Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKSKKHGKPVKGASKKGSKHDKSKRKAKFIDPTSSVSRDVRETVAALVQEIEREEPVAEEKLQPLKKGKKCQEIAEKEGILVKTGMTKEQAHTIANRLKQQQSTTHRSDGEGDVGSDGGGDGDGGGTEEDYSDTANEPSREYRKGGYHHVVIGEVYNDRYRVVKKLGWGYFSTVWLVWDY-QKERYQAMKIQKSAASYSEAAYDEIKLLSEIMEADPHKNRCCARLNDYFKHTGPNGTHVCMLFDVYGENLLSLMERYEY-RGIPLPIVKCIARQVLIGLDHINSIDIIHTDLKPENVLLSTPKHSIISLMKHFHPPPLHQRPKLTERDPKTMTKSQRRRYYKKLAKEERKTLLGEDDGDHKSRGDEHGSNENGDADSEGSKTDPEWEVERFHHVILADFGNSCWTHKQ-FTDEVQTRQYRCPEVILGEPYSTPIDIWSCACMIFELITGQFLFDPKKGDDYSRDEDHLALMSELLGDLPESMRLGDGKYRSYYYNSKG--------DLRNIKDLQYW---VLEDVLH---QR---HKFTKKKAKEIADFLLPMLEYAPDTRATPAAMLRDHDAFFDIQDDDYAPLCFVDEDSGDEEGSASDEEEEETDSDDSSQSYSSAPSSELTAKRSRQPDNDADRSDTFRYWEEHPILNRTYLEERGLTIADIQSVLAGNFLDDAAAHEAAAEVIRLLSEETDRLSNDHGSDGHEADNEDGGDGDNDDEEETTQGSEGPEKVVVGKAAPCDDGVDEDEETTDEEEEGSSDGAE 4IJP Chain:B ((13-350)) ---------------------------------------------------------------------------------------------------------------------------------------------WTDAEGYYRVNIGEVLDKRYNVYGYTGQGVFSNVVRARDNARANQEVAVKIIRNNELMQKTGLKELEFLKKLNDADPDDKFHCLRLFRHFYH----KQHLCLVFEPLSMNLREVLKKYGKDVGLHIKAVRSYSQQLFLALKLLKRCNILHADIKPDNILVNESK----------------------------------------------------------------------------------------TILKLCDFGSASHVADNDITPYLVSRFYRAPEIIIGKSYDYGIDMWSVGCTLYELYTGKILFPGKTNN------HMLKLAMDLKGKMPNKMIRKG-VFKDQHFDQNLNFMYIEVD---REKVTVMSTINPTKDLLADLIGCQRLPEDQRKKVHQLKDLLDQILMLDPAKRISINQALQH--AFIQE---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4IJP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1530 -19839 -12.97 -63.18 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : -12.97 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.399

(partial model without unconserved sides chains): PDB file : Tito_4IJP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IJP-query.scw PDB file : Tito_Scwrl_4IJP.pdb: