Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKSVTQENSVPVIGQRFRGFLPVVVDVETAGFNAQTDALLEIACIPIVYDAQGQFVPGPAFHAHINPFEGANLDRRSLDFIGIDPFNPMRIAMAEDERTALRRIFKSVNEVRKQQHCTHAVLVGHNAHFDLGFLQAAIARSGTKNQNPFHSFSVMDTVTLSAVMFGQTVLAKACIQAGIEFDGKEAHSALYDTQKTAELFCYILNKLSPYLLDSLVAAS 3NH2 Chain:A ((33-221)) ----------------RFRGFYPVVIDVETAGFNAKTDALLEIAAITLKMDEQGWLMPDTTLHFHVEPFVGANLQPEALAFNGIDPNDPDRGAVSEYE--ALHEIFKVVRKGIKASGCNRAIMVAHNANFDHSFMMAAAERASLK-RNPFHPFATFDTAALAGLALGQTVLSKACQTAGMDFDS-----ALYDTERTAVLFCEIVNRW------------

General information: TITO was launched using: RESULT: Template: 3NH2.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 : 940 -132352 -140.80 -719.30 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -140.80 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.452

(partial model without unconserved sides chains): PDB file : Tito_3NH2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NH2-query.scw PDB file : Tito_Scwrl_3NH2.pdb: