
#######################################################
#                                                     #
#                        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  141 ( 1102),  selected  124 , name one
# Molecule2: number of CA atoms  131 (  992),  selected  124 , 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:   124       7_A - 147_A       1.86     1.86
  LCS_AVERAGE:     94.66

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       7_A - 147_A       1.86     1.86
  LCS_AVERAGE:     94.66

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    37      64_A - 117_A       0.98     2.02
  LONGEST_CONTINUOUS_SEGMENT:    37      65_A - 118_A       0.93     2.03
  LCS_AVERAGE:     24.84

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
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     V     7_A     V     7_A     36  124  124     29   69   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y     8_A     Y     8_A     36  124  124     38   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     9_A     G     9_A     36  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    10_A     L    10_A     36  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    11_A     N    11_A     36  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    12_A     E    12_A     36  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    13_A     Y    13_A     36  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    14_A     A    14_A     36  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    15_A     A    15_A     36  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    16_A     L    16_A     36  124  124     36   74   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    17_A     D    17_A     36  124  124     23   67   94  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    18_A     G    18_A     36  124  124      3   12   35  105  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    19_A     I    19_A     36  124  124     29   70   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    20_A     N    20_A     36  124  124      3   51   94  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    21_A     L    21_A     36  124  124      5   56   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    22_A     E    22_A     36  124  124     12   48   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    23_A     V    23_A     36  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    24_A     A    24_A     36  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    25_A     A    25_A     36  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    26_A     K    26_A     36  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    27_A     L    27_A     36  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    28_A     D    28_A     36  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    29_A     T    29_A     36  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    30_A     G    30_A     36  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    31_A     A    31_A     36  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    32_A     K    32_A     36  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    33_A     T    33_A     36  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    34_A     A    34_A     36  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    35_A     S    35_A     36  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    36_A     L    36_A     36  124  124     34   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    37_A     S    37_A     36  124  124     25   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    38_A     A    38_A     36  124  124     29   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    39_A     R    39_A     36  124  124      7   38   94  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    40_A     D    40_A     36  124  124     13   70   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    41_A     I    41_A     36  124  124     10   70   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    42_A     K    42_A     36  124  124     13   66   95  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    43_A     R    43_A     36  124  124      9   52   89  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    44_A     F    44_A     36  124  124      9   26   82  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    45_A     K    45_A     36  124  124      9   41   82  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    46_A     R    46_A     36  124  124      8   40   82  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    47_A     N    47_A     36  124  124     12   50   86  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    48_A     G    48_A     36  124  124     13   50   86  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    49_A     E    49_A     36  124  124     13   44   84  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    50_A     S    50_A     36  124  124     13   53   89  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    51_A     W    51_A     36  124  124     12   56   95  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    52_A     V    52_A     36  124  124     27   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    53_A     R    53_A     36  124  124     27   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    54_A     F    54_A     36  124  124     22   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    55_A     Y    55_A     36  124  124     29   70   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    56_A     L    56_A     36  124  124     29   70   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    57_A     A    57_A     36  124  124      3    8   25   51  108  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    58_A     I    58_A     36  124  124      3   58   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    59_A     D    59_A      4  124  124      3    3    4    5    5   19   73   94  110  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    60_A     A    60_A      4  124  124      3    3    4    5   12   68   73   96  110  117  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    61_A     A    61_A      4  124  124      3    3    4    5   10   68   99  113  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     H    62_A     H    62_A      4  124  124      3   16   42   65   80  103  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    63_A     S    63_A      6  124  124      4    7   17   31   56  109  117  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     H    64_A     H    64_A     37  124  124      9   20   81   99  112  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    65_A     P    65_A     37  124  124      9   71   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    66_A     I    66_A     37  124  124     28   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    67_A     E    67_A     37  124  124      9   73   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    68_A     R    68_A     37  124  124      9   50   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    69_A     P    69_A     37  124  124      5   23   82  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    70_A     L    70_A     37  124  124     28   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    71_A     A    71_A     37  124  124     25   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    72_A     R    72_A     37  124  124     26   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    73_A     V    73_A     37  124  124     23   71   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    74_A     S    74_A     37  124  124     23   71   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    75_A     K    75_A     37  124  124      5   43   91  105  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    93_A     A    93_A     37  124  124     23   71   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    94_A     R    94_A     37  124  124     34   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    95_A     P    95_A     37  124  124     26   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    96_A     V    96_A     37  124  124     34   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    97_A     I    97_A     37  124  124     39   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    98_A     E    98_A     37  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    99_A     L    99_A     37  124  124     36   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   100_A     D   100_A     37  124  124     30   71   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I   101_A     I   101_A     37  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     C   102_A     C   102_A     37  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M   103_A     M   103_A     37  124  124     36   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   104_A     G   104_A     37  124  124     36   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   105_A     S   105_A     37  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A   106_A     A   106_A     37  124  124     17   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M   107_A     M   107_A     37  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R   108_A     R   108_A     37  124  124     30   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   109_A     S   109_A     37  124  124     30   71   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I   110_A     I   110_A     37  124  124     36   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E   111_A     E   111_A     37  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   112_A     V   112_A     37  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N   113_A     N   113_A     37  124  124     39   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L   114_A     L   114_A     37  124  124     34   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   115_A     T   115_A     37  124  124     34   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   116_A     D   116_A     37  124  124     15   70   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R   117_A     R   117_A     37  124  124      5   29   93  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   118_A     S   118_A     37  124  124     19   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A   119_A     A   119_A      3  124  124      3    3    3    8   24   91  116  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F   120_A     F   120_A      3  124  124      1    3    5   79  109  116  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   121_A     Q   121_A     27  124  124      6   19   69   94  108  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   122_A     Y   122_A     27  124  124     32   69   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P   123_A     P   123_A     27  124  124     36   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L   124_A     L   124_A     27  124  124     39   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L   125_A     L   125_A     27  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I   126_A     I   126_A     27  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   127_A     G   127_A     27  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   128_A     S   128_A     27  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E   129_A     E   129_A     27  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A   130_A     A   130_A     27  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L   131_A     L   131_A     27  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   132_A     K   132_A     27  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R   133_A     R   133_A     27  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F   134_A     F   134_A     27  124  124     36   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   135_A     D   135_A     27  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A   136_A     A   136_A     27  124  124     22   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L   137_A     L   137_A     27  124  124     24   74   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   138_A     V   138_A     27  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   139_A     D   139_A     27  124  124     35   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P   140_A     P   140_A     27  124  124     24   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   141_A     S   141_A     27  124  124     32   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L   142_A     L   142_A     27  124  124     37   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   143_A     K   143_A     27  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   144_A     Y   144_A     27  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A   145_A     A   145_A     27  124  124     41   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A   146_A     A   146_A     27  124  124     23   75   96  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   147_A     G   147_A     27  124  124      3   23   71  107  113  117  118  120  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_AVERAGE  LCS_A:  71.38  (  24.84   94.66   94.66 )

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     41     75     96    107    113    117    118    120    121    123    124    124    124    124    124    124    124    124    124    124 
GDT PERCENT_AT  31.30  57.25  73.28  81.68  86.26  89.31  90.08  91.60  92.37  93.89  94.66  94.66  94.66  94.66  94.66  94.66  94.66  94.66  94.66  94.66
GDT RMS_LOCAL    0.33   0.61   0.82   1.10   1.17   1.27   1.31   1.46   1.53   1.73   1.86   1.86   1.86   1.86   1.86   1.86   1.86   1.86   1.86   1.86
GDT RMS_ALL_AT   1.99   1.92   1.94   1.93   1.91   1.90   1.89   1.89   1.87   1.86   1.86   1.86   1.86   1.86   1.86   1.86   1.86   1.86   1.86   1.86

# Checking swapping
#   possible swapping detected:  F    44_A      F    44_A
#   possible swapping detected:  D    59_A      D    59_A
#   possible swapping detected:  E   111_A      E   111_A
#   possible swapping detected:  D   116_A      D   116_A
#   possible swapping detected:  F   120_A      F   120_A
#   possible swapping detected:  E   129_A      E   129_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    V     7_A      V     7_A     1.169     0    0.036   0.045     2.224   81.548   75.510
LGA    Y     8_A      Y     8_A     0.569     0    0.024   0.094     1.103   95.238   92.103
LGA    G     9_A      G     9_A     0.338     0    0.045   0.045     0.661   95.238   95.238
LGA    L    10_A      L    10_A     0.713     0    0.056   1.330     4.399   97.619   80.833
LGA    N    11_A      N    11_A     0.274     0    0.041   1.072     2.548  100.000   91.250
LGA    E    12_A      E    12_A     0.438     0    0.045   0.089     0.662   97.619   95.767
LGA    Y    13_A      Y    13_A     0.581     0    0.012   0.123     1.834   92.857   84.603
LGA    A    14_A      A    14_A     0.499     0    0.043   0.057     0.523   97.619   98.095
LGA    A    15_A      A    15_A     0.555     0    0.015   0.015     0.672   95.238   94.286
LGA    L    16_A      L    16_A     0.812     0    0.104   0.205     1.852   85.952   82.619
LGA    D    17_A      D    17_A     1.467     0    0.645   0.845     4.471   75.357   62.321
LGA    G    18_A      G    18_A     2.371     0    0.029   0.029     2.423   64.762   64.762
LGA    I    19_A      I    19_A     1.530     0    0.584   0.843     3.377   67.143   65.179
LGA    N    20_A      N    20_A     1.953     0    0.142   0.948     5.499   70.833   55.357
LGA    L    21_A      L    21_A     1.651     0    0.124   1.396     4.117   75.000   67.440
LGA    E    22_A      E    22_A     1.742     0    0.026   0.231     6.003   75.000   52.222
LGA    V    23_A      V    23_A     0.886     0    0.073   1.074     2.534   90.476   80.748
LGA    A    24_A      A    24_A     1.046     0    0.019   0.031     1.287   85.952   85.048
LGA    A    25_A      A    25_A     0.467     0    0.011   0.020     0.568   95.238   96.190
LGA    K    26_A      K    26_A     0.470     0    0.056   0.576     1.505   95.238   90.688
LGA    L    27_A      L    27_A     0.586     0    0.039   0.070     0.696   92.857   91.667
LGA    D    28_A      D    28_A     0.374     0    0.063   0.202     0.932  100.000   96.429
LGA    T    29_A      T    29_A     0.276     0    0.019   0.070     0.361  100.000  100.000
LGA    G    30_A      G    30_A     0.487     0    0.026   0.026     0.641   97.619   97.619
LGA    A    31_A      A    31_A     0.361     0    0.016   0.016     0.389  100.000  100.000
LGA    K    32_A      K    32_A     0.568     0    0.040   0.676     3.004   92.857   75.926
LGA    T    33_A      T    33_A     0.823     0    0.012   0.033     1.451   90.476   86.599
LGA    A    34_A      A    34_A     0.667     0    0.040   0.057     0.674   90.476   90.476
LGA    S    35_A      S    35_A     0.605     0    0.023   0.671     2.344   90.476   86.190
LGA    L    36_A      L    36_A     0.934     0    0.025   0.056     1.235   90.476   89.345
LGA    S    37_A      S    37_A     1.055     0    0.021   0.079     1.618   85.952   83.016
LGA    A    38_A      A    38_A     0.741     0    0.053   0.082     1.640   83.810   87.048
LGA    R    39_A      R    39_A     1.529     0    0.109   1.050     4.718   79.286   56.407
LGA    D    40_A      D    40_A     1.301     0    0.065   0.100     1.405   81.429   81.429
LGA    I    41_A      I    41_A     1.287     0    0.031   0.078     1.616   79.286   81.488
LGA    K    42_A      K    42_A     1.452     4    0.098   0.108     1.452   81.429   45.238
LGA    R    43_A      R    43_A     2.011     0    0.039   0.874     7.318   64.881   45.628
LGA    F    44_A      F    44_A     2.714     0    0.080   1.276     4.385   60.952   58.571
LGA    K    45_A      K    45_A     2.723     0    0.020   0.874     4.306   57.143   55.767
LGA    R    46_A      R    46_A     2.861     0    0.046   0.762     3.440   57.143   55.195
LGA    N    47_A      N    47_A     2.580     0    0.038   0.488     3.238   59.048   58.155
LGA    G    48_A      G    48_A     2.453     0    0.028   0.028     2.528   62.857   62.857
LGA    E    49_A      E    49_A     2.333     0    0.038   0.844     5.244   64.762   54.180
LGA    S    50_A      S    50_A     1.779     0    0.029   0.079     1.960   77.143   75.714
LGA    W    51_A      W    51_A     1.277     0    0.038   0.310     2.756   83.690   74.354
LGA    V    52_A      V    52_A     0.490     0    0.052   0.847     2.205   92.857   85.850
LGA    R    53_A      R    53_A     0.531     0    0.024   1.244     5.406   90.476   75.758
LGA    F    54_A      F    54_A     0.602     0    0.010   0.235     0.717   90.476   92.208
LGA    Y    55_A      Y    55_A     1.206     0    0.112   0.340     1.690   83.690   83.730
LGA    L    56_A      L    56_A     1.214     0    0.110   1.151     4.088   79.286   70.655
LGA    A    57_A      A    57_A     2.956     0    0.650   0.596     4.333   69.048   62.667
LGA    I    58_A      I    58_A     1.522     0    0.670   0.579     2.987   65.000   71.369
LGA    D    59_A      D    59_A     6.831     0    0.294   1.407    11.770   13.095    6.607
LGA    A    60_A      A    60_A     8.242     0    0.158   0.174    10.247    5.714    5.143
LGA    A    61_A      A    61_A     6.567     0    0.719   0.676     6.660   15.238   14.857
LGA    H    62_A      H    62_A     5.255     0    0.459   0.848     6.772   24.048   19.524
LGA    S    63_A      S    63_A     4.724     0    0.633   0.693     7.133   37.262   30.079
LGA    H    64_A      H    64_A     2.860     0    0.213   1.140     5.316   59.167   54.762
LGA    P    65_A      P    65_A     1.412     0    0.033   0.353     1.920   79.286   78.980
LGA    I    66_A      I    66_A     0.301     0    0.194   1.157     2.852   97.619   83.512
LGA    E    67_A      E    67_A     0.943     0    0.105   0.252     1.495   85.952   83.439
LGA    R    68_A      R    68_A     1.257     0    0.027   0.853     4.372   83.690   75.152
LGA    P    69_A      P    69_A     1.834     0    0.059   0.317     2.543   77.143   71.905
LGA    L    70_A      L    70_A     0.548     0    0.108   0.325     1.380   85.952   88.274
LGA    A    71_A      A    71_A     1.150     0    0.180   0.182     1.678   79.286   81.524
LGA    R    72_A      R    72_A     1.341     0    0.029   0.987     3.695   81.429   77.186
LGA    V    73_A      V    73_A     1.584     0    0.164   1.103     4.104   75.000   72.857
LGA    S    74_A      S    74_A     1.630     0    0.122   0.206     3.178   65.119   69.127
LGA    K    75_A      K    75_A     2.545     4    0.088   0.126     2.757   61.071   33.492
LGA    A    93_A      A    93_A     1.807     0    0.523   0.567     3.950   63.452   67.048
LGA    R    94_A      R    94_A     0.929     4    0.045   0.701     3.496   85.952   50.606
LGA    P    95_A      P    95_A     0.948     0    0.025   0.339     1.057   90.476   89.184
LGA    V    96_A      V    96_A     0.660     0    0.021   0.057     0.803   90.476   90.476
LGA    I    97_A      I    97_A     0.995     0    0.029   0.506     1.239   90.476   87.083
LGA    E    98_A      E    98_A     0.990     0    0.033   0.536     3.969   85.952   72.857
LGA    L    99_A      L    99_A     1.043     0    0.022   1.350     4.263   85.952   77.083
LGA    D   100_A      D   100_A     1.461     0    0.089   0.839     3.396   79.286   70.238
LGA    I   101_A      I   101_A     0.627     0    0.050   0.680     2.044   90.476   88.452
LGA    C   102_A      C   102_A     0.457     0    0.028   0.200     1.036   97.619   95.317
LGA    M   103_A      M   103_A     0.860     0    0.030   0.240     2.216   88.214   81.667
LGA    G   104_A      G   104_A     1.115     0    0.033   0.033     1.115   83.690   83.690
LGA    S   105_A      S   105_A     1.069     0    0.030   0.081     1.214   81.429   81.429
LGA    A   106_A      A   106_A     1.190     0    0.030   0.028     1.313   85.952   85.048
LGA    M   107_A      M   107_A     0.865     0    0.079   1.060     3.651   88.214   75.179
LGA    R   108_A      R   108_A     1.244     0    0.054   0.178     1.783   81.429   79.091
LGA    S   109_A      S   109_A     1.475     0    0.077   0.118     2.266   79.286   74.444
LGA    I   110_A      I   110_A     0.993     0    0.029   0.633     1.369   88.214   87.083
LGA    E   111_A      E   111_A     0.805     0    0.048   0.690     1.733   90.476   85.503
LGA    V   112_A      V   112_A     0.559     0    0.010   0.032     0.759   90.476   90.476
LGA    N   113_A      N   113_A     0.615     0    0.017   0.289     1.769   90.476   88.274
LGA    L   114_A      L   114_A     0.720     0    0.030   0.040     0.834   90.476   90.476
LGA    T   115_A      T   115_A     0.672     0    0.008   1.064     2.238   88.214   82.993
LGA    D   116_A      D   116_A     1.178     0    0.244   0.668     1.694   85.952   82.619
LGA    R   117_A      R   117_A     1.589     0    0.156   1.583    11.765   79.405   39.264
LGA    S   118_A      S   118_A     0.949     0    0.641   0.580     4.875   75.476   63.889
LGA    A   119_A      A   119_A     5.250     0    0.625   0.560     7.779   30.238   25.619
LGA    F   120_A      F   120_A     3.484     0    0.569   1.378     8.157   63.571   32.684
LGA    Q   121_A      Q   121_A     3.188     0    0.602   0.889     9.778   53.571   30.053
LGA    Y   122_A      Y   122_A     1.489     0    0.032   0.368     1.913   79.286   82.976
LGA    P   123_A      P   123_A     0.902     0    0.076   0.329     1.025   88.214   89.184
LGA    L   124_A      L   124_A     0.734     0    0.060   0.117     1.128   90.476   89.345
LGA    L   125_A      L   125_A     0.572     0    0.061   0.117     0.891   90.476   91.667
LGA    I   126_A      I   126_A     0.518     0    0.015   0.611     2.443   92.857   89.643
LGA    G   127_A      G   127_A     0.442     0    0.024   0.024     0.482  100.000  100.000
LGA    S   128_A      S   128_A     0.630     0    0.027   0.161     0.827   92.857   92.063
LGA    E   129_A      E   129_A     0.948     0    0.060   0.849     4.999   90.476   70.317
LGA    A   130_A      A   130_A     0.614     0    0.029   0.050     0.702   90.476   90.476
LGA    L   131_A      L   131_A     0.328     0    0.036   0.075     0.462  100.000  100.000
LGA    K   132_A      K   132_A     0.548     0    0.037   0.751     2.466   92.857   87.937
LGA    R   133_A      R   133_A     0.687     0    0.026   1.066     3.336   90.476   81.558
LGA    F   134_A      F   134_A     0.539     0    0.070   0.288     1.270   95.238   90.563
LGA    D   135_A      D   135_A     0.676     0    0.040   0.228     1.246   90.595   88.274
LGA    A   136_A      A   136_A     0.865     0    0.068   0.090     0.978   90.476   90.476
LGA    L   137_A      L   137_A     1.175     0    0.136   0.172     2.450   83.690   75.238
LGA    V   138_A      V   138_A     0.251     0    0.039   0.039     0.610   97.619   97.279
LGA    D   139_A      D   139_A     0.524     0    0.035   0.159     1.121   97.619   91.786
LGA    P   140_A      P   140_A     0.672     0    0.037   0.091     1.208   90.476   87.891
LGA    S   141_A      S   141_A     0.342     0    0.108   0.135     0.618   97.619   98.413
LGA    L   142_A      L   142_A     0.191     0    0.020   0.120     0.967  100.000   96.429
LGA    K   143_A      K   143_A     0.708     0    0.094   0.688     1.995   92.857   89.577
LGA    Y   144_A      Y   144_A     0.956     0    0.024   0.212     1.609   85.952   81.508
LGA    A   145_A      A   145_A     1.162     0    0.030   0.031     1.384   81.429   81.429
LGA    A   146_A      A   146_A     0.975     0    0.089   0.106     1.582   83.810   83.333
LGA    G   147_A      G   147_A     2.285     0    0.084   0.084     3.457   61.548   61.548

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00     948    948  100.00               131
SUMMARY(RMSD_GDC):     1.856          1.865                  2.452           76.925   71.870

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  131    4.0    120    1.46    81.298    87.753     7.698

LGA_LOCAL      RMSD:   1.459  Number of atoms:  120  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.885  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   1.856  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.229299 * X  +   0.794881 * Y  +   0.561770 * Z  + -22.080500
  Y_new =  -0.618738 * X  +  -0.564566 * Y  +   0.546286 * Z  +  10.624584
  Z_new =   0.751389 * X  +  -0.222325 * Y  +   0.621277 * Z  +  -7.576937 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.925696 -0.850165 -0.343653   [DEG: -110.3343  -48.7109  -19.6898 ]
ZXZ:  2.342222  0.900425  1.858474   [DEG:  134.1994   51.5905  106.4827 ]
 
# END of job
