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



Input alignment information:
Query sequence--------------------------------------------------------------------------------PPSATEKCAYTIYRVASKNGLK--------ALVREGDYIAYKNWDQEIHGVQVHFDG---ECNPKYKSDVYVF---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4RKN Chain:A ((43-702))MQMTKEAREIIAHPKGTKESRGVISLQDYIVEEQAMYDWLFKNHPIFTKYGGKTVGKLVVKDRGEEWIEEGRGNDFSKASKRSGGEGFSSMMYRVARNSTLQYPNKFIGPEKCGECHPAQYETWSRSRHATTIRFPGEHPEVNNKLNDPVFDKDTASILPQGITPDVVYCTVGHIRTKFGFFDAWLLRGTYHVEGGLLKNGTGQIVAGGNQWQRTWALNLSPEVAKKIKKWVPDFPVTLEEYGDNGGYVRGLASYAAKYKKSMSFQASTSYCEVCHPWKFDFKNESEFYAALGNAKELQKHTISKGVSCEECHGAGGHLEGGSGLLISNCERCHQRFSYSPDLMRNNPLNAGKPDLALSSKFKSMGPGCGSEGSQTYFTAHYEKGMRCATCHDPHDVTGNVTGEKGIKGVSYNSEQGYLSSLYSKPKLKKECTDCHKEQAYIQSKADTHSKNSCASCHMPFMMSCENFYAIQFQDQAGFDTQRRAHIWKIDVDPARKSLVAGSTSKDPRDGKDWHFERNEEGRNFVDLMWACARTTWADKDQAEAKGCHSPVVSELKETLHFKDQKQVYNEVMGWQTPVKDKFTQVKVGIQGLYSLLEVKKLAPSDKTRVYELIEKAQDTVDLIEKDGSWGMHGFKYTKQRLDAAVEYINEAQRIMKKSL


General information:
TITO was launched using:
RESULT:

Template: 4RKN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 141 7820 55.46 126.12
target 2D structure prediction score : 0.50
Monomeric hydrophicity matching model chain A : 0.56

3D Compatibility (PKB) : 55.46
2D Compatibility (Sec. Struct. Predict.) : 0.50
1D Compatibility (Hydrophobicity) : 0.56
QMean score : 0.092

(partial model without unconserved sides chains):
PDB file : Tito_4RKN.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4rkn-query.scw
PDB file : Tito_Scwrl_4RKN.pdb: