Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSWNNRVVWSEGMFLRPQHFQQHDRYLETLVDGRCRSLLAGGWGFSELKLDDALLTQGKLAIVSARGVLPDGTPFNIPADDPAPAPLNVEESLRDGIVYLGLPLKRVGTRDTVEEGEALGGARYVSQVQEVRDDNAAFESRAPVALGSQAFRLLTERDGLGEYAAVGVARVREKRADQALSLDEDYLPPVLDIAAAPPLASFAKELLGLLHQRGEALAGRVVASSAGGASEIADFLLLQLVNRAEALTGHLSRVRPLHPQELYRELVALAGEFCTFTASQRRPEEYPVYNHDDLAASFAPVMLALRQALATVIDAKAIAIPIVEKAYGVHVAMLSDRSLIDNASFVLVVRADVPGESLRGHFPQQAKVGSVEHIRDLVNLQLPGIGLLPMPVAPRQIPYHAGSTYFELDRGSAHWKQLTHSGGFAFHIAGQFPGLNLAFWAIRG |
2XPN Chain:B ((3-21)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HMFFEIFGTGEEYRYVLES----------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2XPN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) 2331 for 68 contacts (34.3/contact) +
2D Compatibility (PS) -1904 + (NN) 239 + (LL) 28884
1D Compatibility (HY) -2000 + (ID) 150
Total energy: 27400.0 ( 402.94 by residue)
QMean score : -0.235
|
|
|