Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDTHIPLPERLRPRDLSEIIGQDHLLGEHAPLRQMIDQGHLPSIIFWGPPGVGKTTIALLLAQAIDR-----PFVSLSALNT-GVKELREVIAE----S---GDLLTPVVFIDEIHRFNKSQQDALLGAVEK--GKITLIGATTENPSFEVNSALLSRCQVYTLNSLDSEAIQTLLNNALQNDKFLKERYIHIEEYDALLQFAAGDARKALNLLDLIASTFEPEVENTITNAVVVK-VAQQNIARYDKSGEQHYDLVSAFIKSIRGSDPDAALYWM-ARMLKGGEDPVFIARRMLIAASEDIGNSNPNALLLAGECFRSVQAVGMPEARIILGQTAVYLATSAKSNSTYLAINKALELAEKTANLPVPLHLRNAPTKLMKQQGYGINYLYPHDYPEHFVLQDYLPPELKGTKLYESARNKREVEGERLQQRRWQQEQ 1SXJ Chain:B ((7-274)) ---LQLPWVEKYRPQVLSDIVGNKETID---RLQQIAKDGNMPHMIISGMPGIGKTTSVHCLAHELLGRSYADGVLELNASDDRGIDVVRNQIKHFAQKKLHLPPGKHKIVILDEADSMTAGAQQALRRTMELYSNSTRFAFACNQ--SNKIIEPLQSQCAILRYSKLSDEDVLKRLLQIIKLED----VKYTNDGLEAIIFTAEGDMRQAINNLQSTVAGHG-----LVNADNVFKIV-----------DSPHPLIVKKM---LLASNLEDSIQILRTDLWKKGYSSIDIVTTSFRVT-------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1SXJ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1150 -21815 -18.97 -86.91 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -18.97 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.558

(partial model without unconserved sides chains): PDB file : Tito_1SXJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SXJ-query.scw PDB file : Tito_Scwrl_1SXJ.pdb: