Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MANSSKERLCGAGAPLGHANGFPPSVYPFAFSGGIRRSPPFEVLANGGFFRSFPTDLPKEMASLSLTMGAAERSAHSDCISTVETQSTSSEEMVPSSPSPPPPPRVYKPCFVCNDKSSGYHYGVSSCEGCKGFFRRSIQKNMVYTCHRDKNCQINKVTRNRCQFCRLQKCFQVGMSKEAVRNDRNKKKKEIKEEVVLPDSYEMPPEMEELIQKVSKAHQETFPSLCQLGKYTTNSSADQRVQLDLGLWDKFSELSTKCIIKIVEFAKRLPGFTTLTIADQITLLKSACLDILMLRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFSFADQLLPLEMDDTETGLLSAICLICGDRMDLEEPEKVEKLQEPLLEALKFYARRRRPDKPYMFPRMLMKITDLRGISTKGAERAITLKLEIPGPMPPLIREMLENPEAFEDGAATPKPSERSSSESSNGSPTGEDSSGSKTP |
1XAP Chain:A ((28-262)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AELDDLTEKIRKAHQETFPSLCQLGKYTTNSSADHRVRLDLGLWDKFSELATKCIIKIVEFAKRLPGFTGLTIADQITLLKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFTFANQLLPLEMDDTETGLLSAICLICGDRQDLEEPTKVDKLQEPLLEALKIYIRKRR---PHMFPKILMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMLEN------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 1XAP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -137304 for 1818 contacts (-75.5/contact) +
2D Compatibility (PS) -25140 + (NN) -19462 + (LL) 8248
1D Compatibility (HY) -32400 + (ID) 10050
Total energy: -216108.0 ( -118.87 by residue)
QMean score : 0.795
|
|
|