Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGCGASRKVVPGPPALAWAKHEGQNQAGVGGAGPGPEAAAQAAQRIQVARFRAKFDPRVLARYDIKALIGTGSFSRVVRVEQKTTKKPFAIKVMETRE---REGREACVSELSVLRRVSHRYIVQLMEIFETEDQVYMVMELATGGELFDRLIA---------------QG----------------SF--------TERDAVRILQMVADGIRYLHALQITHRNLKPENLLYYHPGEESKILITDFGLAYSG---KKSGDWTMKTLCGTPEYIAPEVLLR--KPYTSAVDMWALGVITYALLSGFLPFDDESQTRLYRKILKGKYNYTGEPWPSISHLAKDFIDKLLILEAGHRMSAGQALDHPWVITMAAGSSMKNLQRAISRNLMQRASPHSQSPGSAQSSKSHYSHKSRHMWSKRNLRIVESPLSALL |
3HKO Chain:A ((24-335)) | ----------------------------------------------------------LQKKYHLKGAIGQGSYGVVRVAIENQTRAIRAIKIMNKNKIRQ-KDVERIKTEVRLMKKLHHPNIARLYEVYEDEQYICLVMELCHGGHLLDKLNVFIDDSTGKCAMDVVKTQICPCPECNEEAINGSI-FRESLDFVQREKLISNIMRQIFSALHYLHNQGICHRDIKPENFLFSTNK-SFEIKLVDFGLSKEFYKLNNG--------AGTPYFVAPEVLNTTNESYGPKCDAWSAGVLLHLLLMGAVPFPGVNDADTISQVLNKKLCFENPNYNVLSPLARDLLSNLLNRNVDERFDAMRALQHPWISQFSDKIYKMS------------------------------------------------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3HKO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -189799 for 1961 contacts (-96.8/contact) +
2D Compatibility (PS) -27185 + (NN) -12164 + (LL) 6180
1D Compatibility (HY) -19200 + (ID) 4050
Total energy: -246218.0 ( -125.56 by residue)
QMean score : 0.512
|
|
|