Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQEKWWHNAVVYQVYPKSFMDSNEDGVGDLPGITSKLDYLAKLGITAIWLSPVYDSPMDDNGYDIADYQAIAAIFGTMEDMDQLIAEAKKRDIRIIMDLVVNHTSDEHAWFVEACENPNSPERDYYIWRD------EPNDLDSIFSGSAWEYDEKSGQYYLHFFSKKQPDLNWENEKLRQKIYEMMDFWIDKGIGGFRMDVIDMIGK---IPDE------KVVNNGPMLHPYLKEMNQATFGDKDLLTVGETWGATPEIAKLYSDPKGQELSMVFQFEHIGLQYQEGQPKWHYQKELNIAKLKEIFNKWQTELGVEDGWNSLFWNNHDLPRIVSIWGNDQEYREKSAKAFAILLHLMRGTPYIYQGEEIGMTNYPFETLDQVEDIESLNYAREALEKGVPIEEIMDSIRVIGRDNARTPMQWDESKNAGFSTGQPWLAVNPNYEMINVQEALANPDSIFYTYQKLVQIRKENSWLIRADFEL-LDTADKVFAYIRKDGDRRFLVVANLSNEEQ------DLTVEGNVKSVLIEN-TLAQEVFEKQILVPWDAFCVELL 5BRQ Chain:A ((14-564)) ----WWKKAVVYQIYPKSFKDTTGNGVGDIRGIIEKLDYIKELACDVIWLTPIYQSPQNDNGYDISDYYSIHEEYGTMADFEELLEEAHKRGIKVIMDLVVNHTSTEHRWFKEAASGKENLYRDFYIWKDMKPNGAPPTNWESKFGGSAWEFHAESGQYYLHLYDVTQADLNWENEAVRKKVYEMMHFWFEKGIDGFRLDVINVISKDQRFPDDDEGDGRRFYTDGPRVHEFLNEMNREVFSKYDSMTVGEMSSTTIADCIRYTNPESRELDMVFNFHHLKADYPNGE-KWALA-DFDFLKLKKILSEWQTEMNKGGGWNALFWCNHDQPRIVSRYGDDGKYRKKSAKMLATAIHMLQGTPYIYQGEELGMTNPKFDDISLYRDVESLNMYRILKEAGKPEAEIIEILKAKSRDNSRTPVQWNGEENAGFTAGTPWIPVPDNYKEINAEEALNDPDSIFYHYKKLNELRKEFDIITTGDYQLILEDDQELYAYLRNGADEKLLVINNFYGKETEFQLPDDIDIEGYDAKVLISNDTDLPESFKRFTVKPYQSIVYHL-

General information: TITO was launched using: RESULT: Template: 5BRQ.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 : 2942 89677 30.48 169.84 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : 30.48 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.529

(partial model without unconserved sides chains): PDB file : Tito_5BRQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BRQ-query.scw PDB file : Tito_Scwrl_5BRQ.pdb: