Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------MREEEKKTSQV-----KKLQQFFRKR---WVFPAIYLVSAAVILTAVLWYQSVSNDEVK----DQLADNGGNSAYDNNDDAVE--------------------VGKSMENVAMPVVDSENVSVVKK---FYETDAAKEEKEAALVTYNNTYSLSK------------GIDLAEKDGKDFDVSASLSGTVVKAEKDPVLGYVVEVEHADGLSTVYQSLSEVS--VEQGDKVKQNQVIGKSGKNLYSEDSGNHVHFEIRKDGVAMNPLNFMDKPVSSIEKAATQETEESIQQSSEKKDGSTEKGTEEKSGEKKDDSTDKSGSKESSTTEDTEQS 4RNZ Chain:A ((1-369)) MERLVWDKLTLLGFLEKNHIPQKLYYNLSSQDKELSAEIQSNVTYYTLRDANNTLIQALIPISQDLQIHIYKKGEDYFLDFIPIIFTRKEKTLLLSLQTSPYQDIIKATNDPLLANQLMNAYKKSVPFKRLVKNDKIAIVYTRDYRVGQAFGQPTIKMAMVSSRSNQYYLFSHSNGHYYDSKAQEVAGFLLETPVKYTRISSPFSYGRFHRPHYGVDYAAKHGSLIH-SAS-DGRVGFMGVKAGYGKVVEIHL-NELRLVYAHMSAFANGLKKGSFVKKGQIIGRVG------STGPHLHFGVYKNSRPINPLGYIRTAKSKLHGKQREVFLEKAQRSKQKLEELLKTHSFEKNSFYLLEGFLEHHHH-----------

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 : 1138 93028 81.75 353.72 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 81.75 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.198

(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: