Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSYANLLKPLHLGFTTIKNRV--VMGSMHTGLEDRFFNYPKLAAYFEERAKGGVGLIVTGGISPNRQGWLAPAGGTMNSLF-------DIPQHRLVTHAVHKHGSKILMQILHAGRYGYQPFVVSSSPIKSP---ISPFKPRQLSEKNILSTI----EDYAQCADIAKKAGYDGVEIMGSEGYLINQFLSRHVNQRTDRWGGEIENRMRFPVEIVKAIRAKVGEKFIICFRLSLLDLVHDGNTMQEVVTVAKALEKAG--VTLLNTGIG----WHEARVPTIVTSVPRAAFVDYTAHVKQHISIPVIASNRINMPETAEEILATGKADMIQMARPLLADAFWVNKTATNRVDEINTCIACNQACLDHAFKNKRVSCLVNPRAGHETEL-----VYLKTKQPKRIAVVGGGVAGMSAATVAASRGHAVTLFEANADVGGQFNFAKVVPGKEE--FHETIRYFKV-QLQKTGVDVRL---NTRVNREQLEREGFDEVIVATGVVPRALKIEGSNS-------------PQVLSYAQVLQG-AEVGRKVAVIGAGGIGFDVSEFLLKPPHQPQSQPLAEWQREWGVDPDPNYVSEGGMQPPVVEPAIREIYLLQRKTTPLGVGLGKTSGWVHRAQLKKHGVRMLRGVQYKAVTDEGLWIEHNGQDQLLRVDTVVVCAGQESVKDLMPKEGESTIANYHIIGGAKLAAELDAKRAIKEGAELAAQL 2TMD Chain:A ((9-536)) ------LFEPIQIGPKTLRNRFYQVPHCIGAGSDKPGFQ----SAHRSVKAEGGWAALNTEYCSIN------PESDDTHRLSARIWDEGDVRNLKAMTDEVHKYGALAGVELWYGG--AHAPNMESRATPRGPSQYASEFETLSYCKEMDLSDIAQVQQFYVDAAKRSRDAGFDIVYVYGAHSYLPLQFLNPYYNKRTDKYGGSLENRARFWLETLEKVKHAVGSDCAIATRFG-VDTVYGPGQIEAEVDGQKFVEMADSLVDMWDITIGDIAEWGEDAGPSRFYQ--QGHTIPWVKLVKQVSKKPVLGVGRYTDPEKMIEIVTKGYADIIGCARPSIADPFLPQKVEQGRYDDIRVCIGCNVCISRWEIGGPPMICTQNATAGEEYRRGWHPEKFRQTKNKDSVLIVGAGPSGSEAARVLMESGYTVHLTDTAEKIGGHLNQVAALPGLGEWSYHRDYRETQITKLLKKNKESQLALGQKPMTADDVLQYGADKVIIATGA---RWNTDGTNCLTHDPIPGADASLPDQLTPEQVMDGKKKIGKRVVILNA---------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2TMD.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 : 2989 58613 19.61 121.86 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 19.61 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.451

(partial model without unconserved sides chains): PDB file : Tito_2TMD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2TMD-query.scw PDB file : Tito_Scwrl_2TMD.pdb: