Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKLILAINAGSSSLKFQLIRMPEEELVTKGLIERIGLKDSIFTIEVNGEKVKTVQDIKDHVEAVDIMLDAFKAHNI--INDINDIDGTGHRVVHGGEKFPESVAITDEVEKEIEELSELAPLHNPANLMGIRAFRKLLPNIPHVAIFDTAFHQTMPEKAYLYSLPYHYYKDYGIRKYGFHGTSHKFVSQRAAEMLDKPIEDLRIISCHIGNGASIAAIDGGKSIDTSMGFTPLAGVTMGTRSGNIDPALIPFIMEKTGKTAEQVLEILNKESGLLGLS-GTSSDLRDLSEEAESGKARSQMALDVFASKIHKYIGSYAARMHGVDVIVFTAGIGENSVEIRAKVLEGLEFMGVYWDPKKNENLLRGKEGFINYPHSPVKVVVIPTDEESMIARDVMTFGGLK |
2IIR Chain:A ((1-400)) | --MRVLVINSGSSSIKYQLIEMEGEKVLCKGIAERIGIEGSRLVHRVGDEKHVIERELPDHEEALKLILNTLVDEKLGVIKDLKEIDAVGHRVVHGGERFKESVLVDEEVLKAIEEVSPLAPLHNPANLMGIKAAMKLLPGVPNVAVFDTAFHQTIPQKAYLYAIPYEYYEKYKIRRYGFHGTSHRYVSKRAAEILGKKLEELKIITCHIGNGASVAAVKYGKCVDTSMGFTPLEGLVMGTRSGDLDPAIPFFIMEKEGISPQEMYDILNKKSGVYGLSKGFSSDMRDIEEAALKGDEWCKLVLEIYDYRIAKYIGAYAAAMNGVDAIVFTAGVGENSPITREDVCSYLEFLGVKLDKQKNEETIRGKEGIISTPDSRVKVLVVPTNEELMIARDTKEIVEK- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2IIR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -237389 for 3410 contacts (-69.6/contact) +
2D Compatibility (PS) -43913 + (NN) -18927 + (LL) 244
1D Compatibility (HY) -41200 + (ID) 11200
Total energy: -352385.0 ( -103.34 by residue)
QMean score : 0.610
|
|
|