Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKDIYVEFRGKYKVDGESRDSEHKGWLEVNSWSHNIRQPKSATSSSVGGHTAERVEHSDMVFVKDLDATSPKLWEACSAGYTFDEVQIDFYRA-NGDKRIKYLQIKLKHVLVSSVTPTVNEEGVPT----EAFGLKYAAVEWTYNQQDINGTAKGAVTKKWSLSNNTASYAA 4HKH Chain:A ((7-151)) ---LWLKDDGGADIKGSVDVQDREGSIEVVAQEHCLYIP---TDNNTGKLTGTRI-HTPFLFTKEIDSSSPYLYKAVTTGQTLKSAEFKWYKIWDAGQEVEYFNTKLENVKVVKVNPVMHD-----HNHLEQVELRYEKITWTYKDGNI-----------------------

General information: TITO was launched using: RESULT: Template: 4HKH.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 : 548 -3259 -5.95 -24.69 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -5.95 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.408

(partial model without unconserved sides chains): PDB file : Tito_4HKH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HKH-query.scw PDB file : Tito_Scwrl_4HKH.pdb: