Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGQELCAKTVQPGCSCYHCSEGGEAHSCRRSQPETTEAAFKLTDLKEASCSMTSFHPRGLQAARAQKFKSKRPRSNSDCFQEEDLRQGFQWRKSLPFGAASSYLNLEKLGEGSYATVYKGISRINGQLVALKVISMNAEEGVPFTAIREASLLKGLKHANIVLLHDIIHTKETLTFVFEYMHTDLAQYMSQHP-GGLHPHNVRLFMFQLLRGLAYIHHQHVLHRDLKPQNLLISHLGELKLADFGLARAKSIPSQTYSSEVVTLWYRPPDALLGATEYSSELDIWGAGCIFIEMFQGQPLFPGVSNILEQLEKIWEVLGVPTEDTWPGVSKLPNYNPEWFPLPTPRSLHVVWNRLGRVPEAEDLASQMLKGFPRDRVSAQEALVHDYFSALPSQLYQLPDEESLFTVSGVRLKPEMCDLLASYQKGHHPAQFSKCW |
3NS9 Chain:A ((3-286)) | -----------------------------------------------------------------------------------------------------NFQKVEKIGEGTYGVVYKARNKLTGEVVALKKI------GVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEI-DQLFRIFRTLGTPDEVVWPGVTSMPDYKPS-FPKWARQDFSKVVPPLDE--DGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL------------------------------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3NS9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -178197 for 2195 contacts (-81.2/contact) +
2D Compatibility (PS) -29909 + (NN) -12904 + (LL) 8744
1D Compatibility (HY) -30400 + (ID) 7050
Total energy: -249716.0 ( -113.77 by residue)
QMean score : 0.505
|
|
|