Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLTDPPSLGTAQAASVIAAAVRLLTKRTGAEVTLVEVEDLGGTGQTLVVRARVGENPFSLPRTLVIKQTPPQG-SREMFTREVVSYQFTTSLATGDRPGPELLAWDSEERVLIISDLGEATPMSQVLASQSGGEENALMAWAQRLGRMHAATAGREIDFAAL-LRRAK---VPPSRDIIGQQVQGAVLALPRQLRE---QLS---LETPEEVRAIAAKAKELFD-KGTMRAFSPADPGPDNILLTA-DQGVRFLDYEWGGFRDATLDIAYALVTYRGAMRKEESKEYWSELDQRIVQAWRAEAVAVWPALADDVTLQKRVLGAMLIWVWLTTAWWLPGHGRDGAWSHRHSLSTPTPQALMARWEGLLGLANAAGDLAVAEHAETVIAALRAAWRW 2QG7 Chain:D ((109-455)) ----------------------------------DSLEFQIINGG-TNILIKVKDMSK----QAKYLIRLYGPKTD---NREREKKISCILYNK---NIA-KKIYVFFTNG--RIEEFMD-GYALSREDI----KNPKFQKLIAKNLKLLHDIKLNENLYKELQVTQKVPGTRPSFLW-NTIWKYFHLLNEERKKICSFDAKANILKLIDFDVLRDSIVEVESLCKRENSPIVLCHCDLLSSNIINTVG-DSISFIDFEYSCPMERAYDIANHFNEYAGFNCDWDLTPS-KEEEYHFIMHYLGTDDEELI-NQLIREIQPFYICSHINWGLWSLLQGMHSS-DFDF-------INYGMTRLTASCLPIFR---------------------------

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 : 1302 -5696 -4.37 -19.51 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain D : 0.60 3D Compatibility (PKB) : -4.37 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.290

(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: