Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKSSKFFFEDQKYNKERIVRVLGGNLALLKSKGILYEDSSGDLIFNYVGVISNGRNVIFILPKYCNRHLDEHSKRTLFNKLLKIFKKYSGLNKSRE--SDYFVSELDSDEVSDFMIADYLLNDFSLNGYYQKKFTEYEIDGEGIIDWSKTVNEITPVF-----SKGVPYYFSTYNEVVQKDEYH----LIVKIHKWALSKYFNDFGVILGFTGLEFDKSCDGMKILDYADF--FGSVINKEIVNTYVDR--DVKLLKALKTAIDREENQFSKRPTLSLYGTKYFHRVWEEVCKTVFSHVN-----EYVKKISRPNWINFTDIEVNKEKKTLEPDIIKAFEYRSKEYFLILDAKYYNINFDGKKLEGNPGVEDITKQLLYDKALEKLSRGKTKHNAFLFPSSNSTNTFKVFGSVDFDFLDIAAVTLVYISAEQVYNLYLENKTFSTDDLFKFVSEINKSKKRHSVITSTLYGNMFLFTKRLSDKN 4A1N Chain:A ((19-311)) -------------------------------------------------------------------KAVLEQFGFPLTGTEARCYTNHALSYDQAKRVPRWVLEHISKSKIMGD--ADRKHCKFKPDPNIPPTFSAFNEDYVGS-GWSRGH--MAPAGNNKFSSKAMAETFYLSNIVPQDFDNNSGYWNRIEMYCRELTERFEDVWVVSGPLTLPQTRG-DGKKIVSYQVIGEDNVAVPSHLYKVILARRSSVSTEPLALGAFVVPNEAIGFQPQLTEF-QVSLQDLEKLSGLVFFPHLDRTSDIRNICSVDTCKLLDFQEFTLYLSTRKIEGSVLRLEKIMVNLKNEIEPDDYFMSRYEKKL-------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4A1N.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 : 1148 -68097 -59.32 -252.21 target 2D structure prediction score : 0.26 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -59.32 2D Compatibility (Sec. Struct. Predict.) : 0.26 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.201

(partial model without unconserved sides chains): PDB file : Tito_4A1N.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4A1N-query.scw PDB file : Tito_Scwrl_4A1N.pdb: