Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------MNAEEKKGLQRAIEEITEIAKGFGLDFYPMR---------YEICPAEIIYTFGAYGMPTRFSHW-SFGKQFHKMKLHYDL-GLSKIYELVINSDPCYAFLLDSNSLIQNKLIVAHVLAHCDFFKNNCRFQNTKRDMVESMAATAERI------KHYEQVHGI--------KEVESFLDAIL------SIQEHIDPSLVRPKLQWSVDDEEEEIEEAATPYDDLW---SLDEKKPKKQVKKSKKPFPPRPE----------KDILLFIEEHSRELEPWQRDILTMMREEMLYFWPQLETK------------------------------------IMNE----------------------------------GWASYWHQRIIRELDLTSDEAIEFAKLNAGVVQPSKTGINPYYLGLKIFEDIEKRYNNPTEEMKKMGVQPDSGREKMFEVREIESDISFIRNYLTKELVMREDLYLFQKQGRDYKIIDKQWKSVRDQLVSMRVNGGFPYLTVNDGDYMKNNELYIKHWYEGIELDLKYLE-KVLPYLFQLWGRSVHIESVLEDKEVMFSYDGKGVHRRYL------------------------ 4XMM Chain:D ((47-744)) ILVPMTVNDQPIEKNGDKMPLKFKLGPLSYQNMAFITAKDKYKLYPVRIPRLDTSKEFSAYVSGLFEIYRDLGDDRVFNVVNSNFAKEHNATVNLAMEAILNELEVFIGRVKDQDGRVNRFYELEESLTVLNCLRTMYFILDGQDVEENRSEFIESLLNWINRSDGEPDEEYIEQVFSVAGKKVFETQYFWKLLNQLVLRGLLSQAIGCIERSDLLPYLSDTCAVSFDAVSDSIELLKQYPKDSSSTFREWKNLVLKLSQAFGSSATDISGELRDYIEDFLLVIGGNQRKILQYSRTWYESFCGFLLYYIPSLELSAEYLQMSLEANVVDITNDWEQPCVDIISGKIHSILPVMESLDSCTAAFTAMICEAKGLIENIFEGLEDLFSYRNGMASYMLNSFAFELCSLGDK--ELWPVAIGLIALSATG--TRSAKKMVIAELLPHYPFVTNDDIEWMLSICVEWRLPEIAKEIYTTLGNIESIANFSLVKSYSWLLFEASCMEGQKVLNAIVSKDDVIIPQDILVTNSMRQTLAPYAVLSQFYDREDWGQALRLLLLLIEFHYLVLLVAKFLYPIFEDSVATVIEVIETKWSNLYETIIEADKSATLLKNLRKKLNFKLCQAFM

General information: TITO was launched using: RESULT: Template: 4XMM.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1486 -122472 -82.42 -263.95 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain D : 0.63 3D Compatibility (PKB) : -82.42 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.179

(partial model without unconserved sides chains): PDB file : Tito_4XMM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XMM-query.scw PDB file : Tito_Scwrl_4XMM.pdb: