Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEDSSALPWSINRDDYELQEVIGSGATAVVQAAYCAPKKEKVAIKRINLEKCQTSMDELLKEIQAMSQCHHPNIVSYYTSFVVKDELWLVMKLLSGGSVLDIIKHIVAKGEHKSGVLDESTIATILREVLEGLEYLHKNGQIHRDVKAGNILLGEDGSVQIADFGVSAFLATGGDITRNKVRKTFVGTPCWMAPEVMEQVRGYDFKADIWSFGITAIELATGAAPYHKYPPMKVLMLTLQNDPPSLETGVQDKEMLKKYGKSFRKMISLCLQKDPEKRPTAAELLRHKFFQKAKNKEFLQEKTLQRAPTISERAKKVRRVPGSSGRLHKTEDGGWEWSDDEFDEESEEGKAAISQLRSPRVKESISNSELFPTTDPVGTLLQVPEQISAHLPQPAGQIATQPTQVSLPPTAEPAKTAQALSSGSGSQETKIPISLVLRLRNSKKELNDIRFEFTPGRDTAEGVSQELISAGLVDGRDLVIVAANLQKIVEEPQSNRSVTFKLASGVEGSDIPDDGKLIGFAQLSIS |
4JDI Chain:A ((74-334)) | --------------SYLDNFIKIGEGSTGIVCIATVRSSGKLVAVKKMDLRKQ-QRRELLFNEVVIMRDYQHENVVEMYNSYLVGDELWVVMEFLEGGALTDIVTH---------TRMNEEQIAAVCLAVLQALSVLHAQGVIHRDIKSDSILLTHDGRVKLSDFGFCAQVSKEV-----PRRKSLVGTPYWMAPELIS-RLPYGPEVDIWSLGIMVIEMVDGEPPYFNEPPLKAMKMIRDNLPPRLKN-------LHKVSPSLKGFLDRLLVRDPAQRATAAELLKHPFLAKAGPPA------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4JDI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -130400 for 2119 contacts (-61.5/contact) +
2D Compatibility (PS) -28223 + (NN) -16054 + (LL) 14832
1D Compatibility (HY) -25600 + (ID) 5150
Total energy: -190595.0 ( -89.95 by residue)
QMean score : 0.249
|
|
|