
#######################################################
#                                                     #
#                        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  173 ( 1303),  selected  127 , name one
# Molecule2: number of CA atoms  127 (  962),  selected  127 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127      23_A - 149_A       1.54     1.54
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127      23_A - 149_A       1.54     1.54
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   102      23_A - 124_A       0.99     1.61
  LONGEST_CONTINUOUS_SEGMENT:   102      24_A - 125_A       1.00     1.59
  LCS_AVERAGE:     66.98

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  127
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     E    23_A     E    23_A    102  127  127      4   10   66  109  113  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    24_A     V    24_A    102  127  127     35  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    25_A     Q    25_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    26_A     L    26_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    27_A     V    27_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    28_A     E    28_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    29_A     S    29_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    30_A     G    30_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    31_A     G    31_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    32_A     G    32_A    102  127  127     82  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    33_A     S    33_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    34_A     V    34_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    35_A     Q    35_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    36_A     A    36_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    37_A     G    37_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    38_A     G    38_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    39_A     S    39_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    40_A     L    40_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    41_A     R    41_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    42_A     L    42_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    43_A     S    43_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     C    44_A     C    44_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    45_A     A    45_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    46_A     A    46_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    47_A     S    47_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    48_A     A    48_A    102  127  127     28  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    49_A     F    49_A    102  127  127     48  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    50_A     G    50_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    51_A     N    51_A    102  127  127     82  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    52_A     Y    52_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    53_A     M    53_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    54_A     G    54_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W    55_A     W    55_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    56_A     F    56_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    57_A     R    57_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    58_A     Q    58_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    59_A     A    59_A    102  127  127     80  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P    60_A     P    60_A    102  127  127     70  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    61_A     G    61_A    102  127  127     70  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    62_A     K    62_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    63_A     E    63_A    102  127  127     83  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    64_A     R    64_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    65_A     E    65_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    66_A     G    66_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    67_A     V    67_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    68_A     A    68_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    69_A     A    69_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    70_A     I    70_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    71_A     R    71_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    72_A     T    72_A    102  127  127     80  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    73_A     G    73_A    102  127  127     11   94  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    74_A     G    74_A    102  127  127      3    3   19  111  114  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    75_A     G    75_A    102  127  127      3    3    4    7  112  117  119  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    76_A     S    76_A    102  127  127     34   91  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    77_A     T    77_A    102  127  127     80  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    78_A     Y    78_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    79_A     Y    79_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    80_A     T    80_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    81_A     D    81_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    82_A     S    82_A    102  127  127     54  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    83_A     V    83_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    84_A     K    84_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    85_A     G    85_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    86_A     R    86_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    87_A     F    87_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    88_A     T    88_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    89_A     I    89_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    90_A     S    90_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    91_A     Q    91_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    92_A     D    92_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    93_A     K    93_A    102  127  127     28  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    94_A     A    94_A    102  127  127     74  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    95_A     K    95_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    96_A     N    96_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    97_A     T    97_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    98_A     V    98_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    99_A     Y    99_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   100_A     L   100_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   101_A     Q   101_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M   102_A     M   102_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N   103_A     N   103_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   104_A     S   104_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   105_A     L   105_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   106_A     K   106_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   107_A     P   107_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   108_A     E   108_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   109_A     D   109_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   110_A     T   110_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   111_A     A   111_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M   112_A     M   112_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   113_A     Y   113_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   114_A     V   114_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     C   115_A     C   115_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   116_A     A   116_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   117_A     T   117_A    102  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   118_A     A   118_A    102  127  127      3    6  106  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   119_A     G   119_A    102  127  127      3   81  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   120_A     D   120_A    102  127  127     43   97  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R   121_A     R   121_A    102  127  127      4   82  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   122_A     W   122_A    102  127  127      4    6  108  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   123_A     H   123_A    102  127  127      4    4    7   10   36   73  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   124_A     A   124_A    102  127  127      3    6    7   13   37   89  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   125_A     T   125_A    102  127  127      5    9   31   91  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   126_A     D   126_A      7  127  127      5    6   10   25   60  111  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   127_A     A   127_A      7  127  127      5    6   32   72  108  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   128_A     F   128_A      7  127  127      5    9   31  106  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I   129_A     I   129_A      7  127  127      5    9   14   76  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   130_A     L   130_A      4  127  127      4    4   12   51   71  110  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R   131_A     R   131_A      4  127  127      4    4    6   17   38   64  112  123  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   132_A     D   132_A      3  127  127      3    6    7   10   13   42   59   87  115  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   133_A     F   133_A      3  127  127      3    3    3    6   15   48  108  119  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   134_A     V   134_A     16  127  127     26  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   135_A     Y   135_A     16  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   136_A     E   136_A     16  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   137_A     Y   137_A     16  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   138_A     W   138_A     16  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   139_A     G   139_A     16  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   140_A     Q   140_A     16  127  127     80  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   141_A     G   141_A     16  127  127     80  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   142_A     T   142_A     16  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   143_A     Q   143_A     16  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   144_A     V   144_A     16  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   145_A     T   145_A     16  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   146_A     V   146_A     16  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   147_A     S   147_A     16  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   148_A     S   148_A     16  127  127     84  105  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   149_A     A   149_A     16  127  127     21   89  110  113  116  117  121  124  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_AVERAGE  LCS_A:  88.99  (  66.98  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     84    105    110    113    116    117    121    124    125    127    127    127    127    127    127    127    127    127    127    127 
GDT PERCENT_AT  66.14  82.68  86.61  88.98  91.34  92.13  95.28  97.64  98.43 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.26   0.41   0.50   0.59   0.79   0.82   1.11   1.26   1.36   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54
GDT RMS_ALL_AT   1.58   1.60   1.61   1.60   1.58   1.58   1.56   1.56   1.55   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54

# Checking swapping
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  Y    52_A      Y    52_A
#   possible swapping detected:  F    56_A      F    56_A
#   possible swapping detected:  E    63_A      E    63_A
#   possible swapping detected:  E   108_A      E   108_A
#   possible swapping detected:  Y   113_A      Y   113_A
#   possible swapping detected:  F   128_A      F   128_A
#   possible swapping detected:  D   132_A      D   132_A
#   possible swapping detected:  Y   135_A      Y   135_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E    23_A      E    23_A     3.120     0    0.173   0.723     4.621   55.714   49.735
LGA    V    24_A      V    24_A     1.291     0    0.084   0.108     2.062   81.786   78.027
LGA    Q    25_A      Q    25_A     0.547     0    0.090   1.120     5.074   95.238   75.450
LGA    L    26_A      L    26_A     0.213     0    0.027   0.508     1.344  100.000   95.357
LGA    V    27_A      V    27_A     0.218     0    0.077   0.123     0.845  100.000   98.639
LGA    E    28_A      E    28_A     0.157     0    0.090   0.152     0.489  100.000  100.000
LGA    S    29_A      S    29_A     0.123     0    0.039   0.045     0.407  100.000  100.000
LGA    G    30_A      G    30_A     0.157     0    0.050   0.050     0.319  100.000  100.000
LGA    G    31_A      G    31_A     0.309     0    0.035   0.035     0.358  100.000  100.000
LGA    G    32_A      G    32_A     0.601     0    0.044   0.044     0.637   95.238   95.238
LGA    S    33_A      S    33_A     0.329     0    0.020   0.088     0.522  100.000   98.413
LGA    V    34_A      V    34_A     0.334     0    0.027   1.273     2.853  100.000   88.844
LGA    Q    35_A      Q    35_A     0.462     0    0.034   1.177     4.582  100.000   75.767
LGA    A    36_A      A    36_A     0.521     0    0.029   0.031     0.564   95.238   94.286
LGA    G    37_A      G    37_A     0.329     0    0.027   0.027     0.426  100.000  100.000
LGA    G    38_A      G    38_A     0.330     0    0.066   0.066     0.383  100.000  100.000
LGA    S    39_A      S    39_A     0.244     0    0.027   0.114     0.499  100.000  100.000
LGA    L    40_A      L    40_A     0.151     0    0.034   0.088     0.475  100.000  100.000
LGA    R    41_A      R    41_A     0.151     0    0.070   0.740     2.699  100.000   93.506
LGA    L    42_A      L    42_A     0.165     0    0.022   0.064     0.231  100.000  100.000
LGA    S    43_A      S    43_A     0.177     0    0.030   0.073     0.482  100.000  100.000
LGA    C    44_A      C    44_A     0.175     0    0.017   0.034     0.433  100.000  100.000
LGA    A    45_A      A    45_A     0.243     0    0.026   0.053     0.275  100.000  100.000
LGA    A    46_A      A    46_A     0.350     0    0.061   0.089     0.454  100.000  100.000
LGA    S    47_A      S    47_A     0.471     0    0.015   0.116     0.921  100.000   96.825
LGA    A    48_A      A    48_A     0.940     0    0.040   0.070     1.381   90.476   88.667
LGA    F    49_A      F    49_A     0.748     0    0.025   0.513     2.262   90.476   85.801
LGA    G    50_A      G    50_A     0.328     0    0.027   0.027     0.545   97.619   97.619
LGA    N    51_A      N    51_A     0.404     0    0.024   0.231     1.190  100.000   94.107
LGA    Y    52_A      Y    52_A     0.310     0    0.043   1.353     7.196  100.000   67.619
LGA    M    53_A      M    53_A     0.301     0    0.041   0.199     1.257  100.000   96.488
LGA    G    54_A      G    54_A     0.258     0    0.017   0.017     0.258  100.000  100.000
LGA    W    55_A      W    55_A     0.191     0    0.018   0.066     0.256  100.000  100.000
LGA    F    56_A      F    56_A     0.267     0    0.023   0.120     0.566  100.000   98.268
LGA    R    57_A      R    57_A     0.270     0    0.025   0.112     0.618  100.000   99.134
LGA    Q    58_A      Q    58_A     0.370     0    0.032   0.074     0.727  100.000   95.767
LGA    A    59_A      A    59_A     0.589     0    0.052   0.061     0.731   90.476   90.476
LGA    P    60_A      P    60_A     1.026     0    0.024   0.093     1.144   85.952   85.306
LGA    G    61_A      G    61_A     1.177     0    0.138   0.138     1.633   79.286   79.286
LGA    K    62_A      K    62_A     0.919     2    0.024   0.648     1.539   90.476   67.407
LGA    E    63_A      E    63_A     0.830     0    0.032   0.712     2.633   90.476   81.799
LGA    R    64_A      R    64_A     0.519     0    0.061   0.987     3.129   95.238   82.900
LGA    E    65_A      E    65_A     0.355     0    0.091   0.522     1.707  100.000   90.847
LGA    G    66_A      G    66_A     0.490     0    0.026   0.026     0.997   95.238   95.238
LGA    V    67_A      V    67_A     0.487     0    0.063   0.287     1.085   97.619   94.626
LGA    A    68_A      A    68_A     0.382     0    0.032   0.038     0.400  100.000  100.000
LGA    A    69_A      A    69_A     0.368     0    0.042   0.044     0.418  100.000  100.000
LGA    I    70_A      I    70_A     0.320     0    0.044   0.069     0.489  100.000  100.000
LGA    R    71_A      R    71_A     0.406     0    0.027   1.569     9.495   95.238   58.571
LGA    T    72_A      T    72_A     0.701     0    0.041   0.856     1.943   88.214   85.510
LGA    G    73_A      G    73_A     1.230     0    0.547   0.547     3.382   73.690   73.690
LGA    G    74_A      G    74_A     2.498     0    0.660   0.660     2.556   67.024   67.024
LGA    G    75_A      G    75_A     3.560     0    0.423   0.423     3.560   52.143   52.143
LGA    S    76_A      S    76_A     1.610     0    0.079   0.078     2.074   81.667   77.381
LGA    T    77_A      T    77_A     0.817     0    0.020   0.061     0.958   90.476   90.476
LGA    Y    78_A      Y    78_A     0.754     0    0.036   1.351    11.336   92.857   47.976
LGA    Y    79_A      Y    79_A     0.592     0    0.040   0.041     0.677   90.476   96.825
LGA    T    80_A      T    80_A     0.469     0    0.044   1.270     2.667   95.238   86.122
LGA    D    81_A      D    81_A     0.945     0    0.048   0.254     1.365   85.952   84.821
LGA    S    82_A      S    82_A     1.088     0    0.060   0.077     1.163   88.214   87.460
LGA    V    83_A      V    83_A     0.690     0    0.029   0.101     0.802   90.476   90.476
LGA    K    84_A      K    84_A     0.775     0    0.023   0.576     2.088   90.476   84.603
LGA    G    85_A      G    85_A     0.582     0    0.015   0.015     0.629   95.238   95.238
LGA    R    86_A      R    86_A     0.292     0    0.072   0.099     0.545  100.000   99.134
LGA    F    87_A      F    87_A     0.245     0    0.003   0.052     0.582  100.000   97.403
LGA    T    88_A      T    88_A     0.231     0    0.023   0.052     0.259  100.000  100.000
LGA    I    89_A      I    89_A     0.277     0    0.013   0.037     0.342  100.000  100.000
LGA    S    90_A      S    90_A     0.327     0    0.039   0.070     0.435  100.000  100.000
LGA    Q    91_A      Q    91_A     0.482     0    0.011   0.128     0.610  100.000   95.767
LGA    D    92_A      D    92_A     0.541     0    0.039   0.070     0.840   97.619   94.048
LGA    K    93_A      K    93_A     0.719     0    0.012   0.350     2.087   90.476   83.651
LGA    A    94_A      A    94_A     0.619     0    0.105   0.100     0.896   90.476   90.476
LGA    K    95_A      K    95_A     0.324     0    0.036   0.645     2.040  100.000   91.905
LGA    N    96_A      N    96_A     0.337     0    0.034   1.156     4.608  100.000   83.631
LGA    T    97_A      T    97_A     0.181     0    0.061   0.085     0.390  100.000  100.000
LGA    V    98_A      V    98_A     0.254     0    0.059   0.175     0.528  100.000   98.639
LGA    Y    99_A      Y    99_A     0.077     0    0.040   0.100     0.514  100.000   99.206
LGA    L   100_A      L   100_A     0.060     0    0.015   0.060     0.218  100.000  100.000
LGA    Q   101_A      Q   101_A     0.070     0    0.037   0.147     0.392  100.000  100.000
LGA    M   102_A      M   102_A     0.097     0    0.044   0.136     0.510  100.000   98.810
LGA    N   103_A      N   103_A     0.208     0    0.027   0.241     0.624  100.000   97.619
LGA    S   104_A      S   104_A     0.370     0    0.014   0.020     0.526  100.000   98.413
LGA    L   105_A      L   105_A     0.373     0    0.032   0.066     0.539   97.619   98.810
LGA    K   106_A      K   106_A     0.383     0    0.020   0.194     0.742   95.238   95.767
LGA    P   107_A      P   107_A     0.676     0    0.035   0.114     0.945   90.476   90.476
LGA    E   108_A      E   108_A     0.572     0    0.038   0.830     2.695   92.857   81.058
LGA    D   109_A      D   109_A     0.291     0    0.017   0.039     0.343  100.000  100.000
LGA    T   110_A      T   110_A     0.406     0    0.096   0.160     0.810   97.619   97.279
LGA    A   111_A      A   111_A     0.267     0    0.019   0.028     0.376  100.000  100.000
LGA    M   112_A      M   112_A     0.100     0    0.019   0.106     0.631  100.000   98.810
LGA    Y   113_A      Y   113_A     0.094     0    0.036   0.091     0.412  100.000  100.000
LGA    V   114_A      V   114_A     0.258     0    0.038   1.113     2.556  100.000   88.844
LGA    C   115_A      C   115_A     0.197     0    0.049   0.058     0.301  100.000  100.000
LGA    A   116_A      A   116_A     0.253     0    0.051   0.066     0.337  100.000  100.000
LGA    T   117_A      T   117_A     0.425     0    0.194   0.229     0.551   95.238   95.918
LGA    A   118_A      A   118_A     2.130     0    0.141   0.179     2.551   70.833   68.095
LGA    G   119_A      G   119_A     1.795     0    0.066   0.066     1.868   72.857   72.857
LGA    D   120_A      D   120_A     1.531     0    0.061   0.268     1.986   72.857   73.929
LGA    R   121_A      R   121_A     1.874     0    0.253   0.724     9.575   77.143   42.208
LGA    W   122_A      W   122_A     2.299     0    0.158   0.316     4.909   62.976   52.585
LGA    H   123_A      H   123_A     4.226     0    0.523   0.461     5.701   35.000   37.524
LGA    A   124_A      A   124_A     4.166     0    0.088   0.120     4.661   41.905   39.810
LGA    T   125_A      T   125_A     2.961     0    0.094   0.128     3.246   51.786   54.082
LGA    D   126_A      D   126_A     4.321     0    0.058   0.219     6.113   38.690   31.310
LGA    A   127_A      A   127_A     4.196     0    0.138   0.149     4.636   40.238   38.476
LGA    F   128_A      F   128_A     3.114     0    0.278   1.199     3.653   55.476   57.662
LGA    I   129_A      I   129_A     2.882     0    0.153   0.983     6.798   57.262   41.667
LGA    L   130_A      L   130_A     4.620     0    0.196   0.290     8.043   33.095   24.107
LGA    R   131_A      R   131_A     5.691     0    0.643   0.764    10.017   23.929   11.775
LGA    D   132_A      D   132_A     6.673     0    0.145   0.825    11.054   19.524   10.119
LGA    F   133_A      F   133_A     5.753     0    0.274   1.190    10.484   29.048   12.944
LGA    V   134_A      V   134_A     1.011     0    0.516   1.019     3.495   79.524   71.361
LGA    Y   135_A      Y   135_A     0.227     0    0.077   0.115     0.644   97.619   97.619
LGA    E   136_A      E   136_A     0.225     0    0.044   0.753     3.185  100.000   87.354
LGA    Y   137_A      Y   137_A     0.189     0    0.037   0.279     0.634  100.000   96.825
LGA    W   138_A      W   138_A     0.230     0    0.031   0.102     0.430  100.000  100.000
LGA    G   139_A      G   139_A     0.266     0    0.067   0.067     0.562   97.619   97.619
LGA    Q   140_A      Q   140_A     0.530     0    0.084   0.154     2.313   97.619   85.873
LGA    G   141_A      G   141_A     0.499     0    0.087   0.087     0.499  100.000  100.000
LGA    T   142_A      T   142_A     0.322     0    0.046   0.055     0.475  100.000  100.000
LGA    Q   143_A      Q   143_A     0.226     0    0.060   0.094     0.403  100.000  100.000
LGA    V   144_A      V   144_A     0.270     0    0.015   0.038     0.363  100.000  100.000
LGA    T   145_A      T   145_A     0.475     0    0.024   0.081     0.657  100.000   95.918
LGA    V   146_A      V   146_A     0.492     0    0.034   0.039     0.614  100.000   95.918
LGA    S   147_A      S   147_A     0.392     0    0.069   0.648     2.594   97.619   91.270
LGA    S   148_A      S   148_A     0.288     0    0.546   0.970     2.922   86.905   85.397
LGA    A   149_A      A   149_A     1.516     0    0.598   0.591     4.432   58.214   55.238

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      127     508    508  100.00     962    962  100.00               127
SUMMARY(RMSD_GDC):     1.544          1.500                  2.265           89.364   85.157

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  173  127    4.0    124    1.26    92.323    95.338     9.087

LGA_LOCAL      RMSD:   1.265  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.558  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:   1.544  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.068348 * X  +   0.991151 * Y  +  -0.113788 * Z  +  10.100004
  Y_new =   0.953701 * X  +   0.098393 * Y  +   0.284207 * Z  + -26.214294
  Z_new =   0.292889 * X  +  -0.089095 * Y  +  -0.951987 * Z  +  12.086738 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.642340 -0.297246 -3.048276   [DEG:   94.0991  -17.0310 -174.6534 ]
ZXZ: -2.760768  2.830457  1.866096   [DEG: -158.1804  162.1732  106.9194 ]
 
# END of job
