Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKWLKQLQSLHTKLVIVYVLLIIIGMQIIGLYFTNNLEKELLDNFKKNITQYAKQLEISIEKVYDEKGSVNAQKDIQNLLSEYANRQEIGEIRFIDKDQIIIATTKQSNRSLINQKANDSSVQKALSLGQSNDHLILKDYGGGKDRVWVYNIPVKVDKKVIGNIYIESKINDVYNQLNNINQIFIVGTAISLLITVILGFFIARTITKPITDMRNQTVEMSRGNYTQRVKIYGNDEIGELALAFNNLSKRVQEAQANTESEKRRLDSVITHMSDGIIATDRRGRIRIVNDMALKMLGMAKEDIIGYYMLSVLSLEDEFKL-EEIQENNDSFLLDLNEEEGLIARVNFSTIVQETG-FVTGYIAVLHDVTEQQQVERE---------RREFVANVSHELRTPLTSMNSYIEALEEGAWKDEELAPQFLSVTREETERMIRLVNDLLQLSKMDNESDQINKEIIDFNMFINKIINRHEMSAK--DTTFIRDIPKKTIFTEFDPDKMTQVFDNVITNAMKYSRGDKRVEFHVKQNPLYNRMTIRIKDNGIGIPINKVDKIFDRFYRVDKARTRKMGGTGLGLAISKEIVE-AHNGRIWANSVEGQGTSIFITLPCEVIEDGDWDE |
3A0R Chain:A ((9-348)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FSESILESLETAIITLSKDGRITEWNKKAEQLFGLKKENVLGRRLKDLPDFEEIGSVAESVFENKEPVFLNFYKFGERYFNIRFSPFRNAKTQLLEGVIITIDDVTELYKYEEERKRRERLSILGEMTARVAHEIRNPITIIGGFIMRMKKHLDD-PETLKKYINIITNELSRLETIVKEILEYSKER----VLEFTEFNLNELIREVYVLFEEKIRKMNIDFCFETDNEDLRVEADRTRIKQVLINLVQNAIEATGENGKIKITSED--MYTKVRVSVWNSGPPIPEELKEKIFSPFFTT------------LGLSICRKIIEDEHGGKIWTENRE-NGVVFIFEIPKTPEK------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3A0R.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -108496 for 2200 contacts (-49.3/contact) +
2D Compatibility (PS) -33424 + (NN) -6954 + (LL) 20036
1D Compatibility (HY) -22000 + (ID) 3750
Total energy: -154588.0 ( -70.27 by residue)
QMean score : 0.404
|
|
|