Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQNTYCLLGNPNTGKTSLFNALTGSYEYVGNWSGVTVEKKVGTLR-SKTGKLIDLPGIYDLNPISRDETVVTRFLLEEKFDCMLNIVDSSQIERNLNLTIQLLEFGAPVVMGLNMIDVAAGRGIHLNIQNLAKKLRIPILPVVARSGKGTDDILTTLSEKHVAPAIPLVLP-YGEPAEKAIAEIQALTKDIIPTKQSRWLAVQFLSKNEVTEEFLTTSP-MFEQLKDIRSDLEIALAGKLENHFHQVRVNYIHDICLTSVEYTRNSDIPLSDKLDKIFTHKFFGIPIFLGIMWLIFQITFTWVGAPLSDLLDGFIGGSLTDWVTSFLTTIGASGFITDLVADGIIAGVGGVLVFVPQILVIFFFISVLEDSGYMARIAVVMDRVMEIFGLNGKAFIPMIIGFGCNVPGIMAARSIEESKERTLTILVSPFMSCSARLPVYALFVGVFFEKYQALVVLSLYVIGILMALIVTKILSKTLLKKDNSVFVVELPPYRLPSLKTLWRSTWEKGKGFLRKAGTFIFAGSVIIWLLNYAGPSGLDVPMGESFLAIIGGMLAPLLVPLGFGTWQAGATLIPGFLAKEVVVSTMAIIYAVGESSMGSIVSTFYTPLSAYCFMLFILLYIPCLATVAAIRKETSSWKWTAFAVAYPLITAYVLVFLVYQIGSLFV |
3B1W Chain:C ((7-262)) | ------ALIGNPNSGKTSLFNLITGHNQRVGNWPGVTVERKSGLVKKNKDLEIQDLPGIYSMSPYSPEAKVARDYLLSQRADSILNVVDATNLERNLYLTTQLIETGIPVTIALNMIDVLDGQGKKINVDKLSYHLGVPVVATSALKQTGVDQVVKKAAHTTTSTV--LAFPIYDDRLEAAISQILEVLGNSVPQRSARFYAIKLFEQDSLVEAELDLSQFQRKEIEDIIRITEEIFTEDAESIVINERYAFIERVCQMAES--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3B1W.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -163440 for 2030 contacts (-80.5/contact) +
2D Compatibility (PS) -27024 + (NN) -10346 + (LL) 33604
1D Compatibility (HY) -16000 + (ID) 4450
Total energy: -187656.0 ( -92.44 by residue)
QMean score : 0.513
|
|
|