Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------MNNWSFGIDNDKLIGLVLEGKKTATSSLYNFDKIPVIGKESIIHFDNEKDACIVETVDYKIIKYNEMTEELAKLEGEGDLSLNYWKQVHLNFFKSVNPNFKEDDKIIFEIFKVTKNLVEERLKLGKSIASKNTDLLGNIVKVEEINSGFNNTLFNINDKYVIKVCTNKELENTFENEKDFYLSNKDNCFIPKLYKYDDSKVDCDYIYEVIEKIKGKTLYYYWYK---MNEADREKTIEKLIDIIKKFHSVNGKEYDWKNKIKGEIKNRIIKCKKYFKIKDYNMILESIDKYDEYLSDNKFALIHNDLHFDNVIYN--NGKLTIIDFNDSIQAPIDFEFRLLYMCQEQPWKWADIEMDPYQKP---EDYKNIWNYIKKYYKELNEIKFLEQRMIIYRIWNDTGHLKKYHNVELTKGIVENSKKLI 5KCV Chain:A ((20-452)) IVKEGWLHKRGEYITWRPRYFLLKNDG----TFIGYKERPAPLNNFS----VAQCQLMKTERPRP----NTFIIRCLQWTTVIERTFHVE-----------------------TPEEREEWTTAIQRVTMNEFEYLKLLGKG-------TFGKVILVKEKATG---------RYYAMKILKKV-------------LQNSRHPF---LTALKYSFQTHDRLCFVMEYANGGELFFHLSRERVFSEDRARFYGAEIVSALDYLHSEKNVVY---RDLK--LENLMLDKDGHIKITDFGLCPEYL--APEVLEDNDYGRAVDWWGLGVVMYEMMCGRLP---FYNQDHEKL---FELILMEEIRFPRTLGPEAKSLLSGLLKKDPKQRLGGGSEDAKEIMQHRFFA-GIVWQHVYE--KKLSPPFKPQVTS---ETDTRYF

General information: TITO was launched using: RESULT: Template: 5KCV.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 : 1633 31345 19.19 94.98 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 19.19 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.143

(partial model without unconserved sides chains): PDB file : Tito_5KCV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5kcv-query.scw PDB file : Tito_Scwrl_5KCV.pdb: