Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDALCLQFFYEKGVIMSILTLNNITQQF--GDKILYEGVDLQLNAGEHLGLIGQNGAGKSTLIKIITGEILPDDGQIHWQKNIHKGYLDQYV-EVDETLTIEEFLKTAYAKEYEKEEKIAFLYQTYSETFDDSLLEKAGKLQTELDQGVFYQIDTLVAEMSSGLGIDVLGLDSLLKNLSGGQRSKVILAKLLLENPDVLILDEPTNHLDDQHIQWLTQFLQDFDGAYIVISHDQEFLDQITTHIADIEFGKITKYTGHLKQALKQKEQNRESYLRQYHAQQKQIEKTEAYIRKYKAGSRSTMAKSRQKQLDKIERLTPPASASKAVFDFPFSPIVTTLAVETTDLVIGYD---RPLLAPINLTIRFGENIAIRGFNGIGKSTLLKTLIGEIEKISGDFHFPDNTKINYFSQDLYW-----------------EN-------------------P---------------------LE-----------T-PLQYLSS-------------Q-FPKA---------------------------TIKELRRQLAKAGLVNQ-LASEPLTTLSGGEQTKVKLAQLTMNQGNLLILDEPTNHIDQETKESLQDGIQKFPGTVIIVSHEQEFYQDLVQRVIEIEPK 2IW3 Chain:A ((433-974)) -----------------GEDLCNCEFSLAYGAKILLNKTQLRLKRARRYGICGPNGCGKSTLMRAIANGQVD--GFPTQEE-CRTVYVEHDIDGTHSDTSVLDFVFESGV-----------------------------------------GTKEAIKDKLIEFGFTDEMIAMPISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNTCGITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEFVKKCPAA------------KAY---EEL-SNTD--L-------------E---FKFPEP-----GYLEGVKTKQKAIVKVTNMEFQYPGTSKPQITDINFQCSLSSRIAVIGPNGAGKSTLINVLTGELLPTSGEVYTHENCRIAYIKQHAFAHIESHLDKTPSEYIQWRFQTGEDRETMDRANRQINENDAEAMNKIFKIEGTPRRIAGIHSRRKFKNTYEYECSFLLGENIGMKSERWVPMMSVDNAWIPRGELVESHSKMVAEVDMKEALASGQFRPLTRKEIEEHCSMLGLDPEIVSHSRIRGLSGGQKVKLVLAAGTWQRPHLIVLDEPTNYLDRDSLGALSKALKEFEGGVIIITHSAEFTKNLTEEVWAVKDG

General information: TITO was launched using: RESULT: Template: 2IW3.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 : 1797 23666 13.17 55.68 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 13.17 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.457

(partial model without unconserved sides chains): PDB file : Tito_2IW3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IW3-query.scw PDB file : Tito_Scwrl_2IW3.pdb: