Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------MNLIGYIEERFQNLELIPSIYNQWGTGIHFCLGENIYQ--LKA-NEELNLKMFRIVYEQTSIIFNELFEQNDDIFLVTNMYKHKKKEKCIRKLKVYQPFLKCKNHLNQIMVKTYPYPFEINKAEEYEMQQFSLLCKPRDLRVTELLKAASNEDFPQKPKFGGYSIDY---PDVFFVNITKDIIFFIYDDRGC-EVIAHDFKRIRPLYEKYHDWVEEYKCM---------------------------------------------------------------------------------------- 4RNZ Chain:A ((1-369)) MERLVWDKLTLLGFLEKNHIPQKLYYNLSSQDKELSAEIQSNVTYYTLRDANNTLIQALIPISQDLQIHIYKKGEDYFLDFIPIIFTRKEKTLLLSLQTSPYQDIIKATNDPLLANQLMNAYKK-SVPFKRL-VKNDKIAIVYTRDYRVG--QAFGQPTIKMAMVSSRSNQYYLFSHSNGHYYD-SKAQEVAGF---LLETP--VKYTRISSPFSYGRF-HRPHYG---VDYAAKHGSLIHSASDGRVGFMGVKAGYGKVVEIHLNELRLVYAHMSAFANGLKKGSFVKKGQIIGRVGSTGPHLHFGVYKNSRPINPLGYIRTAKSKLHGKQREVFLEKAQRSKQKLEELLKTHSFEKNSFYLLEGFLEHHHH

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 : 710 -76050 -107.11 -382.16 target 2D structure prediction score : 0.31 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -107.11 2D Compatibility (Sec. Struct. Predict.) : 0.31 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.142

(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: