Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSFKVALAQFSPHIGNIDSNTQKMIEQANQAKKQDADLIIFPELSVIGYPAEDLLLRPNLNKRMQKAFAQL-SEVKDIVMVFGFVNQTEDGQR-YNSAAVMKDGQVLGVFNKHNLPNYGVFDEKRYFQKGHQH----------------LVF---EYLGHKFGVLICEDIWSINTVKQLSQLNVDTVLV-LNSSPYEVGKPQHRKQTLSELAKQLHLNTVYVNQVGGQD--DLIFDGTSFVSNQNGEIALQAPSF-----------------KEDLYIAEFDR------------------------DTKLYKVVESAPAL--------ETFAEIYQGLVMATRDYVERSGFPGVILGLSGGIDSALTLAIAVDAIGAE-----RVQAVMMPYTYTSQISVEDAAEQARRMGVTFGIAEIHSIVNSFMQTL-YPFFGNSPADATEENLQARARGTLLMGLSNKFGNLVLSTGNKSELSVGYCTL-YGDMVGGFAVLKDVYKTIVFELAKYRNSLSETPVIPERVITRPPSAELRPDQKDQDSLPAYDVLDAILYAYIEEDLGQADIIAKGFDKEVVEKVIRLVDRNEYKRRQGAIGPRITSRAFSRERRYPIVNGWTAND 3DLA Chain:A ((14-541)) ----RVAACTHHTTIGDPAANAASVLDMARACHDDGAALAVFPELTLSGYSIEDVLLQDSLLDAVEDALLDLVTESADLLPVLVVGAPLRHRHRIYNTAVVIHRGAVLGVVPKSYLPTYREFYERRQMAPGDGERGTIRIGGADVAFGTDLLFAASDLPGFVLHVEICEDMFVPMPPSAEAALAGATVLANLSGSPITIGRAEDRRLLARSASARCLAAYVYAAAGEGESTTDLAWDGQTMIW-ENGALLAESERFPKGVRRSVADVDTELLRSERLRMGTFDDNRRHHRELTESFRRIDFALDPPAGDIGLLREVERFPFVPADPQRLQQDCYEAYNIQVSGLEQRLRALDYPKVVIGVSGGLDSTHALIVATHAMDREGRPRSDILAFALPG-----HTKNNAIKLARALGVTFSEIDIGDTARLMLHTIGH--------DVTFENVQAGLRTDYLFRIANQRGGIVLGTGDLSELALGWSTYGVGDQMSHYNVNAGVPKTLIQHLIRWVISAGE--------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3DLA.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 : 2277 -51097 -22.44 -121.95 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -22.44 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.451

(partial model without unconserved sides chains): PDB file : Tito_3DLA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DLA-query.scw PDB file : Tito_Scwrl_3DLA.pdb: