNEQYKGI--KILGKGSFGEVILSRDKHTGHEYAIKVISKKHVKRKTDKESLLREVELLKMLDHINIMKLYEFFEDNNYYYLVSDVYTGGELFDEIISR-KRFYEIDAARIIKQILSGITYMHKNNVVHRDLKPENILLETKN-EDMIIKIIDFGLSTHFEYS-----KIGTAYYIAPDVLHGT-YDEKCDIWSCGVILYILLSGCPPFNGSNEYDILKKVEAGKYTFDLPQFKKISDKAKDLIKKMLMYTSAVRISARDALEHEWIKMMTSKLELSIANIRQFQSTQKLAQAA |
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General information:
TITO was launched using:
| RESULT:
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Template: 4QOX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -155231 for 1968 contacts (-78.9/contact) +
2D Compatibility (PS) -27054 + (NN) -7401 + (LL) 7408
1D Compatibility (HY) -25600 + (ID) 5050
Total energy: -212928.0 ( -108.20 by residue)
QMean score : 0.439
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