Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------MKSFKVALAQFSPHIGNIDSNTQKMIEQANQAKKQDADLIIFPELSVIGYPAEDLLLRPNLNKRMQKAFAQLSEVKD---IVMVFGFVNQTEDGQRYNSAAVMKDGQVLGVFNKHNLPNYGVFDEKRYFQKGH----------------QHLVFEYLGH---KFGVLICEDIWS-INTVKQLSQLNVDTVLVLNSSPYEVGKPQHRKQTLSELAKQLHLNTVYVNQVGGQD--DLIFDGTSFVSNQNGEIALQAPSFKEDLYIAEFDRDTKLYKVVES-------------------------------------------------APALETFAEIYQGLVMATRDYVERSGFPGVILGLSGGIDSALTLAIAVDAIG-----AERVQAVMMPYTYTSQISVEDAAEQARRMGVTFGIAEIHSIVNSFMQTLYPFFGNSPADATEENLQARARGTLLMGLSNKFGNLVLSTGNKSELSVGYCTL-YGDMVGGFAVLKDVYKTIVFELAKYRNSL----SETPVIPERVITRPPSAELRPDQKDQDSL--------PAYDVLDAILYAYIEED-----LGQADIIAKGFDKEVVEKVI-----RLVDRNEYKRRQGAIGPRI------TSRAFSRERRYPIVNGWTAND------- 3DLA Chain:A ((1-680)) SMNFYSAYQHGFVRVAACTHHTTIGDPAANAASVLDMARACHDDGAALAVFPELTLSGYSIEDVLLQDSLLDAVEDALLDLVTESADLLPVLVVGAPLRH-RHRIYNTAVVIHRGAVLGVVPKSYLPTYREFYERRQMAPGDGERGTIRIGGADVAFGTDLLFAASDLPGFVLHVEICEDMFVPMPPSAEAALAGATVLANLSGSPITIGRAEDRRLLARSASARCLAAYVYAAAGEGESTTDLAWDGQTMIWE-NGALLAESERFPKGVRRSVADVDTELLRSERLRMGTFDDNRRHHRELTESFRRIDFALDPPAGDIGLLREVERFPFVPADPQRLQQDCYEAYNIQVSGLEQRLRALDYPKVVIGVSGGLDSTHALIVATHAMDREGRPRSDILAFALPGH-----TKNNAIKLARALGVTFSEIDIGDTARLMLHTI-------GHDVTFENVQAGLRTDYLFRIANQRGGIVLGTGDLSELALGWSTYGVGDQMSHYNVNAGVPKTLIQHLIRWVISAGEFGEKVGEVLQSVLDTEITAKVGPFALQDFSLFQVLRYGFRPSKIAFLAWHAWNDAERGNWPPGFPKSERPSYSLAEIRHWLQIFVQRFYSFSQFKRSALPNGPKVSHGGALSPRGDWRAPSDMSARIWLDQIDREVPKG

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 : 3018 35473 11.75 67.31 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 11.75 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.442

(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: