
#######################################################
#                                                     #
#                        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  113 (  929),  selected  113 , name one
# Molecule2: number of CA atoms  123 (  980),  selected  113 , 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:   113      20_A - 132_A       1.27     1.27
  LCS_AVERAGE:     91.87

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   113      20_A - 132_A       1.27     1.27
  LCS_AVERAGE:     91.87

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79      21_A - 99_A        0.97     1.31
  LCS_AVERAGE:     52.42

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  113
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     H    20_A     H    20_A     38  113  113      3   20   68   95  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     M    21_A     M    21_A     79  113  113     10   68  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    22_A     Q    22_A     79  113  113     41   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    23_A     E    23_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    24_A     E    24_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    25_A     E    25_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    26_A     F    26_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H    27_A     H    27_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    28_A     K    28_A     79  113  113     40   79  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    29_A     L    29_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    30_A     A    30_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    31_A     N    31_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    32_A     F    32_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    33_A     T    33_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    34_A     I    34_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    35_A     N    35_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H    36_A     H    36_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    37_A     L    37_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    38_A     L    38_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    39_A     E    39_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    40_A     K    40_A     79  113  113     16   78  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    41_A     I    41_A     79  113  113     15   76  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    42_A     E    42_A     79  113  113     22   79  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    43_A     D    43_A     79  113  113     26   79  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    44_A     Y    44_A     79  113  113     10   68  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    45_A     G    45_A     79  113  113      9   22   98  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    46_A     D    46_A     79  113  113      7   33  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    47_A     N    47_A     79  113  113      9   66  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    48_A     V    48_A     79  113  113      3   39  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    49_A     Q    49_A     79  113  113     20   76  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    50_A     I    50_A     79  113  113     23   79  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    51_A     D    51_A     79  113  113      5   22   98  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    52_A     G    52_A     79  113  113      5   50   98  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    53_A     F    53_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    54_A     D    54_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    55_A     I    55_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    56_A     D    56_A     79  113  113     29   79  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    57_A     Y    57_A     79  113  113     35   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    58_A     G    58_A     79  113  113      6   45   89  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    59_A     N    59_A     79  113  113      5   17   59   94  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    60_A     E    60_A     79  113  113      5   36   77  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    61_A     V    61_A     79  113  113     34   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    62_A     L    62_A     79  113  113     40   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    63_A     T    63_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    64_A     L    64_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    65_A     K    65_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    66_A     L    66_A     79  113  113     36   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    67_A     G    67_A     79  113  113     34   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    68_A     S    68_A     79  113  113     12   77   98  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    69_A     L    69_A     79  113  113     43   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    70_A     G    70_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    71_A     T    71_A     79  113  113     43   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    72_A     Y    72_A     79  113  113     44   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    73_A     V    73_A     79  113  113     43   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    74_A     L    74_A     79  113  113     22   79  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    75_A     N    75_A     79  113  113     31   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    76_A     K    76_A     79  113  113     31   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     79  113  113     31   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     79  113  113     36   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    79_A     P    79_A     79  113  113     38   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    80_A     N    80_A     79  113  113     44   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    81_A     R    81_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    82_A     Q    82_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     W    84_A     W    84_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     M    85_A     M    85_A     79  113  113     38   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    86_A     S    86_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    87_A     S    87_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    88_A     P    88_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    89_A     V    89_A     79  113  113     42   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    90_A     S    90_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    91_A     G    91_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    92_A     P    92_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    93_A     S    93_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    94_A     R    94_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    95_A     F    95_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    96_A     D    96_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     W    97_A     W    97_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    98_A     D    98_A     79  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    99_A     R    99_A     79  113  113     34   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D   100_A     D   100_A     42  113  113      3    4   24   64  101  108  110  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A   101_A     A   101_A      4  113  113      4    4    5    8   10   70   86   99  109  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N   102_A     N   102_A     31  113  113     26   78  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A   103_A     A   103_A     31  113  113     26   79  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     W   104_A     W   104_A     31  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I   105_A     I   105_A     31  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   106_A     Y   106_A     31  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   107_A     R   107_A     31  113  113     39   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   108_A     R   108_A     31  113  113     19   78  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   109_A     T   109_A     31  113  113     19   78  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   110_A     E   110_A     31  113  113     27   79  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A   111_A     A   111_A     31  113  113     38   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K   112_A     K   112_A     31  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L   113_A     L   113_A     31  113  113     36   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   114_A     H   114_A     31  113  113     40   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K   115_A     K   115_A     31  113  113     25   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L   116_A     L   116_A     31  113  113     36   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L   117_A     L   117_A     31  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     31  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   119_A     E   119_A     31  113  113     44   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   120_A     E   120_A     31  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L   121_A     L   121_A     31  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   122_A     E   122_A     31  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N   123_A     N   123_A     31  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L   124_A     L   124_A     31  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   125_A     C   125_A     31  113  113     45   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   126_A     G   126_A     31  113  113     42   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   127_A     E   127_A     31  113  113     34   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P   128_A     P   128_A     31  113  113      5   62   95  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I   129_A     I   129_A     31  113  113     17   58   93  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q   130_A     Q   130_A     31  113  113      3    5   78  106  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L   131_A     L   131_A     31  113  113     25   76  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S   132_A     S   132_A     31  113  113     29   80  100  107  111  111  111  112  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  78.72  (  52.42   91.87   91.87 )

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     45     80    100    107    111    111    111    112    112    113    113    113    113    113    113    113    113    113    113    113 
GDT PERCENT_AT  36.59  65.04  81.30  86.99  90.24  90.24  90.24  91.06  91.06  91.87  91.87  91.87  91.87  91.87  91.87  91.87  91.87  91.87  91.87  91.87
GDT RMS_LOCAL    0.34   0.57   0.77   0.90   1.04   1.04   1.04   1.12   1.12   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27
GDT RMS_ALL_AT   1.31   1.29   1.28   1.27   1.28   1.28   1.28   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27

# Checking swapping
#   possible swapping detected:  F    32_A      F    32_A
#   possible swapping detected:  F    53_A      F    53_A
#   possible swapping detected:  Y    57_A      Y    57_A
#   possible swapping detected:  F    95_A      F    95_A
#   possible swapping detected:  D    98_A      D    98_A
#   possible swapping detected:  D   100_A      D   100_A
#   possible swapping detected:  E   127_A      E   127_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    20_A      H    20_A     3.315     5    0.230   0.239     4.909   54.167   24.810
LGA    M    21_A      M    21_A     1.259     0    0.036   1.081     3.074   81.548   74.405
LGA    Q    22_A      Q    22_A     0.307     0    0.107   1.296     5.276   95.238   75.556
LGA    E    23_A      E    23_A     0.460     0    0.049   0.250     1.013   95.238   91.587
LGA    E    24_A      E    24_A     0.931     4    0.034   0.039     1.190   90.476   49.259
LGA    E    25_A      E    25_A     0.679     0    0.072   0.758     4.306   90.476   75.185
LGA    F    26_A      F    26_A     0.250     0    0.058   0.160     1.354  100.000   93.203
LGA    H    27_A      H    27_A     0.976     0    0.030   1.105     4.432   85.952   73.238
LGA    K    28_A      K    28_A     1.189     0    0.061   0.971     4.378   85.952   74.074
LGA    L    29_A      L    29_A     0.711     0    0.029   0.068     1.249   92.857   90.536
LGA    A    30_A      A    30_A     0.399     0    0.029   0.027     0.484  100.000  100.000
LGA    N    31_A      N    31_A     0.553     0    0.037   1.316     3.949   90.476   79.167
LGA    F    32_A      F    32_A     0.501     0    0.030   1.134     6.298   95.238   61.472
LGA    T    33_A      T    33_A     0.477     0    0.045   0.057     0.604  100.000   95.918
LGA    I    34_A      I    34_A     0.381     0    0.042   0.073     0.450  100.000  100.000
LGA    N    35_A      N    35_A     0.533     0    0.024   0.880     4.074   92.857   75.774
LGA    H    36_A      H    36_A     0.474     0    0.018   1.214     5.967   97.619   66.476
LGA    L    37_A      L    37_A     0.500     0    0.041   0.058     0.620   95.238   96.429
LGA    L    38_A      L    38_A     0.733     0    0.036   1.428     3.962   90.476   73.631
LGA    E    39_A      E    39_A     0.694     0    0.038   0.633     3.442   90.476   79.259
LGA    K    40_A      K    40_A     1.094     0    0.089   0.797     4.932   83.690   68.042
LGA    I    41_A      I    41_A     1.297     0    0.084   0.155     2.020   81.429   76.131
LGA    E    42_A      E    42_A     1.182     0    0.025   0.164     1.455   81.429   81.429
LGA    D    43_A      D    43_A     1.078     0    0.092   0.125     1.658   81.429   80.357
LGA    Y    44_A      Y    44_A     1.615     0    0.119   0.162     3.689   75.000   63.333
LGA    G    45_A      G    45_A     2.085     0    0.053   0.053     2.085   70.833   70.833
LGA    D    46_A      D    46_A     1.458     0    0.143   1.232     3.427   81.548   71.369
LGA    N    47_A      N    47_A     1.407     0    0.681   0.856     5.372   69.762   57.083
LGA    V    48_A      V    48_A     1.510     0    0.039   0.200     2.764   79.286   73.129
LGA    Q    49_A      Q    49_A     1.332     0    0.024   0.796     2.007   79.286   75.767
LGA    I    50_A      I    50_A     0.862     0    0.444   0.428     2.019   81.786   86.131
LGA    D    51_A      D    51_A     1.915     0    0.195   0.215     2.794   66.905   66.845
LGA    G    52_A      G    52_A     1.863     0    0.054   0.054     1.863   77.143   77.143
LGA    F    53_A      F    53_A     0.122     0    0.043   0.048     1.498   95.238   89.784
LGA    D    54_A      D    54_A     0.126     0    0.109   0.730     1.774   97.619   93.095
LGA    I    55_A      I    55_A     0.524     0    0.079   0.099     1.395   90.476   87.083
LGA    D    56_A      D    56_A     0.842     0    0.104   0.740     2.815   95.238   83.155
LGA    Y    57_A      Y    57_A     0.829     0    0.087   1.251    10.051   86.190   49.008
LGA    G    58_A      G    58_A     2.272     0    0.086   0.086     2.507   64.881   64.881
LGA    N    59_A      N    59_A     3.192     0    0.018   1.004     5.559   55.357   49.167
LGA    E    60_A      E    60_A     2.430     0    0.058   0.834     6.039   66.905   51.164
LGA    V    61_A      V    61_A     0.995     0    0.077   1.153     3.040   86.071   77.211
LGA    L    62_A      L    62_A     0.612     0    0.078   0.085     0.696   92.857   91.667
LGA    T    63_A      T    63_A     0.404     0    0.027   0.144     1.174  100.000   94.626
LGA    L    64_A      L    64_A     0.221     0    0.034   1.023     2.117  100.000   88.869
LGA    K    65_A      K    65_A     0.243     0    0.022   1.030     2.869  100.000   85.291
LGA    L    66_A      L    66_A     0.794     0    0.298   0.251     2.540   79.881   85.238
LGA    G    67_A      G    67_A     1.238     0    0.194   0.194     3.057   73.690   73.690
LGA    S    68_A      S    68_A     1.621     0    0.281   0.641     5.176   81.548   68.254
LGA    L    69_A      L    69_A     0.756     0    0.137   0.152     2.646   88.214   79.643
LGA    G    70_A      G    70_A     0.485     0    0.036   0.036     0.730   92.857   92.857
LGA    T    71_A      T    71_A     0.602     0    0.040   0.049     0.699   90.476   90.476
LGA    Y    72_A      Y    72_A     0.489     0    0.062   0.138     0.750   92.857   93.651
LGA    V    73_A      V    73_A     0.513     0    0.042   0.037     0.749   92.857   91.837
LGA    L    74_A      L    74_A     1.041     0    0.061   0.128     1.591   83.690   82.619
LGA    N    75_A      N    75_A     0.991     0    0.057   0.174     1.139   90.476   88.214
LGA    K    76_A      K    76_A     0.868     0    0.062   0.970     1.774   88.214   84.497
LGA    Q    77_A      Q    77_A     0.870     0    0.027   0.524     1.371   90.476   88.519
LGA    T    78_A      T    78_A     0.578     0    0.027   0.049     0.701   95.238   94.558
LGA    P    79_A      P    79_A     0.692     0    0.041   0.046     0.965   90.476   90.476
LGA    N    80_A      N    80_A     0.543     0    0.033   0.419     1.206   95.238   90.595
LGA    R    81_A      R    81_A     0.324     0    0.022   1.488     6.355  100.000   69.394
LGA    Q    82_A      Q    82_A     0.234     0    0.052   0.108     0.696  100.000   97.884
LGA    I    83_A      I    83_A     0.295     0    0.048   0.645     2.114  100.000   95.595
LGA    W    84_A      W    84_A     0.336     0    0.039   0.106     0.657   97.619   97.959
LGA    M    85_A      M    85_A     0.583     0    0.035   0.225     1.629   97.619   89.583
LGA    S    86_A      S    86_A     0.286     0    0.064   0.075     0.502  100.000   98.413
LGA    S    87_A      S    87_A     0.478     0    0.035   0.060     0.515  100.000   98.413
LGA    P    88_A      P    88_A     0.201     0    0.025   0.023     0.580   97.619   98.639
LGA    V    89_A      V    89_A     0.550     0    0.037   0.060     0.938   92.857   91.837
LGA    S    90_A      S    90_A     0.448     0    0.017   0.051     0.519  100.000   98.413
LGA    G    91_A      G    91_A     0.341     0    0.072   0.072     0.341  100.000  100.000
LGA    P    92_A      P    92_A     0.283     0    0.035   0.035     0.702   97.619   95.918
LGA    S    93_A      S    93_A     0.214     0    0.057   0.615     2.570  100.000   92.857
LGA    R    94_A      R    94_A     0.621     0    0.022   0.995     4.290   90.476   78.442
LGA    F    95_A      F    95_A     0.568     0    0.018   0.047     0.576   95.238   98.268
LGA    D    96_A      D    96_A     0.681     0    0.024   0.131     0.825   90.476   90.476
LGA    W    97_A      W    97_A     0.817     0    0.025   1.215     6.875   90.476   54.150
LGA    D    98_A      D    98_A     0.555     0    0.593   1.055     2.383   84.048   82.917
LGA    R    99_A      R    99_A     1.227     0    0.622   1.066     4.441   79.524   65.108
LGA    D   100_A      D   100_A     4.347     0    0.429   1.360     8.050   33.333   21.548
LGA    A   101_A      A   101_A     6.524     0    0.314   0.297     8.374   19.762   16.762
LGA    N   102_A      N   102_A     1.480     0    0.333   1.132     2.798   71.071   72.262
LGA    A   103_A      A   103_A     1.320     0    0.079   0.107     1.450   83.690   83.238
LGA    W   104_A      W   104_A     0.590     0    0.058   1.162     5.810   92.857   71.463
LGA    I   105_A      I   105_A     0.278     0    0.032   0.087     0.711  100.000   96.429
LGA    Y   106_A      Y   106_A     0.201     0    0.054   0.461     1.930   97.619   90.754
LGA    R   107_A      R   107_A     0.600     0    0.069   1.109     4.912   90.595   76.190
LGA    R   108_A      R   108_A     1.234     0    0.053   0.998     5.606   83.690   60.303
LGA    T   109_A      T   109_A     1.342     0    0.086   0.094     1.735   81.429   80.204
LGA    E   110_A      E   110_A     0.961     0    0.080   0.744     2.879   88.214   79.947
LGA    A   111_A      A   111_A     0.659     0    0.030   0.029     1.001   95.238   92.476
LGA    K   112_A      K   112_A     0.670     0    0.061   0.096     2.137   92.857   82.751
LGA    L   113_A      L   113_A     0.864     0    0.045   0.119     1.564   90.476   84.881
LGA    H   114_A      H   114_A     0.655     0    0.058   1.419     6.022   90.476   62.571
LGA    K   115_A      K   115_A     1.128     0    0.070   0.786     6.073   88.214   61.958
LGA    L   116_A      L   116_A     0.827     0    0.030   1.388     3.060   92.857   80.238
LGA    L   117_A      L   117_A     0.369     0    0.043   0.145     0.566   95.238   97.619
LGA    E   118_A      E   118_A     0.490     0    0.031   1.242     5.942   92.857   70.899
LGA    E   119_A      E   119_A     0.555     0    0.038   1.152     3.717   95.238   83.386
LGA    E   120_A      E   120_A     0.293     0    0.036   0.221     0.789  100.000   98.942
LGA    L   121_A      L   121_A     0.327     0    0.022   0.049     0.588   97.619   97.619
LGA    E   122_A      E   122_A     0.633     0    0.036   0.193     1.692   90.476   86.508
LGA    N   123_A      N   123_A     0.323     0    0.062   0.107     0.827   97.619   98.810
LGA    L   124_A      L   124_A     0.280     0    0.031   0.153     0.895   97.619   95.238
LGA    C   125_A      C   125_A     0.645     0    0.030   0.121     1.142   95.238   92.143
LGA    G   126_A      G   126_A     0.567     0    0.234   0.234     1.147   90.595   90.595
LGA    E   127_A      E   127_A     1.161     0    0.045   1.040     3.194   79.286   69.788
LGA    P   128_A      P   128_A     1.759     0    0.168   0.335     2.362   75.000   72.925
LGA    I   129_A      I   129_A     1.880     0    0.031   1.122     4.314   68.810   64.881
LGA    Q   130_A      Q   130_A     2.374     0    0.127   0.818     5.098   64.762   54.762
LGA    L   131_A      L   131_A     1.366     0    0.098   0.131     1.705   79.286   79.286
LGA    S   132_A      S   132_A     0.979     0    0.260   0.238     1.087   88.214   87.460

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      113     452    452  100.00     920    920  100.00               123
SUMMARY(RMSD_GDC):     1.268          1.294                  2.043           80.526   73.551

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  113  123    4.0    112    1.12    83.740    88.240     9.189

LGA_LOCAL      RMSD:   1.119  Number of atoms:  112  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.272  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   1.268  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.406313 * X  +   0.538211 * Y  +   0.738403 * Z  + -16.137066
  Y_new =   0.036744 * X  +   0.817086 * Y  +  -0.575344 * Z  + -20.613119
  Z_new =  -0.912995 * X  +  -0.206638 * Y  +  -0.351769 * Z  +   9.098023 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.051405  1.150566 -2.610471   [DEG:  174.8327   65.9226 -149.5689 ]
ZXZ:  0.908884  1.930256 -1.793376   [DEG:   52.0752  110.5955 -102.7529 ]
 
# END of job
