Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSTIRTTQMQVDHKTSLIIDAVEKFGGEVRLVGGCVRDSILQRKVHDIDLATNLLPSQVIEALKFHNIKAIPTGLKHGTITAVLNQRSFEITTLR-HDVKCDGRHAKVEFTDNW----RADASRRDFTFNALYANKYGH-IYDYFGGTQDLKARRLNFIGNAEDRIKEDYLRILRAFRFHAKICIGDMSDKILNVCKKHAHKIYNLSGERIRDEMFKLLEYDAPVPTLKSMQKSDVLQKIIPKEVKCEILSSAFLFGTDALVKLALLLRTTEKNDRLSLGEYVSKFLRLSNKQKKKLLFLLSNNIKTELTEKEQRKYISLLGKELYCDLVKVCGVESGANVDEYISLAQVLNIQKFPLSGDDLINIGYQPGKNLGRNLKLLRQHWEDSSYTLTKKELMLYAKSLL |
3AQN Chain:B ((28-250)) | ---------------------LNKAGYEAWLVGGGVRDLLLGKKPKDFDVTTNATPEQVRKL--FRNCRLV--GRRFRLAHVMFGPEIIEVATFRG----------------NIFGSIEEDAQRRDFTINSLYYSVADFTVRDYVGGMKDLKDGVIRLIGNPETRYREDPVRMLRAVRFAAKLGM-RISPETAEPIPRLATLLNDIPPAHLFEESLKLLQAGYGYETYKLLCEYHLFQPLFPTITRYFTENGDSPMERIIEQVLKNTDTRIHNDMRVNPAFLFAAMFWYPLLETAQKIAQESGLTYHDAFALAMNDVLDEACRSLAIPKRLTTLTRDIWQLQLRMSRRQGKRAWKLLEHPKFRAAYDLLALRAEVERNAELQRLVKWWGEFQVSAPPDQKGML-- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3AQN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -109283 for 1456 contacts (-75.1/contact) +
2D Compatibility (PS) -20034 + (NN) 1066 + (LL) 2924
1D Compatibility (HY) -13200 + (ID) 3400
Total energy: -141927.0 ( -97.48 by residue)
QMean score : 0.512
|
|
|