Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKEKSL---LVKAGRKFEDYKGSMNPPVYHSSTILFPTYKDYLDAADGKNIYGVVNDGIARDYSYGSVGTPTVHYFSNALAEIEGRGQALIYPSGLFALTFAILTFARAGSHVLIQDNSYYRLRRFAENELPKRRVEVTFYDPT--QDIASLIQSNTRLIMIETPGSVTFEVSNIEHIVKIAKE--HKIVTVCDNSWATPLLFRPLDYGIDVALYGVTKYIAGHSDLLMGAIIAEGEVFKLLYEICKNYGVTVQPYDCYLAHRGLRTLGTRMRKHQSTAMKVAKWLEKHSKIKKVLYPALPSHPQHELWKSYFKGASGVFSIVLDREYSCEELSCMVDHMKIFSIGASWGGCDSLILPIDRKSVS--RSVMSSDYSGSFIRIFCGLEDPEDLISDLNAALARLPCLGFQADEVGHDTKRITA |
4ITX Chain:A ((5-394)) | ----KLDTQLVNAGRSKKYTLGAVNSVIQRASSLVF-------DSVEAKK-HATRNRANGELF-YGRRGTLTHFSLQQAMCELEGGAGCVLFPCGAAAVANSILAFIEQGDHVLMTNTAYESSQDFCSKILSKLGVTTSWFDPLIGADIVKHLQPNTKIVFLESPGSITMEVHDVPAIVAAVRSVVPDAIIMIDNTWAAGVLFKALDFGIDVSIQAATKYLVGHSDAMIGTAVCNARCWEQLRENAYLMGQMVDADTAYITSRGLRTLGVRLRQHHESSLKVAEWLAEHPQVARVNHPALPGSKGHEFWKRDFTGSSGLFSFVLKKKLNNEELANYLDNFSLFSMAYSWGGYESLILANQPEHIAAIRPQGEIDFSGTLIRLHIGLEDVDDLIADLDAGFARIV------------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4ITX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -293562 for 3353 contacts (-87.6/contact) +
2D Compatibility (PS) -41944 + (NN) -23158 + (LL) 1680
1D Compatibility (HY) -27600 + (ID) 7150
Total energy: -391734.0 ( -116.83 by residue)
QMean score : 0.568
|
|
|