Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAILVTGGAGYIGSHTVVELLNLGKEVIIVDNLS---NSSILVLDRIEAITGIRPVFYELDVCDKPALRKVFEQESIDAAIHFAGYKAVGESVQKPVMYYKNNIMSTLALVEVMSEFNVKKIVFSSSATVYGINNQSPLIETMQTSATNPYGYTKVMLEQILKDVHVADSEWSIALLRYFNPIGAHESGLIGE--DPSGIPNNLMPYIAQVAVGKLSELSVFGNDYDTLDGTGVRDYIHVVDLAIGHIKALEKVSEKTDVYIYNLGSGEGTSVLQLVNTFESVNKIPIPYKIVPRRSGDVATCYANADKAYKELNWRTTKSIEDMCRDTWN 4TWR Chain:A ((14-317)) --VLVVGGAGFIGSHTAKLLAGQGYAPVVYDNLSTGHQSAVRWGD-----------FVEGDILDQARLVETMEKYAPVAVIHFAASAYVGESVEDPAKYYRNNVGGTQSLLDACRLTRTQNVIFSSSCATYGVPSRLPIGEGEAQNPINPYGRTKLIAEHMLADYAVAYGLRYVAL-RYFNASGADIDGELGEKHDPE---THLIPRAMMAAAGRLDVLEVYGDDYETPDGTCIRDYIHVTDLARAHVLAVEHLKEAGGNLAVNLGTGRGTSIREIVQSIGRLTGRSVPVAMRARRAGDPPALYADPALAAEKLGFHTVYS----------

General information: TITO was launched using: RESULT: Template: 4TWR.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 : 1695 -31418 -18.54 -105.08 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -18.54 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.566

(partial model without unconserved sides chains): PDB file : Tito_4TWR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4TWR-query.scw PDB file : Tito_Scwrl_4TWR.pdb: