Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------MIEISLNKINKSYGFNP---ILKDFSFEIKSGERIALIGPNGCGKTTT-----LRIIMGEDIDSGSINIRKGA-------------RVGYLSQ-----IPNKEKDNVKA-KEVFYRGVKELIELENNINEFVKN---------------MNSS---EKSIK--ALDRLQEEFRIKGGYQLNERINKIKNGF-KLSDELLDTEYNNLSGGEKTIINLASLVLSEVDVLLLDEPTNHLD-----IETLEWFEEYLNNYKGACLIVSHDRYFLDRVINKIVEIKNCKEEVYYGNYSYYLKESEKRFLLQFQSYKNQQKEITAIKEAIVRLKE---WGTKSDNPMFFRRAAAMQKRLDRMELIDKPV----------------------------EKSELKVNFVTTDRSGNEVLKIKNLDLNIGSREL----------LVSSNMEIYYQDRVCLMGRNG-------TGKTTLIKNIINNTHDNIILG----------TNIKIGYIPQEIRFDNE-ELTIYEHMRKIFVGSESELRSKLNRFYFGSEEIDK-KLKNISGGEKVRIKLLELI---LLKSNFLILDEPTNHIDIDTREILEEALLDFDGTILFISHDRYFINKIATRIVRIEN------KKLVSYEGNYDSLKVKT--------------VPVIENTIKETPQ---VINIKGSNRLNEFIKD---AKIEEVTIGCS----NTKVYKIRKKSKV-----FFLKVA-DHLSQESIRLDYLQD-KILVPE---KVFYEKYNGKS------------YILTKSLKGEMLCSDYYSNHPLEGINII---VEAFNNLYNIDYSD---CVIDETIDTKIKRIEDRFSKINNEDINKKILNRFITKENILKYLKGNKPKQIIGFTHGDMSLPNIFACDGHFSGLLDVSECGLGDIYFDLVICEISIERNYG--KEYIDKFYESL-GIEKDEFKSEYYRILMSL----------------- 4WD9 Chain:A ((5-1020)) SFKAQPFLVRNTILCPNDKRSFTEYTQVIETVSKNKVFLEQLLLANPKLYDVMQKYNAGLLKKKRVKKLFESIYKYYKRSYLRSTPFGLFSETSIGVFSKSSQYKLMGKTTKGIRLDTQWLIRLVHKMEVDFSKKLSFTRNNANYKFGDRVFQVYTINSSELEEVNIKYTNVYQIISEFCENDYQKYEDICETVTLCYGDEYRELSEQYLGSLIVNHYLISNLQKDLLSDFSWNTFLTKVEAIDEDKKYIIPLKKVQKFIQEYSE--IEIGEGIEKLKEIYQEMSQILENDNYIQIDLIS----DSEINF------DVKQKQQLEHLAEFLGNTTKSVRRTYLDDYKDKFIEKYGVDQEVQITELFDSTFGIGAPYNYNHPRNDFYESEPSTLYYSEEEREKYLSMYVEAVKNHN-VINLDDLESHYQKMDLEKKSELQGLELFLNLAKEYEKDIFILGDIVGNNNLGGASGRFSALSPELTSYHRTIVDSVERENENKEITSCEIVFLPENIRHANVMHTSIMRRKVLPFFTSTSHNEVLLTNIYIGIDEKEKFYARDISTQEVLKFYITSMYNKTLFSNELRFLYEIS--LDDKFGNLPWELIYRDFDYIPRLVFDEIVISPAKWKIWGRDVNSKMTIRELIQSKEIPKEFYIVNGDNKVYLSQKNPLDMEILESAIKKSSKRKDFIELQEYFEDENIINKGEKGRVADVVVPFIRAFIREKRVSVERREKLPFNEWLYLKLYISINRQNEFLLSYLPDIQKIVANLGGNLFFLRYTDPKPHIRLRIKCSDLFLAYGSILEILKRSRKNRIMSTFDISIYDQEVERYGGFDTLELSEAIFCADSKIIPNLLTLIKDTNNDWKVDDVSILVNYLY------LKCFFQNDNKKILNFL-------NLVGDQIFYDKNFKELKHAIKNLFLKMIAQDFELQKVYSIIDSIIHVHNNRLIGIERDKEKLIYYTLQRLFVSEETKDFNLDLVSVSK

General information: TITO was launched using: RESULT: Template: 4WD9.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 : 3755 146238 38.94 191.41 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 38.94 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.247

(partial model without unconserved sides chains): PDB file : Tito_4WD9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4wd9-query.scw PDB file : Tito_Scwrl_4WD9.pdb: