Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLHNPTGKERLALAFLLGMLAILGPLNIDMYLPSFPEIAKDLSASASLVQLSLTACLVGLTIGQLIVGPVSDAQGRRKPLLICIFLFALSSLFCALSP----NITTLVAARFLQGFTASAGLVLSRAIVRDVFTGRELSKFFSLLMVITAVAPMVAPMTGGAILLLP-FATWHTIFHVLMIIGFLLVLLIALRLKETLPLEK----RI-PSSIGTSVK---T--MGSLLKDRSFMGYALTVGFIHGGSFAYVSGTPFVYQDIYGVSPQVFSILFGINGLAIISGSFIIGRFGGIIHEKSLLRIAVITAMIATAVLLTMTM-IHGPLATLVISIFIYMITIGMVLTSTFTLAMEKQ-GHRAGSASALLGMLPLLLGS-IVSPLVGI-NETTAVPMGAIMFVTAVIGSLAFFGLTKERVGQNS 1PW4 Chain:A ((34-410)) ----------------IFFGYAAYYLVRKNFALAMPYL-VEQGFSRGDLGFALSGISIAYGFSKFIMGSVSDRSNPRVFLPAGLILAAAVMLFMGFVPWATSSIAVMFVLLFLCGWFQGMGWPPCGRTMVHWWSQKERGGIVSVWNCAHNVGGGIPPLLFLLG--MAWFNDWHAALYMPAFCAILVALFAFAMMRDTPQSCGLPPIEEYKND------TAKQIFMQYVLPNKLLWYIAIANVFVYLLRYGILDWSPTYLKEVKHFALDKSSWAYFLYEYAGIPGTLLCGWMSDKVFRGNRGATGVFFMTLVTIATIVYWMNPAGNPTVDMICMIVIGFLIYGPVMLIGLHALELAPKKAAGTAAGFTGLFGYLGGSVAASAIVGYTVDF--------------------------------

General information: TITO was launched using: RESULT: Template: 1PW4.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 : 1678 -283225 -168.79 -820.94 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -168.79 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.173

(partial model without unconserved sides chains): PDB file : Tito_1PW4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1PW4-query.scw PDB file : Tito_Scwrl_1PW4.pdb: