Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLLKRQILRRRRHFMIFNQDEIYVIAEIGVNHNGSVDLAKELILKAKDCGANAVKFQTFKADSLLSDQTEMAAYQKENTGSSQSQLELVKSLELTYEQTEEIKKFCDEQKITFISTPFDSDSLKFLVNEIDVPYLKVSSADISNLPFLYEIACSKKHVILSTGT-ASLGDIEQALSVFAFVIDKGTEVQPSQQLFREAYSKISVRKQLKQQVSI-LHCVTQY-PALFEESNLKAISTLKNVFDLATGF-SDHTLDE-----YAAVISVSLGAR--IFEKHITLDKTMAGPDHAASMEPNEFKHYVEILHKTHAALGDGIKFMLEQESDNYYLVRRSIVAKTDIAEGELLTADNITTKRAGRVCLEPNKYWDVIGTKAKRSFKKNDFIEI 1VS1 Chain:D ((31-274)) -------------GVRIGGG-SKAVIA--GPCSVESWEQVREAALAVKEAGAHMLRGGAFKPRTS--------PY---------------SFQGLGLEGLKLLRRAGDEAGLPVVTEVLDPRHVETVS--RYADMLQIGARNMQNFPLLREVGRSGKPVLLKRGFGNTVEELLAAAEYIL-----------------LEG---------NWQVVLVERGIRTFEPSTRFTLDVAAVAVLKEATHLPVIVDPSHPAGRRSLVPALAKAGLAAGADGLIVEVHPNPEEAL--SDAKQQLTPGEFARLMGELRWHR-----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1VS1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1417 -62034 -43.78 -266.24 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain D : 0.67 3D Compatibility (PKB) : -43.78 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.401

(partial model without unconserved sides chains): PDB file : Tito_1VS1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VS1-query.scw PDB file : Tito_Scwrl_1VS1.pdb: