Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRSFATQQNGIFKSVCSLDCPDQCGLLIHKKDGKIVKVQGDPDHPVTAGNICNKVRNMTERIYDEKRLTTPLKRTGA---KGQAIFEPISWKEAIDTITSRWKQLIDEEGAESILPYSFY-GNMGKLTAEGMDRRFFY-RMGSSQLE--RTICSKAGSEGYKYTMG-ISAGIDPEETVHTKLFIFWGINAVSTNMHQITIAQKAR-K-KGAKIVVIDVHKNQTGRLADWFIPIKPGTDSALALGIMHILFKENLHDEAFLSEYTV----------------------------------GYEELREHVKQYDPEKVSTITGVSTEDIYRLAKMYGETS-PSFIRIGNGPQHHDNGGMIVRTIACLPAITGQWLHTGGGAIKHNSGIL-EYNT-NAL----QRPDLL---KG--R-----TPR----SFN---MNQ--LGRVLLETDPPIRSLFIYGTNPAVVAPEANKVRQGLLR----EDLFTVVHDLFLTETAAYADIVLPATSAFENTDFYTSYWHHYIQLQQPVIERYGESKSNTEVFRLLAEAMGFTDQELKDS----D----EVLIRQALDHP-----DNPH----L-------AE-----IDYDSL-----------------TKH-SFMKAKRE-K--PL----FPGELPTPSGKIELYSEKMKQDGFPALPTYTPLVT--DNEHPFMYVPGPNHNFLNST--FSNNEKHIKLEKT-PKLFINTKDAEKHGIVDGAPVRIWNSRGECELTAAVG--EQVLPGVVVSQGLWADEQGKKQLVNALTPDRLSDMGGGATFFSGRVQIEKV 3ML1 Chain:A ((6-802)) --DSEVTKLKWSKAPCR-FCGTGCGVTVAVKDNKVVATQGDPQAEVNKGLNCVKGYFLSKIMYGQDRLTRPLMRMKNGKYDKNGDFAPVTWDQAFDEMERQFKRVLKEKGPTAVGMFGSGQWTVWEGY---AAAKLYKAGFRSNNIDPNARHCMASAAAGFMRTFGMDEPMGCYDDFEAADAFVLWGSNMAEMHPILWTRVTDRRLSHPKTRVVVLSTFTHRCFDLADIGIIFKPQTDLAMLNYIANYIIRNNKVNKDFVNKHTVFKEGVTDIGYGLRPDHPLQKAAKNASDPGAAKVITFDEFAKFVSKYDADYVSKLSAVPKAKLDQLAELYADPNIKVMSLWTMGFNQHTRGTWANNMVYNLHLLTGKIATPGNSPFSLTGQPSACGTAREVGTFSHRLPADMVVTNPKHREEAERIWKLPPGTIPDKPGYDAVLQNRM-LKDGKLNAYWVQVNNNMQAAAN--L-MEEGLPGYRNPANFIVVSDAYPTVTALAADLVLPSAMWVEKEGAYGNA-ERRTQFWHQLVDAPGEARSDLWQLVEFAKRFKVEEVWPPELIAKKPEYKGKTLYDVLYRNGQVDKFPLKDVNAEYHNAEAKAFGFYLQKGLFEEYATFGRGHGHDLAPFDAYHEARGLRWPVVNGKETRWRYREGSDPYVKAGTGFQFYGNPDGKAVIFALP-YEPPAESPDKEYPYWLVTGRVLEHWHSGSMTRRVPELYRSF-PNAVVFMHPEDAKALGLRRGVEVEVVSRRGRMRSRIETRGRDAPPRGLVFVPWFD-----ASQLINKVTLDATCPISLQTDFKKCAVKIVKV

General information: TITO was launched using: RESULT: Template: 3ML1.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 : 4142 68993 16.66 104.22 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 16.66 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.441

(partial model without unconserved sides chains): PDB file : Tito_3ML1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ML1-query.scw PDB file : Tito_Scwrl_3ML1.pdb: