Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKKLAVCLSIVLLLLGAASPISAHTVYPVNPNAQQTTKDIMNWLAHLPNRSENRVMSGAFGGYSDVTFSMTEENRLKNATGQSPAIYGCDYGRGWLETADITDTIDYCCNSSLISYWKSGGLPQVSLHLANPAFPSGNYKTAISNSQYKNILDPSTVEGKRLEALLSKIADGLTQLKNQGVTVLFRPLHEMNGEWFWWGLTGYNQKDNERISLYKELYKKIYRYMTETRGLDNLLWVYSPDANR----DFKTDFYPGSSYVDITGLDAYFTDPY-------------AISGYDEMLSLKKPFAFAETGPSGN--IGSFDYAAFINAIRQKYPQTTYFLTWDEQLSPAANQGAQSLYQNSWTLNKGEIWNGGSLTPIAE 2V3G Chain:A ((8-259)) ------------------------------------------------------GLKIGAWVGTQP---SESAIKSFQELQGRKLDIVHQ-FIN-WSTDF-------SWVRPYADAVYNNGSILMITWEPWEYN--------------TVDIK------NGKADAYITRMAQDMKA---YGKEIWLRPLHEANGDWYPWAIGYSS--RVNTNETYIAAFRHIVDIFR-ANGATNVKWVFNVNCDNVGNGTSYLGHYPGDNYVDYTSIDGYNWGTTQSWGSQWQSFDQVFSRAYQALASINKPIIIAEFASAEIGGNKARWITEAYNSIRTSYNKVIAAVWFHEN-----------------------------------

General information: TITO was launched using: RESULT: Template: 2V3G.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 : 1221 -129605 -106.15 -556.24 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -106.15 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.427

(partial model without unconserved sides chains): PDB file : Tito_2V3G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2V3G-query.scw PDB file : Tito_Scwrl_2V3G.pdb: