Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRK----LTICLLIA------LIFYNGNAKAAERG-------SLEELNDLSDTVFQMTRQAKYEEALQVLE-----YFEKTLKSAEKKQQDPMLT--GAQIRQITLGYND--MVRSLKQADTSDTQKLRAA---------------------AQFRMLMDAVDNRSDPLWGSLEKPI------MEAFTELKRDVQKNGSTSFHEKWNEFISLYDLIYP----SLTIDVSEDQLETVGK----------HIDVIEQEEFQQMTESTKLERLSLLQHDLKNVFDRVEEDDADPSLLWVIITTGSIIITALTYV---------GYRKYKAEKNKLKKRDYPK------------------------ 4RNZ Chain:A ((1-369)) MERLVWDKLTLLGFLEKNHIPQKLYYNLSSQDKELSAEIQSNVTYYTLRDANNTLIQALIPISQDLQIHIYKKGEDYFLDFIPIIFTRKEKTLLLSLQTSPYQDIIKATNDPLLANQLMNAYKKSVPFKRLVKNDKIAIVYTRDYRVGQAFGQPTIKMAMVSSRSNQYYLFSHSNGHYYDSKAQEVAGFLLETPVKYTRISSPFSYGRFHRPHYGVDYAAKHGSLIHSASDGRVGFMGVKAGYGKVVEIHLNELRLVYAHMSAFANGLKKGSFVKKG--QIIGRVGSTG--PHLHFGVYK-NSRPINPLGYIRTAKSKLHGKQREVFLEKAQRSKQKLEELLKTHSFEKNSFYLLEGFLEHHHH

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 : 1110 53106 47.84 205.04 target 2D structure prediction score : 0.25 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 47.84 2D Compatibility (Sec. Struct. Predict.) : 0.25 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.118

(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: