Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTRGRKILTWSLASLVLLLAALVVFIATFDWNLIKPTLNEKVSAALNRPFAINGNLAVAWRREEGEEGWRAWIPWPRFSAEDITLGNPEWTAGKTKASEFASLERIEFRLAPLPLL-WQTIRIPQIKLTQPRAELLRLADGRANWDFDLPASDSDEPSAWQLDIREIGFDKGSVSLDDQRLKTRLEVLVDPLGKPVPFGQLAGKALATGDAANAQDYVFGWKVKGTYKGQALAGSGKVGGMLALQDASKPFPLQAEVSAGSTRAAVVGTLTDPLNLGALDLRLKLSGTSMANLYPLTGITLPDTPAYSTDGHLLARLKEEGGALFRYENFNGKVGASDLHGSLTFVARQPRPKLSGKLTSEQLRFADLGPLIGADSNAEKQKRGQTSRQPGDKVLPVEEFRTERWRDMDADVEFTGKRIVHSDQLPISDLYTHLVLNDGLLRLEPLRFGVAGGKLESDIRLDGGKQPMQSRVKMSARGFKLKQLFPGFAPMQTSFGELNGDASLSGSGNSVAKILGGADGELKMLINDGAISKGLTEIAGLNVGNYLVTKLFGDDEVKINCAAADFGLQKGLMTSRLFVFDTENALVNVDGTVNFANEKLDLDVTPHSKGLRIFSLRSPLYVRGTFAKPDAGVHAGPLVARGAGMIALGVTVGPAASLLALVAPSKSDDNQCTALLQRMRLPAKVPAGKR |
2KIX Chain:A ((1-33)) | -----------------------------------------------------------------------------------------------MLEPFQILSISSFILSALHFIAWTIGHLNQIKR---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2KIX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) 1730 for 122 contacts (14.2/contact) +
2D Compatibility (PS) -3419 + (NN) -819 + (LL) 36240
1D Compatibility (HY) -2800 + (ID) 450
Total energy: 30482.0 ( 249.85 by residue)
QMean score : -0.213
|
|
|