Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKGKARAYTNIALIKYWGKKNEELILPMNNSLSLTLDAFYTETEVIFSDSYMVDEFYLDGTLQDEKATKKVSQFLDLFRKEAGLSLKASVISQNFVPTAAGLASSASGLAALAGACNTALKLGLDDLSLSRFARRGSGSACRSIFGGFVEWEKGHDDLSSYAKPVPSDSFEDDLAMVFVLINDQKKEVSSRNGMRRTVETSSFYQGWLDSVEGDLYQLKQAIKTKDFQLLGETMERNGLKMHGTTLAAQPPFTYWSPDSLKAMDAVRQLRKQGIPCYFTMDAGPNVKVLVENSHLSEVQETFTKLFSKEQVITAH-AGPGIAIIE 4DPX Chain:B ((10-331)) ---GKARAHTNIALIKYWGKADETYIIPMNNSLSVTLDRFYTETKVTFDPDFTEDCLILNGNEVNAKEKEKIQNYMNIVRDLAGNRLHARIESENYVPTAAGLASSASAYAALAAACNEALSLNLSDTDLSRLARRGSGSASRSIFGGFAEWEKGHDDLTSYAHGINSNGWEKDLSMIFVVINNQSKKVS---GMSLTRDTSRFYQYWLDHVDEDLNEAKEAVKNQDFQRLGEVIEANGLRMHATNLGAQPPFTYLVQESYDAMAIVEQCRKANLPCYFTMDAGPNVKVLVEKKNKQAVMEQFLKVFDESKIIASDIISSGVEII-

General information: TITO was launched using: RESULT: Template: 4DPX.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1841 -132901 -72.19 -417.93 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.87 3D Compatibility (PKB) : -72.19 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_4DPX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DPX-query.scw PDB file : Tito_Scwrl_4DPX.pdb: