Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPAPTDSIYAYLTAAPASGFAGLSVEILEHWRGDENLLWRVRAG--SEEAVVKLFLDAGQAR-GRRQFDGQQLFAATGIAPEPLWFDRYPEGLARQVLVYRWVEGRALQPD---DADDLTALVASLAAVHGGDVATVRRI--------------SPRALNLEYFWSMLSGGLK---P---TQQWLEKSGYPQMAAFLRELEARGQTLVAEGLPLWHAAPPTPIHGDPRPENVVIQA-GRAVLLDWELFGLGDPALEMAELLHQQR-------MRWPGALQEHLLAEYASLSG-D--AAVVARVQLYRKLLPLRDAAFLVSGAQQVSPTERMQPEYDQALPMLIETSTRALMESAEALDDRLVSDAANLRDEVEHLFTSHQNS 2QG7 Chain:D ((110-448)) ---------------------SLEFQII--NGG-TNILIKVKDMSKQAKYLIRLYGPKTD--NREREKKISCILYNKNIAKKIYVFFT-----N--GRIEEFMDGYALSREDIKNPKFQKLIAKNLKLLHDIKLNENLYKELQVTQKVPGTRPSFLWN-TIWKYFHLLNEERKKICSFDAKANILKLIDFDV---LRDSIVEVES----LCKR--ENSPIVLCHCDLLSSNIINTVGDSISFIDFEYSCPMERAYDIANHFNEYAGFNCDWDLTPSKEEEYHFIMHYLGTDDEELINQLIREIQPFYICSHINWGLWSLLQGMHSS-----DFDFINYGMTRLTA-------------------------------------

General information: TITO was launched using: RESULT: Template: 2QG7.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 : 1039 6470 6.23 24.88 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain D : 0.63 3D Compatibility (PKB) : 6.23 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.272

(partial model without unconserved sides chains): PDB file : Tito_2QG7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2qg7-query.scw PDB file : Tito_Scwrl_2QG7.pdb: