Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVEVNSEETVPEVLLLDLGGITFPSPIGPLLAAAESIRDPGLPRRMVSSVLWKELECGFLTIPEFCEQFAKGKAVVQE--ALIGWFEGLRAMEPSPRMIILLSELRLKYPGLKIGAVTNNFKH-PAPLRPMRDLRGEL--LFDTIVESAVEGMAKGHPGGERWALVEVWNFHDGSYMEAHIIWSSVRLFKTALERLDYHGPASAVLYLDDLKHNLAQPASLGIRTRHAITPEEATETIRKMLALDVSSGSPLQKYLASLGVLPDSISDQARPFAWQFSFGQSNPTYLVGLIPEKPLE-GYTLQKLLEEKCAVLR----------KQPPGELLPSAHDVVREYTVMSELGKEGCVPVPRTLGLCTDKTICGAAFYVMRFVTGVVFTDPNLPNLQPYQRRKVYEDLMKTAAAVHNFPWHRSEALTQRFRGDPSKYVSKQVERWSTQGIDVEGFKRLAKGLLDNVKISQKSPEFQSLVHGDFRLDNCIYDPHTFEVVAVLDWELSTTGNSLVDIASALSQYYGLYPGIAQLSSNFEELGIPKERELLDLYLRYREVESIPEGLMQYMEAFQCLRMAGILYGVLMRTKKGNASQQHQQAKGGSIFSMAYVTKLCTRGLELLQSRACSSSPIAVDAPSKL 1EK1 Chain:A ((4-544)) ------------RVAAFDLDGVLALPSIG------------------------------------PTEQLMKGKITFSQWVPLQIFSQAMAARSINRPMLQAAIALKKK--GFTTCIVTNNWLDDGDKRDSLAQMMCELSQHFDFLIESCQVGMIKPEP----------------------------QIYNFLLDTL--KAKPNEVVFLDDFGSNLKPARDMGMVTILVHNTASALRELEKVTGTQFPEAPLPVPCNPNDVSHGYVTVKPGIRLHFVEM-GSGPALCLCHGFPESWFSWRYQIPALAQAGFRVLAIDMKGYGDSSSPPEIEEYAMELLCKEMVTFLDKLGIPQAVFIGHDWAGVMVWNMALFYPERVRAVASL-----NTPFMPPDPDVSPMKVIRSIPVFNYQLYFQEPGVAEAELEKNMSRTFKSFFRASDETGFIAVHKATEIGGILVNTPEDPNLSKIT-----------------TEEEIEFYIQQFKKTG------FRGPLNWYRNTERNWKWSCKGLGRKILVP----ALMVTAEKDIVLRPEMSKNMEKW------------------IPFLKRGHIEDCGHWTQIEKPTEVNQILIKWLQTE---------------

General information: TITO was launched using: RESULT: Template: 1EK1.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 : 2571 24333 9.46 51.34 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 9.46 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.144

(partial model without unconserved sides chains): PDB file : Tito_1EK1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ek1-query.scw PDB file : Tito_Scwrl_1EK1.pdb: