Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MNIVITGAKGFVGKNLKADLTSTTDHHIFEVHRQTKE---------------EELESALL--KADFIVHLAGVNRPE----HDKEFSLGNVSYLDHVLDILTRNTKKPAILLSSSIQATQ-----------------DNPYGESKLQGEQLLREYAEEYGNTVYIYRWPNLFGKWCKPNYNSVIATFCYKI-----ARNEEIQ-VNDRNVELTLNYVDDIVAEIKRAIEGTPTIENGVPTVPNVFKVTLGEIVDLLYKFKQSRLDRTLPKLDNLFEKDLYSTYLSYLPSTDFSYPLLMNVDDRGSFTEFIKTPDRGQVSVNISKPGITKGNHWHHTKNEKFLVVSGKGVIRFRHVNDDEIIEYYVSGDKLEVVDIPVGYTHNIENLGDTDMVTIMWVNEMFDPNQPDTYFLEV |
| 2PK3 Chain:A ((13-270)) | MRALITGVAGFVGKYLANHLTEQN-VEVFGTSRNNEAKLPNVEMISLDIMDSQRVKKVISDIKPDYIFHLAAKSSVKDSWLNKKGTFSTNVFGTLHVLDAVRDSNLDCRILTIGSSEEYGMILPEESPVSEENQLRPMSPYGVSKASVGMLARQYVKAYGMDIIHTRTFNHIGPGQSLG--FVTQDFAKQIVDIEMEKQEPIIKVGNLEAVRDFTDVRDIVQAYWLLSQYGKT--GDVYNVCSGIGTRIQDVLDLLLAMANVK------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2PK3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -123093 for 1643 contacts (-74.9/contact) +
2D Compatibility (PS) -22903 + (NN) -9027 + (LL) 8176
1D Compatibility (HY) -8000 + (ID) 2950
Total energy: -157797.0 ( -96.04 by residue)
QMean score : 0.468
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