Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MIAQLPSELLSLQLPLRIRIGDAQAFDLGPDPQVTMVIRDPSLLTEITHPSLDALGKAYVEKRLDIEGPISQVIGIGDALSEALGEPDGGAPPVRESHDKDTDAEAIHYHYDLSNDFYQLWLDPEMVYSCAYFETGKEDLATAQLAKLRHLCRKLRLQPGEKLLDVGCGWGGLARLAAREFGVEVTGITLSKEQLALGRERVKAEGLEDRVTLKLLDYRDLPRDGRFDKVVSVGMFEH-------VGHANLGLYFQQLYEAVRPGGLVMNHGIT-SRYTDGRPVGKGAG-------DFIDRYVFPHGELPHLSLAVARMSEAGLEVVDVESLRLHYARTLDFWSANLEARLKEAARLVPEETLRIWRLYLAGCAYGFKRGWINLHQILAIRPHEDGSHELPWSRRDLYA |
| 1KPI Chain:A ((18-302)) | --------------------------------------------------------------------------------------------------------EAVRSHYDKSNEFFKLWLDPSMTYSCAYFERPDMTLEEAQYAKRKLALDKLNLEPGMTLLDIGCGWGSTMRHAVAEYDVNVIGLTLSENQYAHDKAMFDEVDSPRRKEVRIQGWEEF--DEPVDRIVSLGAFEHFADGAGDAGFERYDTFFKKFYNLTPDDGRMLLHTITIPDKEEAQELGLTSPMSLLRFIKFILTEIFPGGRLPRISQVDYYSSNAGWKVERYHRIGANYVPTLNAWADALQAHKDEAIALKGQETCDIYMHYLRGCSDLFRDKYTDVCQFTLVK------------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 1KPI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -162900 for 2192 contacts (-74.3/contact) +
2D Compatibility (PS) -28924 + (NN) -8639 + (LL) 6072
1D Compatibility (HY) -17200 + (ID) 4850
Total energy: -216441.0 ( -98.74 by residue)
QMean score : 0.560
|
|
|