Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDALCLQFFYEKGVIMSILTLNNITQQFGDKILYEGVDLQLNAGEHLGLIGQNGAGKSTLIKIITGEILPDDGQIHWQKN--IHKGYLDQYVE--VDETLTIEEFLKTAYAKEYEKEEKIAFLYQTYSETFDDSLLEKAGKLQTELDQGVFYQIDTLVAEMSSGLGIDVLGLDSLLKNLSGGQRSKVILAKLLLENPDVLILDEPTNHLDDQHIQWLTQFLQDF---DGAYIVISHDQEFLDQITTHIADIEFGKITKYTGHLKQALKQKEQNRESYLRQYHAQQKQIEKTEAYIRKYKAGSRSTMAKSRQKQLDKIERLTPPASASKAVFDFPFSPIVTTLAVETTDLVIGYDRPLLAPINLTIRFGENIAIRGFNGIGKSTLLKTLIGEIEKISGDFHFPDNTKINYFSQDLYWENPLETPLQYLSSQFP--KATIKELRRQLAKAGLVNQLASEPLTTLSGGEQTKVKLAQLTMNQGNLLILDEPTNHIDQETKESLQDGIQKF----PGTVIIVSHEQEFYQDLVQRVIEIEPK 4CRM Chain:P ((99-543)) ---------------------------------------TPRPGQVLGLVGTNGIGKSTALKILAGKQKPNLGRFDDPPEWQEIIKYFRGSELQNYFTK-MLEDDIKAIIKP--QYVDNIPRA--------IKGPVQKV---GELLK-LRMEKSPEDVKRYIKILQLEN-VLKRDIEKLSGGELQRFAIGMSCVQEADVYMFDEPSSYLDVKQRLNAAQIIRSLLAPTKYVICVEHDLSVLDYLSDFVCIIYGVPSV-Y-GVVTL-PASVREGIN----IFLDGHIPA---EN--LRFRTEA----LQF------RIADA--TE-------DLQ--NDSASRAFSYPSLKKTQGDFVLNVEEGEFSDSEILVMMGENGTGKTTLIKLLAGALKPDEGQDIP--KLNVSMKPQKIAPKF-PGTVRQLFFKKIRGQFLNPQFQTDVVKPLRIDD-IIDQEVQHLSGGELQRVAIVLALGIPADIYLIDEPSAYLDSEQRIICSKVIRRFILHNKKTAFIVEHDFIMATYLADKVIVFEG-

General information: TITO was launched using: RESULT: Template: 4CRM.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain P - contact count / total energy / energy per contact / energy per residue : 2112 52138 24.69 120.69 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain P : 0.64 3D Compatibility (PKB) : 24.69 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.353

(partial model without unconserved sides chains): PDB file : Tito_4CRM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CRM-query.scw PDB file : Tito_Scwrl_4CRM.pdb: