Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMSRLNPRQQEAVNYVGGPLLVLAGAGSGKTSVITRKIAYLVQQCGIRAQYIVAVTFTNKAAREMKERVGTLLRGGEGKGLTVSTFHNLGLNIIRKEHERLGYKPGFSIFDESDIKALLTDIMQKEYSGDDG--VDEIKNYIGAWKNDLILPEEALEKARNPKEQTAAIVYLHYQRTLRAYNAVDFDDLILQPVKLFQEHPDVLQKWQNKVRYMLVDEYQDTNASQYLLVKLLVKDRAQFTVVGDDDQSIYAWRGARPENLMQLKEDFPSLKVVMLEQNYRSTSRILKCANVLIANNPHVFEKQLWSEMGHGDPIRVIRCRNEDAEAERIAMEILTLHLRTERPYSEFAILYRGNHQAKLMELKLQHHQIPYRLSGGTSFFGRQEVKDLMSYFRLLVNPDDDNAFLRVINVPRREIG---SATLEKLGNYATQRKISMYAACDEMGLAEHLDSRFHERLQRFKRWMDGIRRQCAENEPIAVLRSMVMDIDYENWLRQNASSDKVAEFRMSNVWFLIEALKNTLERDEEGDMTIEQAIAKLVLRDMLERQQEEEEGAEGVQMMTLHASKGLEFPYVFIMGMEEEILPHRSSI-EADTVEEERRLAYVGITRARQNLAMTFAAKRKQYGEIIDCSPSRFLDELPPEDLEWEGMEDAPQEVKAAKGNAALADIRAMLKR
1UAA Chain:A ((2-640))--RLNPGQQQAVEFVTGPCLVLAGAGSGKTRVITNKIAHLIRGCGYQARHIAAVTFTNKAAREMKERVGQTLGRKEARGLMISTFHTLGLDIIKREYAALGMKANFSLFDDTDQLALLKELTEGLIED-DKVLLQQLISTISNWKNDLKTPSQAAASAIGERDRIFAHCYGLYDAHLKACNVLDFDDLILLPTLLLQANEEVRKRWQNKIRYLLVDEYQDTNTSQYELVKLLVGSRARFTVVGDDDQSIYSWRGARPQNLVLLSQDFPALKVIKLEQNYRSSGRILKAANILIANNPHVFEKRLFSELGYGAELKVLSANNEEHEAERVTGELIAHHFVNKTQYKDYAILYRGNHQSRVFEKFLMQNRIPYKISGGTSFFSRPEIKDLLAYLRVLTNPDDDSAFLRIVNTPKR---EIGPATLKKLGEWAMTRNKSMFTASFDMGLSQTLSGRGYEALTRFTHWLAEIQRLAER-EPIAAVRDLIHGMDYESWLYETSPSPKAAEMRMKNVNQLFSWMTEMLEGSELDE---PMTLTQVVTRFTLRDMMEREEELDQVQLMTLHASKGLEFPYVYMVGMEEGFLPHQSSIDED-NIDEERRLAYVGITRAQKELTFTLCKERRQYGELVRPEPSRFLLELPQDDLIW----------------------------


General information:
TITO was launched using:
RESULT:

Template: 1UAA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -298530 for 5300 contacts (-56.3/contact) +
2D Compatibility (PS) -67938 + (NN) -42468 + (LL) 2828
1D Compatibility (HY) -60800 + (ID) 17200
Total energy: -484108.0 ( -91.34 by residue)
QMean score : 0.465

(partial model without unconserved sides chains):
PDB file : Tito_1UAA.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1UAA-query.scw
PDB file : Tito_Scwrl_1UAA.pdb: