
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  139 ( 1107),  selected  118 , name one
# Molecule2: number of CA atoms  118 (  945),  selected  118 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      21_B - 138_B       0.67     0.67
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      21_B - 138_B       0.67     0.67
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      21_B - 138_B       0.67     0.67
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  118
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     M    21_B     M    21_B    118  118  118      0    3    4   69  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    22_B     A    22_B    118  118  118      4    7   26   47  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    23_B     S    23_B    118  118  118     15  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    24_B     M    24_B    118  118  118     65  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    25_B     Y    25_B    118  118  118     44  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    26_B     A    26_B    118  118  118     67  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    27_B     K    27_B    118  118  118     53  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H    28_B     H    28_B    118  118  118     46  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    29_B     S    29_B    118  118  118     65  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    30_B     A    30_B    118  118  118     37  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    31_B     Q    31_B    118  118  118     32  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     N    32_B     N    32_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    33_B     Y    33_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    34_B     Q    34_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    35_B     P    35_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    36_B     L    36_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    37_B     L    37_B    118  118  118     87  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    38_B     P    38_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    39_B     G    39_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    40_B     I    40_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    41_B     K    41_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    42_B     I    42_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    43_B     K    43_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    44_B     T    44_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    45_B     L    45_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V    46_B     V    46_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    47_B     Y    47_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    48_B     G    48_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    49_B     E    49_B    118  118  118     84  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    50_B     L    50_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    51_B     T    51_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    52_B     L    52_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    53_B     M    53_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    54_B     T    54_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    55_B     E    55_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     F    56_B     F    56_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V    57_B     V    57_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    58_B     M    58_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    59_B     D    59_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    60_B     K    60_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    61_B     G    61_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    62_B     S    62_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    63_B     S    63_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    64_B     L    64_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    65_B     P    65_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    66_B     D    66_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H    67_B     H    67_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    68_B     T    68_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H    69_B     H    69_B    118  118  118     57  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    70_B     P    70_B    118  118  118     57  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    71_B     Y    71_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    72_B     E    72_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    73_B     Q    73_B    118  118  118     83  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    74_B     T    74_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    75_B     G    75_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    76_B     Y    76_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    77_B     L    77_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V    78_B     V    78_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    79_B     S    79_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    80_B     G    80_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    81_B     K    81_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    82_B     I    82_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    83_B     I    83_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    84_B     L    84_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    85_B     Y    85_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    86_B     I    86_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    87_B     E    87_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    88_B     D    88_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    89_B     K    89_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    90_B     K    90_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    91_B     Q    91_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    92_B     Q    92_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    93_B     I    93_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    94_B     M    94_B    118  118  118     86  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    95_B     A    95_B    118  118  118     84  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    96_B     G    96_B    118  118  118     78  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    97_B     D    97_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    98_B     S    98_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     W    99_B     W    99_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     C   100_B     C   100_B    118  118  118     31  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I   101_B     I   101_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P   102_B     P   102_B    118  118  118     14  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K   103_B     K   103_B    118  118  118     33  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     N   104_B     N   104_B    118  118  118     57  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   105_B     V   105_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H   106_B     H   106_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H   107_B     H   107_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H   108_B     H   108_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A   109_B     A   109_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   110_B     E   110_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I   111_B     I   111_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L   112_B     L   112_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   113_B     E   113_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     N   114_B     N   114_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S   115_B     S   115_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   116_B     V   116_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A   117_B     A   117_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   118_B     V   118_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   119_B     E   119_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   120_B     V   120_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     F   121_B     F   121_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A   122_B     A   122_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P   123_B     P   123_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T   124_B     T   124_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     R   125_B     R   125_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   126_B     E   126_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   127_B     E   127_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y   128_B     Y   128_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I   129_B     I   129_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K   130_B     K   130_B    118  118  118     43  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y   131_B     Y   131_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L   132_B     L   132_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D   133_B     D   133_B    118  118  118     83  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     R   134_B     R   134_B    118  118  118     81  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T   135_B     T   135_B    118  118  118     66  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T   136_B     T   136_B    118  118  118     67  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   137_B     V   137_B    118  118  118     66  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   138_B     V   138_B    118  118  118     19  102  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     88    114    116    116    117    117    118    118    118    118    118    118    118    118    118    118    118    118    118    118 
GDT PERCENT_AT  74.58  96.61  98.31  98.31  99.15  99.15 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.47   0.50   0.50   0.58   0.58   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67
GDT RMS_ALL_AT   0.72   0.68   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67

# Checking swapping
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  F    56_B      F    56_B
#   possible swapping detected:  D    66_B      D    66_B
#   possible swapping detected:  E    72_B      E    72_B
#   possible swapping detected:  Y    85_B      Y    85_B
#   possible swapping detected:  E    87_B      E    87_B
#   possible swapping detected:  E   110_B      E   110_B
#   possible swapping detected:  E   119_B      E   119_B
#   possible swapping detected:  E   126_B      E   126_B
#   possible swapping detected:  E   127_B      E   127_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M    21_B      M    21_B     3.725     0    0.218   1.108     9.036   52.024   31.071
LGA    A    22_B      A    22_B     3.124     0    0.607   0.587     5.828   59.167   51.619
LGA    S    23_B      S    23_B     1.039     0    0.059   0.588     2.559   79.286   79.048
LGA    M    24_B      M    24_B     0.701     0    0.013   0.524     1.959   90.476   86.131
LGA    Y    25_B      Y    25_B     0.914     0    0.090   0.133     1.069   90.476   89.722
LGA    A    26_B      A    26_B     0.574     0    0.065   0.077     0.713   90.476   92.381
LGA    K    27_B      K    27_B     0.776     0    0.022   0.649     3.499   90.476   80.476
LGA    H    28_B      H    28_B     0.874     0    0.032   0.124     1.277   90.476   86.857
LGA    S    29_B      S    29_B     0.626     0    0.051   0.125     0.842   90.476   92.063
LGA    A    30_B      A    30_B     0.718     0    0.021   0.023     0.801   90.476   90.476
LGA    Q    31_B      Q    31_B     1.014     0    0.060   1.200     4.293   88.214   75.767
LGA    N    32_B      N    32_B     0.454     0    0.041   0.509     1.461   97.619   94.107
LGA    Y    33_B      Y    33_B     0.493     0    0.105   0.124     1.114   90.595   95.278
LGA    Q    34_B      Q    34_B     0.467     0    0.020   1.065     2.337   97.619   91.111
LGA    P    35_B      P    35_B     0.477     0    0.053   0.212     0.912  100.000   98.639
LGA    L    36_B      L    36_B     0.591     0    0.004   0.258     0.763   90.476   90.476
LGA    L    37_B      L    37_B     0.574     0    0.038   0.094     0.913   95.238   92.857
LGA    P    38_B      P    38_B     0.510     0    0.016   0.048     0.688   95.238   93.197
LGA    G    39_B      G    39_B     0.345     0    0.063   0.063     0.501   97.619   97.619
LGA    I    40_B      I    40_B     0.479     0    0.030   0.628     1.606  100.000   94.226
LGA    K    41_B      K    41_B     0.138     0    0.018   0.892     2.765  100.000   91.323
LGA    I    42_B      I    42_B     0.372     0    0.006   0.110     0.524  100.000   98.810
LGA    K    43_B      K    43_B     0.429     0    0.058   0.499     1.716  100.000   92.804
LGA    T    44_B      T    44_B     0.208     0    0.020   0.051     0.320  100.000  100.000
LGA    L    45_B      L    45_B     0.272     0    0.074   0.094     0.622   97.619   98.810
LGA    V    46_B      V    46_B     0.236     0    0.050   1.200     2.578  100.000   88.844
LGA    Y    47_B      Y    47_B     0.243     0    0.021   0.159     0.744  100.000   97.619
LGA    G    48_B      G    48_B     0.297     0    0.034   0.034     0.619   97.619   97.619
LGA    E    49_B      E    49_B     0.434     0    0.039   0.352     1.417   97.619   93.757
LGA    L    50_B      L    50_B     0.198     0    0.032   0.125     0.697  100.000   97.619
LGA    T    51_B      T    51_B     0.198     0    0.044   0.067     0.586   97.619   98.639
LGA    L    52_B      L    52_B     0.246     0    0.026   0.168     0.767  100.000   97.619
LGA    M    53_B      M    53_B     0.237     0    0.017   0.078     0.331  100.000  100.000
LGA    T    54_B      T    54_B     0.418     0    0.036   0.052     0.470  100.000  100.000
LGA    E    55_B      E    55_B     0.313     0    0.048   0.201     1.406  100.000   94.762
LGA    F    56_B      F    56_B     0.492     0    0.082   0.204     0.670   97.619   93.939
LGA    V    57_B      V    57_B     0.422     0    0.030   0.084     0.670  100.000   95.918
LGA    M    58_B      M    58_B     0.327     0    0.040   0.148     0.538   97.619   98.810
LGA    D    59_B      D    59_B     0.368     0    0.020   0.478     1.434  100.000   92.976
LGA    K    60_B      K    60_B     0.470     0    0.005   0.111     1.212  100.000   92.698
LGA    G    61_B      G    61_B     0.443     0    0.021   0.021     0.513   97.619   97.619
LGA    S    62_B      S    62_B     0.292     0    0.022   0.075     0.426  100.000  100.000
LGA    S    63_B      S    63_B     0.360     0    0.021   0.060     0.709  100.000   98.413
LGA    L    64_B      L    64_B     0.477     0    0.043   0.735     2.998   95.238   86.429
LGA    P    65_B      P    65_B     0.467     0    0.025   0.057     0.656   97.619   95.918
LGA    D    66_B      D    66_B     0.147     0    0.011   0.534     1.415  100.000   95.357
LGA    H    67_B      H    67_B     0.264     0    0.068   0.125     0.677   97.619   97.143
LGA    T    68_B      T    68_B     0.190     0    0.062   1.097     2.701  100.000   88.844
LGA    H    69_B      H    69_B     0.614     0    0.088   0.206     0.866   92.857   93.333
LGA    P    70_B      P    70_B     0.688     0    0.118   0.104     1.382   88.214   89.184
LGA    Y    71_B      Y    71_B     0.504     0    0.035   0.120     0.706   92.857   92.857
LGA    E    72_B      E    72_B     0.513     0    0.016   0.273     1.395   95.238   91.587
LGA    Q    73_B      Q    73_B     0.602     0    0.055   0.176     0.705   90.476   90.476
LGA    T    74_B      T    74_B     0.447     0    0.039   1.165     2.273   97.619   87.211
LGA    G    75_B      G    75_B     0.423     0    0.023   0.023     0.440  100.000  100.000
LGA    Y    76_B      Y    76_B     0.409     0    0.032   0.160     1.397  100.000   90.635
LGA    L    77_B      L    77_B     0.383     0    0.016   0.193     0.806   97.619   95.238
LGA    V    78_B      V    78_B     0.543     0    0.039   0.050     0.631   90.476   90.476
LGA    S    79_B      S    79_B     0.469     0    0.049   0.077     0.504  100.000   98.413
LGA    G    80_B      G    80_B     0.512     0    0.029   0.029     0.516   92.857   92.857
LGA    K    81_B      K    81_B     0.459     0    0.027   0.597     2.553  100.000   89.206
LGA    I    82_B      I    82_B     0.428     0    0.023   0.042     0.528   97.619   98.810
LGA    I    83_B      I    83_B     0.419     0    0.053   0.063     0.762  100.000   95.238
LGA    L    84_B      L    84_B     0.445     0    0.042   0.113     0.622  100.000   98.810
LGA    Y    85_B      Y    85_B     0.559     0    0.058   0.059     0.633   92.857   91.270
LGA    I    86_B      I    86_B     0.492     0    0.055   0.119     0.683   95.238   95.238
LGA    E    87_B      E    87_B     0.439     0    0.033   0.435     2.549  100.000   87.249
LGA    D    88_B      D    88_B     0.530     0    0.096   0.153     1.582   92.857   88.333
LGA    K    89_B      K    89_B     0.453     0    0.025   0.629     2.620   95.238   88.148
LGA    K    90_B      K    90_B     0.512     0    0.049   0.110     1.098   90.476   88.466
LGA    Q    91_B      Q    91_B     0.344     0    0.013   0.592     2.356  100.000   84.339
LGA    Q    92_B      Q    92_B     0.433     0    0.018   0.234     0.821   95.238   96.825
LGA    I    93_B      I    93_B     0.467     0    0.018   0.167     0.990   95.238   94.048
LGA    M    94_B      M    94_B     0.812     0    0.053   0.456     2.669   90.476   79.881
LGA    A    95_B      A    95_B     0.840     0    0.005   0.006     1.006   90.476   88.667
LGA    G    96_B      G    96_B     0.725     0    0.022   0.022     0.763   90.476   90.476
LGA    D    97_B      D    97_B     0.384     0    0.014   0.106     0.780  100.000   96.429
LGA    S    98_B      S    98_B     0.365     0    0.022   0.072     0.655   97.619   96.825
LGA    W    99_B      W    99_B     0.461     0    0.065   0.094     0.552   97.619   97.279
LGA    C   100_B      C   100_B     0.696     0    0.050   0.064     1.169   88.214   87.460
LGA    I   101_B      I   101_B     0.249     0    0.025   0.060     0.674  100.000   98.810
LGA    P   102_B      P   102_B     0.785     0    0.017   0.061     0.992   92.857   91.837
LGA    K   103_B      K   103_B     1.018     0    0.022   1.232     3.650   88.214   78.307
LGA    N   104_B      N   104_B     0.677     0    0.058   0.345     1.043   92.857   90.536
LGA    V   105_B      V   105_B     0.130     0    0.014   0.027     0.515  100.000   98.639
LGA    H   106_B      H   106_B     0.406     0    0.013   0.117     1.348  100.000   91.571
LGA    H   107_B      H   107_B     0.390     0    0.055   0.096     0.454  100.000  100.000
LGA    H   108_B      H   108_B     0.283     0    0.036   1.136     2.264  100.000   88.381
LGA    A   109_B      A   109_B     0.442     0    0.009   0.011     0.478  100.000  100.000
LGA    E   110_B      E   110_B     0.359     0    0.035   0.748     2.972  100.000   85.503
LGA    I   111_B      I   111_B     0.098     0    0.042   0.106     0.511  100.000   98.810
LGA    L   112_B      L   112_B     0.338     0    0.032   0.046     0.759   97.619   95.238
LGA    E   113_B      E   113_B     0.256     0    0.060   1.066     4.221  100.000   82.169
LGA    N   114_B      N   114_B     0.285     0    0.077   0.205     0.640   97.619   97.619
LGA    S   115_B      S   115_B     0.312     0    0.018   0.078     0.400  100.000  100.000
LGA    V   116_B      V   116_B     0.230     0    0.042   0.057     0.501  100.000   98.639
LGA    A   117_B      A   117_B     0.255     0    0.014   0.015     0.354  100.000  100.000
LGA    V   118_B      V   118_B     0.292     0    0.038   0.068     0.433  100.000  100.000
LGA    E   119_B      E   119_B     0.248     0    0.070   0.708     2.405   97.619   91.852
LGA    V   120_B      V   120_B     0.267     0    0.015   0.068     0.464  100.000  100.000
LGA    F   121_B      F   121_B     0.228     0    0.047   0.078     0.461  100.000  100.000
LGA    A   122_B      A   122_B     0.189     0    0.043   0.041     0.504   97.619   98.095
LGA    P   123_B      P   123_B     0.223     0    0.020   0.067     0.442  100.000  100.000
LGA    T   124_B      T   124_B     0.432     0    0.046   0.152     0.835   97.619   94.558
LGA    R   125_B      R   125_B     0.303     0    0.053   0.089     0.517  100.000   99.134
LGA    E   126_B      E   126_B     0.626     0    0.012   0.955     3.849   97.619   80.053
LGA    E   127_B      E   127_B     0.277     0    0.087   0.863     5.331  100.000   74.603
LGA    Y   128_B      Y   128_B     0.204     0    0.027   0.133     0.507  100.000   99.206
LGA    I   129_B      I   129_B     0.545     0    0.026   0.077     0.792   92.857   91.667
LGA    K   130_B      K   130_B     0.781     0    0.033   0.211     2.561   90.476   80.847
LGA    Y   131_B      Y   131_B     0.574     0    0.025   0.132     1.313   95.238   89.048
LGA    L   132_B      L   132_B     0.213     0    0.027   0.189     0.405  100.000  100.000
LGA    D   133_B      D   133_B     0.457     0    0.038   0.074     1.005   95.238   91.726
LGA    R   134_B      R   134_B     0.465     0    0.051   1.057     8.599  100.000   60.563
LGA    T   135_B      T   135_B     0.589     0    0.020   0.083     0.934   90.476   90.476
LGA    T   136_B      T   136_B     0.573     0    0.024   0.110     0.763   90.476   90.476
LGA    V   137_B      V   137_B     0.619     0    0.038   0.070     0.888   90.476   91.837
LGA    V   138_B      V   138_B     1.381     0    0.012   0.182     1.807   85.952   81.565

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      118     472    472  100.00     945    945  100.00               118
SUMMARY(RMSD_GDC):     0.671          0.651                  1.169           95.669   91.800

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  139  118    4.0    118    0.67    98.729    99.379    15.307

LGA_LOCAL      RMSD:   0.671  Number of atoms:  118  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.671  Number of assigned atoms:  118 
Std_ASGN_ATOMS RMSD:   0.671  Standard rmsd on all 118 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.728795 * X  +   0.150207 * Y  +  -0.668053 * Z  + -34.357960
  Y_new =  -0.342593 * X  +  -0.764754 * Y  +  -0.545693 * Z  +  26.161869
  Z_new =  -0.592863 * X  +   0.626569 * Y  +  -0.505889 * Z  +   2.645164 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.439428  0.634610  2.250031   [DEG:  -25.1774   36.3605  128.9173 ]
ZXZ: -0.885871  2.101209 -0.757765   [DEG:  -50.7567  120.3904  -43.4167 ]
 
# END of job
