Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQIKIEGIHDDRLHRPLQNIANLFYEECELAYGGEEPADFVISLALSQTDEHVTVSGEVKGTGIKEQHTKFFSPDMTEKEAFKQVKNTISYVYLNLLQAHTGITQKWGILTGIRPTKLLHKKLQSGMSKEQAHAELKKDYLIHDEKIMLMQEIVDRQLAAVPDLYRVKDEVSIYIGIPFCPTKCAYCTFPAYAIQGQAGRVGSFLWGLHYEMQKIGEWLKEHDVKVTTIYFGGGTPTSITAEEMDLLYEEMVRSFPDVKNIREITVEAGRPDTITEEKLAVLNKYDIDRISINPQSYENETLKAIGRHHTVEETIEKYHLSRQHGMNNINMDLIIGLPGEGVKEFRHSLSETEKL--MPESLTVHTLSFK-----------------RASEMTRN---KHKYKVA-GREEVSQMMEDAVAW------TKEHGYVPYYLYRQKNILGNLENVGYSLPGQESIYNIMIMEEVQTIIGIGCGAASKFIDRDTGKITHFANPKDPKSYNERFEHYTDEKIKYLEQIFEKTTKQH 1R30 Chain:A ((27-338)) ---------------------------------------------------------------------------------------------------------------------------RPRWTLSQVTELFEKP-------LLDLLFEAQQVHRQHFDPRQVQVSTLLSIKTGACPEDCKYCP----QSSRYKTGLEAERLMEVEQVLESARKAKAAGSTRFCMGAAWKNPHERDMPYLEQMVQGVKAMGL------EACMTLG---TLSESQAQRLANAGLDYYNHNLDTS-PEFYGNIITTRTYQERLDTLEKVRDAGI-KVCSGGIVGL-GETVKDRAGLLLQLANLPTPPESVPINMLVKVKGTPLADNDDVDAFDFIRTIAVARIMMPTSYVRLSAGREQMNEQTQAMCFMAGANSIFYGCKLLTTPNPEEDKDLQLFRKLGLNPQQT------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1R30.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 : 1499 -80881 -53.96 -285.80 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -53.96 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.349

(partial model without unconserved sides chains): PDB file : Tito_1R30.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1R30-query.scw PDB file : Tito_Scwrl_1R30.pdb: