Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTVLILNFPAEGHVNPTLGITKAFSDKGYDVHYISTEKYKKRLEAAGATVHLHRDLLRTTPIH----VGS-PNG-ILDFVKI-------HIKTS--LDILQIVKDLSKSIQFDFVYYDKF-GAGELVRDYLDIPGVSSSASFLFGEEHLKILPLHPESGAPLELDQECEDLLAKMKETYGVAPKNLVQFMNNKGELNVVYTSRYFQPESDRFGD----ECLFIGPSFPKRAEKTDFPIEQLKDEKVIYISMGTVLDH-TEDFFNLCIDAFSGFNGKVVIAAGEKADLTKLKQAPENFIIAPYVPQLEVLEQSDVFITHGGMNSVNEGIHFSVPLVVMPHD-KDQPMVAQRLSELHAGYVISKDEVNAQILKQAVDEVLRNDQYTAGIKKINQSFKECMDMEEVMERIDELIRQKNK 3WAD Chain:A ((1-415)) -MRVLMTVFANRSHLYNMVPLAWALTTAGHEVHIASHPDNVQAISDSGLTAVPVGNDLNIMA--ALTLNETRPEKLTWQYIHDVFAQYSQIYEYMADSTMTADLVAHARQWQPDLVIWDALTYAGPIAAEAVGAPHVRMLFGLDQWGRMR---DHFNRLTGE-RAADDRHDPLADWLATKGEPHGVAFTESLVTGTTTLAVAPPWMSFPS-EQPALSMRHLPFNGPAV-----LPDWL-REAPSRPRVCLTLGLTLREL-NVTLADFVNAVADIDADVVATFSAEQV-AEIGDLPDNVRAVDFVPLHALLPSCAAIVHHGGGGTRTNAIRYGVPQLIVPNWLWDEGYVAERFAERGAALVTEVPDLTPDRLRDQLRRLIAEPSFKAAAEQIQKEYDALPSLTETVGELVRVAER---

General information: TITO was launched using: RESULT: Template: 3WAD.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 : 2014 -227255 -112.84 -604.40 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -112.84 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.429

(partial model without unconserved sides chains): PDB file : Tito_3WAD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WAD-query.scw PDB file : Tito_Scwrl_3WAD.pdb: