Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQNTYCLLGNPNTGKTSLFNALTGSYEYVGNWSGVTVEKKVGTLR--SKTGKLIDLPGIYDLNPISRDETVVTRFLLEEKFDCMLNIVDSSQIERNLNLTIQLLEFGAPVVMGLNMIDVAAGRGIHLNIQNLAKKLRIPILPVVARSGKGTDDILTTLSEKHVAPAIPLVLPYGEPAEKAIAEIQALTKDIIPTKQSRWLAVQFLSKNEVTEEFLTTSPMFEQLKDIRSDLEIALAGKLENHFHQVRVNYIHDICLTSVEYTRNSDIPLSDKLDKIFTHKFFGIPIFLGIMWLIFQITFTWVGAPLSDLLDGFIGGSLTDWVTSFLTTIGASGFITDLVADGIIAGVGGVLVFVPQILVIFFFISVLEDSGYMARIAVVMDRVMEIFGLNGKAFIPMIIGFGCNVPGIMAARSIEESKERTLTILVSPFMSCSARLPVYALFVGVFFEKYQALVVLSLYVIGILMALIVTKILSKTLLKKDNSVFVVELPPYRLPSLKTLWRSTWEKGKGFLRKAGTFIFAGSVIIWLLNYAGPSGLDVPMGESFLAIIGGMLAPLLVPLGFGTWQAGATLIPGFLAKEVVVSTMAIIYAVGESSMGSIVSTFYTPLSAYCFMLFILLYIPCLATVAAIRKETSSWKWTAFAVAYPLITAYVLVFLVYQIGSLFV |
2WJI Chain:A ((1-160)) | MKSYEIALIGNPNVGKSTIFNALTGENVYIG-----TVEKKEGEFEYNGEKFKVVDLPGVYSLTANSIDEIIARDYIINEKPDLVVNIVDATALERNLYLTLQLMEMGANLLLALNKMDLAKSLGIEIDVDKLEKILGVKVVPLSAAKKMGIEELKKAIS-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2WJI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -110070 for 1172 contacts (-93.9/contact) +
2D Compatibility (PS) -16655 + (NN) -5830 + (LL) 41900
1D Compatibility (HY) -16400 + (ID) 3150
Total energy: -110205.0 ( -94.03 by residue)
QMean score : 0.528
|
|
|