Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MADYLVIVESPAKAKTIEKYLG-------------------KKFKVKASMGHVRDLPKSQ--MGVDTENDYEPRYITIRG-KGPVLKELKQAAKKAKKVYLAADPDREGEAIAWHLANSLELDQSDKLRVVFNEITKEAVKESFKTPRKIDMDLVNAQQARRILDRLVGYNISPILWKKVK-KGLSAGRVQSIALRIIIDREKEINNFKPEEYWTIDGNFLKGKKKFQANFYGVNGKKKKLSTADDVKEVMSAIKGKSFDVTDVTKKERLRNPAAPFTTSSLQQEAARKLNYRTRKTMMLAQQLYEGITLGKQGTVGLITYMRTDSTRIADSAILEASNYIKETYGPEFSRNHKRSDKNAKGAQDAHEAIRPTS---------AMRSPQEVKEYLTRDQLRLYRLIWERFIASQMTPAVLDTMRVDLDNNGVNFRANGSKIKFHGFMKVYVESNDDNTEEKENILPDLKKGDKVQSESLEQRQHFTQPPPRYTEARLVKTLEEIGIGRPSTYSPTLDTIQRRNYVSLTNKRFIPTELGEIVNEMIEEYFPEILDVKFTANMESELDEVEHGEVEWVKVIDEFYKRFEPNVIKADAEMEKIEIKDEPAGIDCDLCGAPMVYKMGKYGKFLACSRFPDCRNTKAIVKEIGVTCPKCEKGHVIERKSKKKRIFYGCDRYPDCDYVSWDKPVERACPKCEKRALVEKKLKKGVQVQCTNCDYKESTQQ |
1GKU Chain:B ((1-1054)) | AAAAAAAAAAAAAAAAAAASLCLFPEDFLLKEFVEFFRKCVGEPRAIQKMWAKRILRKESFAATAPTGVGKTSFGLAMSLFLALKGKRCYVIFPTSLLVIQAAETIRKYAEKAGVGTENLIGYYHGRIPKREKENFMQNLRNFKIVITTTQFLSKHYRELGHFDFIFVDDVDAILKASKNVDKLLHLLGFHYDLKTKSWVGEARGCLMVSTATAKKGKKAELFRQLLNFDIGSSRITVRNVEDVAVNDESISTLSSILEKLGTGGIIYARTGEEAEEIYESLKNKFRIGIVTATKKGDYEKFVEGEIDHLIGTAHRGLDLPERIRFAVFVGCPSFRVTIEDIDSLSPQMVKLLAYLYRNVDEIERLLPAVERHIDEVREILKKVMGKERPQAKDVVVREGEVIFPDLRTYIQGSGRTSRLFAGGLTKGASFLLEDDSELLSAFIERAKLYDIEFKSIDEVDFEKLSRELDESRDRYRRRQEFDLIKPALFIVESPTKARQISRFFGKPSVKVLDGAVVYEIPMQKYVLMVTASIGHVVDLITNRGFHGVLVNGRFVPVYASIKDNSRSRIEALRKLAHDAEFVIVGTDPDTEGEKIAWDLKNLLS-GCGAVKRAEFHEVTRRAILEALESLRDVDENLVKAQVVRRIEDRWIGFVLSQKLWERFNNRNLSAGRAQTLVLGWIIDRFQESRERRKIAIVRDFDLVLEHDEE-----------------------------EFDLTIKLVEEREELRTPLPPYTTETMLSDANRILKFSVKQTMQIAQELFEN---------GLITYHRTDSTRVSDVGQRIAKEYLGDDFVG-----------REWGESGAHECIRPTRPLTRDDVQRLIQEGVLVVEGLRWEHFALYDLIFRRFMASQCRPFKVVVKKYSIEFDGKTAEEERIVRAEGRAYELYRAVWVKNELPTG-------------TFRVKAEVKSVPKVLPFTQSEIIQMMKERGIGRPSTYATIVDRLFMRNYVVEKYGRMIPTKLGIDVFRFLVRRYAKFVSEDRTRDLESRMDAIERGELDYLKALEDMYAEIKSID-------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 1GKU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -57332 for 4023 contacts (-14.3/contact) +
2D Compatibility (PS) -52103 + (NN) -8296 + (LL) 11716
1D Compatibility (HY) -33200 + (ID) 7950
Total energy: -147165.0 ( -36.58 by residue)
QMean score : 0.377
|
|
|