Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVLKVENLSVHYGMIQAVRDVSFEVNEGEVVSLIGANGAGKTTILRTLSGLVRPSSGKIEFLGQEIQKMPAQKIVAGGLSQVPEGRHVFPGLTVMENLEMGA-----------FLKKNREENQANLKKVFS--RFPRLEERKNQDAATLSGGEQQMLAMGRALMSTPKLLLLDEPSMGLAPIFIQEIFDIIQDIQKQGTTVLLIEQNANKALAISDRGYVLETGKIVLSGTGKE----LASSEEVRKAYLGG 1G6H Chain:A ((5-256)) MEILRTENIVKYFGEFKALDGVSISVNKGDVTLIIGPNGSGKSTLINVITGFLKADEGRVYFENKDITNKEPAELYHYGIVRTFQTPQPLKEMTVLENLLIGEICPGESPLNSLFYKKWIPKEEEMVEKAFKILEFLKLSHLYDRKAGELSGGQMKLVEIGRALMTNPKMIVMDEPIAGVAPGLAHDIFNHVLELKAKGITFLIIEHRLDIVLNYIDHLYVMFNGQIIAEGRGEEEIKNVLSDPKVVEIYIG-

General information: TITO was launched using: RESULT: Template: 1G6H.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 : 1225 -38624 -31.53 -164.36 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -31.53 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.527

(partial model without unconserved sides chains): PDB file : Tito_1G6H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1G6H-query.scw PDB file : Tito_Scwrl_1G6H.pdb: