Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKCARLNDRIIHLHTYSREHYQFLFEEGIKGHLFCSHCGKPVLLRLNIADPPEFIHRQPGDFPACEEACEPKPSKEGKKEDDQESGVIRLPKGKAIAADPSPAVTEWHRPRSIKPGTPFVPKTIEPDTSLFPSVGLNTDQLKAVTETEGPLLVLAGAGSGKTRVLTARAAHMIEHLGIPPENMLLVTFTTKAVAEMKERMANQYGLQPAKVRRIVTGTFHSLFYKILYHS-NSAKWNGEHLLKMEWQREQYIKKALYEEGIDEKESPVDQALQQIGFWKNTYVPNERIPLKDE-WEKQVYRLYEHYERQKKEHSQFDFDDMASACYELFIERPDLLEQYQSRFTYILIDEFQDINPVQYKIMQMLASPEQNLCCVGDDDQSIYAFRGSNPSFILDFQKDYPGAKTIYLTANYRSTHPIVSSADIVVKKNKNRYAKTLEAARDDIQVPVLFY-PYDEEEEATMVVSDIKEKIQNGASP-EDFAVLYRTNSGGRAIYERLHQSSIPYTADRGVQSFYSRRIVRQILAYLYASQNEDDTEAIKHLL--PALFLKQSALNTLKALSITEDCTMIKALAKLPDLKPF------------QLDKIKKIVPFFASLRTMKPVEAITFAEGKMGFSEYLK-KRGNEG-NKLEKGSDDLRDIKVVAKKFKTIPD------------FLAHVDHMRAAEKNRTDEHGVQLMTIHRSKGLEFKTVYVLGTVDGSIPHDFSLETARKGDEAALEEERRLLYVAMTRAKQHLYLSCPANRRGKTANRSRFLYPLLQKARQPLHH 1PJR Chain:A ((12-623)) ---------------------------------------------------------------------------------------------------------------------------------------LNKEQQEAVRTTEGPLLIMAGAGSGKTRVLTHRIAYLMAEKHVAPWNILAITFTNKAAREMRERVQSLLG---GAAEDVWISTFHSMCVRILRRDIDRIGINRNFSILDPTDQLSVMKTILKEKNIDPKKFEPRTILGTISAAKNELLPPEQFAKR--YYEKVVSDVYQEYQQRLLRNHSLDFDDLIMTTIQLFDRVPDVLHYYQYKFQYIHIDEYQDTNRAQYTLVKKLAERFQNICAVGDADQSIYRWRGADIQNILSFERDYPNAKVILLEQNYRSTKRILQAANEVIEHNVNRKPKRIWTENPEGK-PILYYEAMNEADEAQFVAGRIREAVERGERRYRDFAVLYRTNAQSRVMEEMLLKANIPYQIVGGLK-FYDRKEIKDILAYLRVIANPDDDLSLLRIINVPKRGIGASTID------------LFEALGELEMIGLGAKAAGALAAFRSQLEQWTQLQEYVSVTELVEEV------LDKSGYREMLKAERTIEAQSRLE----NLDEFLSVTKHFENVSDDKSLIAFLTDLALIS--------------GDAVMLMTLHAAKGLEFPVVFLIGMEEGIFPHNRSLEDD-----DEMEEERRLAYVGITRAEEELVLTSAQMR------------------------

General information: TITO was launched using: RESULT: Template: 1PJR.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 : 2666 -213078 -79.92 -386.01 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -79.92 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.448

(partial model without unconserved sides chains): PDB file : Tito_1PJR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1PJR-query.scw PDB file : Tito_Scwrl_1PJR.pdb: