Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKILIAEHYEELCKLSAAIIKEQI-----QAKKDAVLGLATGSTPVGLYKQLISDYQAGEIDFSKVTTFNLDEYAGLSPSHPQSYNHFMHEHLFQHINMQPDHIHIPQGDNPQLEAACKVYEDLIRQAGGIDVQILGIGANGHIGFNEPGSDFEDRTRVVKLSESTIQANARFFGGDPVLVPRLAISMGIKTIMEFSKHIVLLASGEEKADAIQKMAEGPVTTDVPASILQKHNHVTVIADYKAAQKLKSASFS 1NE7 Chain:F ((1-248)) MKLIILEHYSQASEWAAKYIRNRIIQFNPGPEKYFTLGLPTGSTPLGCYKKLIEYYKNGDLSFKYVKTFNMDEYVGLPRDHPESYHSFMWNNFFKHIDIHPENTHILDGNAVDLQAECDAFEEKIKAAGGIELFVGGIGPDGHIAFNEPGSSLVSRTRVKTLAMDTILANARFFDGELTKVPTMALTVGVGTVMD-AREVMILITGAHKAFALYKAIEEGVNHMWTVSAFQQHPRTVFVCDEDATLELK-----

General information: TITO was launched using: RESULT: Template: 1NE7.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 1411 -166373 -117.91 -684.66 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain F : 0.82 3D Compatibility (PKB) : -117.91 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.625

(partial model without unconserved sides chains): PDB file : Tito_1NE7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NE7-query.scw PDB file : Tito_Scwrl_1NE7.pdb: