Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGSATKYQRTLFEPEHELFRESYRAFLDRHVAPYHDEWEKTKIVDRGVWLEAGKQGFLGMAVPEEYGGGGNADFRYNTVITEETCAGRYSGIGFGLHN-DIVAPYLLALATEEQKRRWFPNFCTGELITAIAMTEPGTGSDLQGITTRAVKHGDHYVLNGSKTFITNGINSDLVIVVAQTDPEKGAQGFSLLVVERGMAGFERGRQLDKIGLDAQDTAELSFTDVAVPAENLLGQEGMGFIYLMQNLPQERISIAIMAAAGMESVLEQTLQYAKERKAFGRSIGSFQNSRFLLAELATEATVVRIMVDEFIKLHLAGK--LTAEQAAMAKWYATEKQVYLNDRCLQLHGGYGYMREYPVARAYLDSRVQTIYGGTTEIMKEIIGRGLGV |
3OIB Chain:A ((29-400)) | --------------EREALRKTVRAFAEREVLPHAHEWERAGEIPRELHRKAAELGLLGAGFPEDAGGSGGDGADPVVICEEMHYAGSPGGVYASLFTCGIAVPHMIASGDQRLIDTYVRPTLRGEKIGALAITEPGGGSDVGHLRTRADLDGDHYVINGAKTYITSGVRADYVVTAARTG-GPGAGGVSLIVVDKGTPGFEVTRKLDKMGWRSSDTAELSYTDVRVPVANLVGSENTGFAQIAAAFVAERVGLATQAYAGAQRCLDLTVEWCRNRDTFGRPLISRQAVQNTLAGMARRIDVARVYTRHVVERQLAGETNLIAE-VCFAKNTAVEAGEWVANQAVQLFGGMGYMAESEVERQYRDMRILGIGGGTTEILTSLAAKTLG- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3OIB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -192158 for 3289 contacts (-58.4/contact) +
2D Compatibility (PS) -39853 + (NN) -17775 + (LL) 1076
1D Compatibility (HY) -17600 + (ID) 7250
Total energy: -273560.0 ( -83.17 by residue)
QMean score : 0.438
|
|
|