Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAASSLEQKLSRLEAKLKQENREARRRIDLNLDISPQRPRPTLQLPLANDGGSRSPSSESSPQHPTPPARPRHMLGLPSTLFTPRSMESIEIDQKLQEIMKQTGYLTIGGQRYQAEINDLENLGEMGSGTCGQVWKMRFRKTGHVIAVKQMRRSGNKEENKRILMDL--DVVLKSH-DCPYIVQCFGTFITNTDVFIAMELM-GTCAEKLKKRMQGPIP--ERILGKMTVAIVKALYYLKEKHGVIHRDVKPSNILLDE-RGQIKLCDFGISGRLVDSKAKTRS-AGCAAYMAPERIDPPDPTKPDYDIRADVWSLGISLVELATGQFPYKNCKTDFEVLTKV-LQEEPPLLPGHMGFSGDFQSFVKDCLTKDHRKRPKYNKLLEHSFIKRYETLEVDVASWFKDVMAKTESPRTSGVLSQPHLPFFR |
4BIE Chain:A ((27-280)) | -----------------------------------------------------------------------------------------------------------------------------LGKGTYGIVYAGRDLSNQVRIAIKEI-----PE--------LHEEIALHKHLKHKNIVQYLGSFSENGFIKIFMEQVPGGSLSALLRSKWGPLKDNEQTIGFYTKQILEGLKYLHDNQ-IVHRDIKGDNVLINTYSGVLKISDFGTSKRLAG------EFTGTLQYMAPEIIDK---GPRGYGKAADIWSLGCTIIEMATGKPPFYELGEPQAAMFKVGMFKVHPEIPESM--SAEAKAFILKCFEPDPDKRACANDLLVDEFLKV------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4BIE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -131921 for 1886 contacts (-69.9/contact) +
2D Compatibility (PS) -24858 + (NN) -20174 + (LL) 9624
1D Compatibility (HY) -15600 + (ID) 4150
Total energy: -187079.0 ( -99.19 by residue)
QMean score : 0.468
|
|
|