Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDLDTITSISTPMGEGAIGIVRLSGPQAVEIADKLYKGKHLL---NDVPSHTINYGHIIDPESKEVVEEVMVSVLRAPKTFTREDIIEINCHGGILTINRVLELTMTYGARMAEPGEFTKRAFLNGRIDLSQAEAVMDFIRSKTDRASKVAMNQIEGRLSDLIKKQRQSILEILAQVEVNIDYPEYDDVEDATTEFLLEQSKEIKQEINRLLDTGAQGKIMREGLSTVIVGKPNVGKSSMLNNLIQDNKAIVTEVAGTTRDVLEEYVNVRGVPLRLVDTAGIRETEDIVEKIGVERSRKALSQADLILFVLNNNEALTQEDYTLYEVV----KNEDVIVIVNKMDLEQNIDINEV-KDMIGDTPLIQTSMLKQEGIDELEIQIRDLFFGGEVQNQDMTYVSNSRHISLLKQARQTIQDAIDAAESGVPMDMVQIDLTRTWEILGEIIGETASDELIDQLFSQFCLGK |
3GEE Chain:A ((14-476)) | -PGHPIAAIATPVGVGALAIVRISGAGVLDLADRVFRKVHGSGKLAEAAGYTAHFGRLYDG--EEMVDEVIALVFRAPRSFTAEQMVEFTCHGGPVVVGRVLRLMLDNGCRLAEPGEFTRRAFLNGRIDLLQAEAIGEMIHARTESAYRTAVSQMKGDLSVRLGGLREQLIRSCALIELELDFSE-EDVEFQSRDELTMQIETLRSEVNRLIDSYQHGRIVSEGVSTVIAGKPNAGKSTLLNTLL------------------EECFIHDKTMFRLTD--------------------MKMAEADLILYLLDLGTERLDDELTEIRELKAAHPAAKFLTVANKLDRAANADALIRAIADGTGTEVIGISALNGDGIDTLKQHMGDLVKNLDKLHEASVLVTSLRHYEALRNASDALQNALELIAHESETELIAFELRAALDYVGQITGKVVNEEVLNTIFDKFCIGK |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3GEE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -140555 for 3272 contacts (-43.0/contact) +
2D Compatibility (PS) -45900 + (NN) -19525 + (LL) 3336
1D Compatibility (HY) -29600 + (ID) 7300
Total energy: -239544.0 ( -73.21 by residue)
QMean score : 0.474
|
|
|