Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKWFEKLVDPYPTKGLDEPLPTRFFPFVWQATEGVRPYLLLLIICTAGAASFEALLFSKIGQLVDWLSNSQPE----SFLSQHASNIL----ILISVLFANIQSIIKHQILYSTFPMRLRWRFHNLLLKQSLDFFHNDFAGRLSAKVMQTALAVREFWIILGDMLAYVSIYFITVSIVLGAISPTLLIPLMVWLGLFLLSAWFFIPRLSKVSQQQADARAVMTGRVTDAYTNIQTVKLFAHAGRESQYAKASMKEFMTIVYAQMRLGTLFEVSINLLSAVLFVGVIGTAVWLWTQGLAALGVIAATTAMILKLNSMAEFMMWHMSALFENVGTIQDGMQTLGKKINIQDKSDAKPLAVTQGEIVFKDVTFAYNN--------KNVIDHFNLHIKAGEKIGIVGRSGAGKSTLIQLLLHFYHLKEGAILIDGQNIEDVTQDSLRANIALVTQDTSLLHRSVAENIKYGRPDATDQDMQSAVHKAKAAEFIPQLVDLKGRSGYEAQVGERGVKLSGGQRQRIAIARVFLKDAP-ILILDEATSALDSEVEAAIQSSLNDLMVDKTVIAIAHRLSTIAQMDRLIVLDEGKIAEQGTHEELIAKNGIYAQLWKRQTGGFLIEQKVVQGQD 5MKK Chain:A ((14-590)) -------------------------FARILRYVWPYRLQVVLALLFLLVVTLAAAATPLFFKWAIDLALVPTEPRPLAERFHLLLWISLGFLAVRAVHFAATYGETYLIQWVGQRVLFDLRSDLFAKLMRLHPGFYDRNPVGRLMTRVTSDVDAINQFITGGLVGVIADLFTLVGLLGFMLFLSPKLTLVVLLVAPVLLAVTTWVRLGMRSAYREMRLRLARVNAALQENLSGVETIQLFVKEREREEKFDRLNRDLFRAWVEIIRWFALFFPVVGFLGDFAVASLVYYGGGEVVRGAVSLGLLVAFVDYTRQLFQPLQDLSDKFNLFQGAMASAERIFGVLDTEEELKDPEDPTPIRGFRGEVEFRDVWLAYTPKGVEPTEKDWVLKGVSFRVRPGEKVALVGATGAGKTSVVSLIARFYDPQRGCVFLDGVDVRRYRQEELRRHVGIVLQEPFLFSGTVLDNLRLFDPSVPPERVEEVARFLGAHEFILRLP-----KGYQTVLGERGAGLSTGEKQLLALVRALLASPDILLILDEATASVDSETEKRLQEALYKAMEGRTSLIIAHRLSTIRHVDRILVFRKGRLVEEGSHEELLAKGGYYAA--------------------

General information: TITO was launched using: RESULT: Template: 5MKK.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 : 2246 -142842 -63.60 -255.08 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -63.60 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.432

(partial model without unconserved sides chains): PDB file : Tito_5MKK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MKK-query.scw PDB file : Tito_Scwrl_5MKK.pdb: