Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANVDAAAHRADGGRHGGGGGGSGDESKAKKTKPEEYEHPFWYVYRQRGVSYWDYKNARVDFNANLAPYELLQKIGRGKYSEVFRGRNR-NNGCLCVLKLLK---PVRYQKILREISILRNLCGGPNVVRLLDVLRDAES--QTVVLVTEYVHNPTTLRNLLYSNKLSNFDMRYYLYEILRSLDFAH-RRGIFHRDIKPYNVMID-HERKILRVIDWGLGEYYIHGQ-----ALNCGVATRHYKGPELLVG---YRHYDYSLDIWCLGCVLAGMLF-RSDPFFVG-ANNEDQLLQIVAVFGKKALYRYLDKYQCRISRVVESSMSALPDEHVDW---RRYIKRGSIQESWCDATALDLLDKMLQFDHQDRIM-AHEAMQHPFFAPVRDALAKDSQEHYPVARH- 1LR4 Chain:A ((2-328)) -------------------SKARVYADVNVLRP----KEYWDYEALTVQWG------E-------QDDYEVVRKVGRGKYSEVFEGINVNNN-EKCIIKILKPVK---KKKIKREIKILQNLCGGPNIVKLLDIVRDQ--HSKTPSLIFEYVNNTDFKVLYPT---LTDYDIRYYIYELLKALDYCHS-QGIMHRDVKPHNVMIDH-ELRKLRLIDWGLAEFY-HPGKEYNV----RVASRYFKGPELLVDLQDY---DYSLDMWSLGCMFAGMIFR-KEPFFYGH-DNHDQLVKIAKVLGTDGLNVYLNKYRIELDPQLEALVGRHSRKPWLKFMNA-------DNQHLVSPEAIDFLDKLLRYDHQERL-TALEAMTHPYFQQVRAAEN------------S

General information: TITO was launched using: RESULT: Template: 1LR4.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 : 1447 -17507 -12.10 -57.59 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -12.10 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.517

(partial model without unconserved sides chains): PDB file : Tito_1LR4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1LR4-query.scw PDB file : Tito_Scwrl_1LR4.pdb: