Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTLLQLQDVTYRYKNTAEAVLYQINYNFEPGKFYSIIGESGAGKSTLLSLLAGLDSPVEGSILFQGEDIRKKGYSYHRMHHISLVFQNYNLIDYLSPLENIQLVNKKAS-----KDTLLELGLDE----------SQIKRNVLQLSGGQQQRVAIARSLVSEAPVILADEPTGNLDPKTAGDIVELLKSLAQKTGKCVIVVTHSKEVAQASDITLELKDKKLTETRNTSK 3B60 Chain:D ((341-562)) --DLEFRNVTFTYPGREVPALRNINLKIPAGKTVALVGRSGSGKSTIASLITRFYDIDEGHILMDGHDLREYTLASL-RNQVALVSQNVHLFND-TVANNIAYARTEEYSREQIEEAARMAYAMDFINKMDNGLDTIIGENGVLLSGGQRQRIAIARALLRDSPILILDEATSALDTESERAIQAALDELQ--KNRTSLVIAHRLSTIEQADEIVVVEDGIIVERGTH--

General information: TITO was launched using: RESULT: Template: 3B60.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1039 -76377 -73.51 -368.97 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain D : 0.76 3D Compatibility (PKB) : -73.51 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_3B60.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B60-query.scw PDB file : Tito_Scwrl_3B60.pdb: