Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKMSREEYAELFGPTTGDKIRLGDTDLWIEVEKDFTVYGEEMIFGGGKTIRDGMGQNGRITGKDGALDLVITNVVLLDYT-G-I-VKADVGVKDGRIVGVGKSGNPDIMDGVDPHMVIGAGTEVISGEGKILTAGGVDTHIHFICP------------------------QQMEVALSSGVTTLLGGGTGPATG--SKAT---TCTSGAWYMAR--MLEAAEE---------------FPINV-------GFLG--KG----NAS-DKAPLIEQVEAGAIGLKLHED------------W-GTTPSAIKTCMEVVDEADIQVAIHTDTINEAGFLENTLDAIGDRVIHTYHIEGAGGGHAPDIMKLASYANILPSSTTPTIPYTVNTMDEHLDMMMVCHHLDAKVPEDVAFSHSRIRAATIAAEDILHDIGAISMTSSDSQAMGRVGEVIIRTWQVADKMKKQ-R----G--ALAGE--NGNDNVRAKRYIAKYTINPAITHGLSHEVGSVEKGKLADLVLWDPVFFG-----VKPELVLKGGMIARAQMGDPNASIPTPEPVFMRQMYASYGKANRSTSITFMSQASIERGVAESLGLEKRISPVKNIRKLSKLDMKLNSALPKIEIDPKTYQVFADGEELSCQPVDYVPLGQRYFLF 4UB9 Chain:A ((32-489)) ----------------------------------------------------------------EGETIAIVGGTLIDGNGGVPVPETTVFIEDGRITKVGSTDQIE----------VHPNIRQIDAQGKWILPGLVNGNVHLLDGIMMMGRGGIEYLARFEGNYYKVIEEAAQIALRGGVTTVFDTWNALEPVTIARDRIASGAAEGARIFFAGTLIGMGGPFTGDFMRPSMQARTVMSRTFADRMDAMFEVGMGRHLSTLPPAEVRPLIREYLERGVDFCKIAVTDHLVGLLGFRAPYFTFSERVLDVLVDEVRRAGVPLLTHTTSLEG---LNTAIERDADLMIHATMTGQ--APIPEETIEKLLEKQLWSE-VQPTTIAQQAWMDS------VD-HPFADF----------SGRVHHENDVRMIKAGVPLVLGTDAGCTD------PDILEDMSQGELHERPWTLGEDHFVWMQAMVEKGMDPMAAILAGTANPAKAYRKFDELGSIDVGKLGDVVVLDQDPLADITNMRTLSHVVKEGREIDF-HGLPLSPLVTAYP-------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4UB9.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 : 1938 27950 14.42 75.95 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 14.42 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_4UB9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UB9-query.scw PDB file : Tito_Scwrl_4UB9.pdb: