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 3SZG Chain:A ((14-540)) ----RVAACTHHTTIGDPAANAASVLDMARACHDDGAALAVFPELTLSGYSIEDVLLQDSLLDAVEDALLDLVTESADLLPVLVVGAPLRHRHRIYNTAVVIHRGAVLGVVPKSYLPTYREFYERRQMAPGDGERGTIRIGGADVAFGTDLLFAASDLPGFVLHVEIAEDMFVPMPPSAEAALAGATVLANLSGSPITIGRAEDRRLLARSASARCLAAYVYAAAGEGESTTDLAWDGQTMIW-ENGALLAESERFPKGVRRSVADVDTELLRSERLRMGTFDDNRRHHRELTESFRRIDFALDPPAGDIGLLREVERFPFVPADPQRLQQDCYEAYNIQVSGLEQRLRALDYPKVVIGVSGGLDSTHALIVATHAMDREGRPRSDILAFALPGF------KNNAIKLARALGVTFSEIDIGDTARLMLHTIGH--------DVTFENVQAGLRTDYLFRIANQRGGIVLGTGDLSELALGWSTYGVGDQMSHYNVNAGVPKTLIQHLIRWVISAGE--------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3SZG.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 : 2260 -72498 -32.08 -173.44 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -32.08 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.453

(partial model without unconserved sides chains): PDB file : Tito_3SZG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SZG-query.scw PDB file : Tito_Scwrl_3SZG.pdb: