Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGEMTLAFIEEQYKE---LDNLNNKE-NPAVLTRNTSTGELFVRKIIPSSF----APVIEQLKNL-SSKYLPKIEVMIPKGNQLIVYEEYINGKNLADLMKTNAPFDTDEVTRLMLMLSDALTELHANAIIHRDIKPSNIMISSDGVLKLIDFDASRMFEVGKNQDTVNLGTIGYAAPEQYGYSQTDARSDIYSIGVLMLELLLGKNTLPDKE-------------------------HATSLEKIAMQAGAFDPEQRYQSIQDFRTAVKNDSLGPSYVSELSDFTELDDSPTESAWKTPADEYENDFIPWYKHIPGFRTGTPWKMIVAVFGYMFLIFGLFSPPTEGVKMSHTVNFFSNFFLIVPAFVIFTNLCGIWSKLPLLKSPSPGTRKAGIVIYIIVCVSIYGIYNEIFS |
3KN6 Chain:A ((421-682)) | ----------QHYDLDLKDKPLGEGSFSICRKCVHKKSNQAFAVKIISKRMEANTQKEITALKLCEGHPNIVKLHEVFHDQLHTFLVMELLNGGELFERIKKKKHFSETEASYIMRKLVSAVSHMHDVGVVHRDLKPENLLFTD-LEIKIIDFGFARLKPP----------------------NGYDESCDLWSLGVILYTMLSGQVPFQ---CTSAVEIMKKIKKGDFSFEGEAWKNVSQEAKDLIQGLLTVDPNKRL-KMSGLR---------------------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3KN6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -90284 for 1393 contacts (-64.8/contact) +
2D Compatibility (PS) -21440 + (NN) -15147 + (LL) 10644
1D Compatibility (HY) -13200 + (ID) 2150
Total energy: -131577.0 ( -94.46 by residue)
QMean score : 0.566
|
|
|