Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSRTKNLLSHEDIQRLVKVNFGEE-YEHKIGEIKELKGGMFNAIYLIQRVDEKNGIVLKVGVAPGRDLLTYEQDIMPTEVACYQLIKEKTSIPIPEILKYDFSKKYIDSNYFFMEELKGVPLSKASKLMNKPSLDKIKSKLAEYLVQLHKIEG-NYFGYFTDE-------KKYQYDTWKNAFLS-MFGQLLEDCKFHKVN-IPYERIEQALKYNIQFLE-EIKKPSLVMFDCHEGNVFVNKRNGEYEIQGIIDFERAFWGDPAADFPAAFIMSDDIRKEEAFLASYFEKSDTKKEYTRDDEIRFQMYRMYILTVMAGETFRYGPLYAKMQREWAKSGILKCLEILED 3JR1 Chain:A ((16-309)) -----YFQGMWKSISQVLAEQFGAYYF---IKHKEKLYSGEMNEIWLINDE-VQ-TVFVKINERSY-------RSMFRAEADQLALLAKTNSINVPLVYGIGNS---QGHSFLLLEALNKSKN-----------KQSSFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEKGLIFGNIDLIVQIVAD---TLSKHNPKPSILHGNLWIENCIQVD----DKIF-VCNP-ACYWGDRECDIAFSSLFE---PFPTNFYQRYNEIYPL----EEGYLERKLIYQLYYLLNFSYRYYN-K--KQ-SYVSLTQKLINQILHK---

General information: TITO was launched using: RESULT: Template: 3JR1.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 : 1394 3064 2.20 10.86 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 2.20 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.359

(partial model without unconserved sides chains): PDB file : Tito_3JR1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3jr1-query.scw PDB file : Tito_Scwrl_3JR1.pdb: