Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQTVLDVKNLKTEFITDKKAFPIIKDVNFTLERGKVLGIVGESGCGKSVTVNTVLNLLPKNGRIAEGEITYFDEDKPIELQKLKQYGKEFRKLRGENISMIFQDPMSALNPVYTIGNQITEVLHEHYDISKEEANKRAIEMLEKLGIHNAAERMNDYPHQFSGGQRQRIVIAIAMVCNPDILIADEPTTALDVTIQAQILDLLDDLRKEHGTSIILITHDLGVIAQIADEVAVMYAGEVVEV-GTVAQIFDQPKHPYTRSLLRSIPNPENMDKKLHVIQGSVPSISEISEKGCRFANRIPWLEKEHHEEEPQLHDLGDGHFVRCSCYKHFFFEDKEEETLAEKHVGNVVLEVKNIKKYYYPKKQLFKPLGSPLKALDDVSLELRKGTTIGIVGESGSGKSTIAKSLMKLHDITDGEINIDLNGKTQNIYGI-KRKEDLDFRKK--------------VQMV-----------F-QDPY--ASL-------------NPTK------------KIYNSFDEP-------MIV-HNIGNK--------------------------EERFERMKEALKMVNVPVE-YLERYPHEFSGGQRQRLCIARALCMKPEILILDEPVSALDLSVQAQVLNYLVEIQNKEDLTYVFISHDLGVVKYMCDYLYVIHKGRIVEAGSREDIYNNPMHIYTKKLLAAIPEVDYHFKEALATKRKENEVEFKAQYHEFYDEDGRAYDLKQVSPTHFVALKPE 2IW3 Chain:A ((434-978)) -----EDLCNCEFSLAYG--AKILLNKTQLRLKRARRYGICGPNGCGKSTLMRAIANGQVD------GFPTQEEC---------------------RTV-YVEHDID-GTHSDTSVLDFVFESGVG--------TKEAIKDKLIEFGFTD--EMIAMPISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNT----CGITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEFVKKC------------PAAKA----YEELSNTDL----------EF----KFP-------------------------------EPG-YLEGVKTKQKAIVKVTNMEFQYPGT---------SKPQITDINFQCSLSSRIAVIGPNGAGKSTLINVLTGELLPTSGEVYTH--E--NCRIAYIKQHAFAHIESHLDKTPSEYIQWRFQTGEDRETMDRANRQINENDAEAMNKIFKIEGTPRRIAGIHSRRKFKNTYEYECSFLLGENIGMKSERWVPMMSVDNAWIPRGELVESHSKMVAEVDMKEALASGQFRPLTRKEIEEHCSMLGLDPEIVSHSRIRGLSGGQKVKLVLAAGTWQRPHLIVLDEPTNYLDRDSLGALSKALKEF----EGGVIIITHSAEFTKNLTEEVWAVKDGRMTP----------------------------------------------------------------------------

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 : 1951 -96532 -49.48 -212.16 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -49.48 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.379

(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: