Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSITKEFDTIAAISTPLGEGAIGIVRISGTDALKIASKIYRGKDLSAIQSHTLNYGHIVDPDKNEILDEVMLGVMLAPKTFTREDVIEINTHGGIAVTNEILQLILRHGARMAEPGEFTKRAFLNGRVDLTQAEAVMDLIRAKTDKAMDIAVKQLDGSLKTLINNTRQEILNTLAQVEVNIDYPEYDDVEEMTTTLMREKTQEFQALMENLLRTARRGKILREGLSTAIIGRPNVGKSSLLNNLLREEKAIVTDIEGTTRDVIEEYVNIKGVP----LKLVDTAGIRDT--DDIVEKIGVERSKKALEEADLVLLVLNSSEPLTLQDRSLLE-LSKESNR--IVLLNKTD--------LPQKIEVN-ELPE--NVIPISVLENENIDKIEERINDIFFDNAGMVEHDATYLSNARHISLIEKAVDSLKAVNEGLELGMPVDLLQVDMTRTWEILGEITGDAAPDELITQLFSQFCLGK |
| 3R9X Chain:A ((12-171)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VAIVGKPNVGKSTLLNNLLGTKVSIISPKAGTTRMRV---LGVKNIPNEAQIIFLDTPGIYEPKKSDVLGHSMVEIAKQSLEEADVILFMIDATEGWRPRDEEIYQNFIKPLNKPVIVVINKIDKIGPAKNVLPLIDEIHKKHPELTEIVPISALKGANLDELVKTILKYLPEGEPLFPEDMITDLPLRLLAAEIVREKAMMLTREEVPTSIAVKINEIKPGDANPNMLVIKGEIIVDRENLKPIIIGKKGQ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3R9X.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -43241 for 1041 contacts (-41.5/contact) +
2D Compatibility (PS) -15094 + (NN) -4855 + (LL) 17892
1D Compatibility (HY) -14400 + (ID) 2800
Total energy: -62498.0 ( -60.04 by residue)
QMean score : 0.553
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