Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VAKEYDVVILGGGTGGYVAAIQAAKNGQKVAVVEKGKVGGTCLHRGCIPTKALLRSAEVLQT-VKKASEFGISVEGTAGINFLQAQERKQAIVDQLEKGIHQLFKQGKIDLFVGTGTILGPSIFSPTAGTISVEFEDGSENEMLIPKNLIIATGSKPRTLSGLTIDEEHVLSSDGALNLETLPKSIIIVGGGVIGMEWASMMHDFGVEVTVLEYADRILPTEDKEVAKELARLYKKKKLNMHTSAEVQAASYKKTDTGVEIKAII--KGEEQTFTADKILVSVGRSANTENIGLQNTDIA-TENGFIQVNDFYQTKESHIYAIGDCIPTIQLAHVAMEEGTIAANYIAGKAAEKL-DYDLVPRCIYTSTEIASVGITEEQAKERGHEVKKGKFFFRGIGKALVYGESDGFIKIIADKKTDDILGVSMIGPHVTDMISEAALAQVLNATPWEVGNTIHPHPTLSESFREAALAVDGNAIHG |
4M52 Chain:C ((5-465)) | ---HYDVVVLGAGPGGYVAAIRAAQLGLSTAIVEPKYWGGVCLNVGCIPSKALLRNAELVHIFTKDAKAFGISGEVT--FDYGIAYDRSRKVAEGRVAGVHFLMKKNKITEIHGYGTF-------ADANTLLVDLNDGG-TESVTFDNAIIATGSSTRLVPGTSLSANVVTYEEQILSRE-LPKSIIIAGAGAIGMEFGYVLKNYGVDVTIVEFLPRALPNEDADVSKEIEKQFKKLGVTILTATKVESIA----DGGSQVTVTVTKDGVAQELKAEKVLQAIGFAPNVEGYGLDKAGVALTDRKAIGVDDYMRTNVGHIYAIGDVNGLLQLAHVAEAQGVVAAETIAGAETLTLGDHRMLPRATFCQPNVASFGLTEQQARNEGYDVVVAKFPFTANAKAHGVGDPSGFVKLVADAKHGELLGGHLVGHDVAELLPELTLAQRWDLTASELARNVHTHPTMSEALQECFHGLVGHMIN- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4M52.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -242510 for 4002 contacts (-60.6/contact) +
2D Compatibility (PS) -50248 + (NN) -22186 + (LL) 772
1D Compatibility (HY) -31200 + (ID) 9150
Total energy: -354522.0 ( -88.59 by residue)
QMean score : 0.549
|
|
|