Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------MEQLHFITKLLDIKDPNVQILNIINKDTHKEIIAKLD-------YDAPSCPECGNQLKKYDFQKPSKIPYLETTGIPTRILLRKRRF---KCYHCSKMMVAETS-DDVQSYFFS----FYY---ITVLNLALLDSPLLSIYSEKRRKT----------------------------------------------------------------------------------------------------------------------------------------------------------- 4RNZ Chain:A ((1-369)) MERLVWDKLTLLGFLEKNHIPQKLYYNLSSQDKELSAEIQSNVTYYTLRDANNTLIQALIPISQDLQIHIYKKG---EDYFLDFIPIIFTRKEKTLLLSLQTSPYQDIIKATNDPLLANQLMNA-YKKS--VPFKRLVKNDKIAIVYTRDYRVGQAFGQPTIKMAMVSSRSNQYYLFSHSNGHYYDSKAQEVAGFLLETPVK--YTRISSPFSYGRFHRPHYGVDYAAKHGSLIHSASDGRVGFMGVKAGYGKVVEIHLNELRLVYAHMSAFANGLKKGSFVKKGQIIGRVGSTGPHLHFGVYKNSRPINPLGYIRTAKSKLHGKQREVFLEKAQRSKQKLEELLKTHSFEKNSFYLLEGFLEHHHH

General information: TITO was launched using: RESULT: Template: 4RNZ.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 : 382 -12060 -31.57 -98.85 target 2D structure prediction score : 0.35 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -31.57 2D Compatibility (Sec. Struct. Predict.) : 0.35 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.274

(partial model without unconserved sides chains): PDB file : Tito_4RNZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RNZ-query.scw PDB file : Tito_Scwrl_4RNZ.pdb: