
#######################################################
#                                                     #
#                        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  140 ( 1098),  selected  123 , name one
# Molecule2: number of CA atoms  131 (  992),  selected  123 , 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:   123       7_A - 146_A       2.21     2.21
  LCS_AVERAGE:     93.89

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    55       7_A - 61_A        1.98     2.26
  LONGEST_CONTINUOUS_SEGMENT:    55      75_A - 146_A       1.86     2.25
  LCS_AVERAGE:     38.47

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    52      95_A - 146_A       1.00     2.36
  LCS_AVERAGE:     29.53

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  123
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     37   55  123     32   79   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     Y     8_A     Y     8_A     37   55  123     40   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     G     9_A     G     9_A     37   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     L    10_A     L    10_A     37   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     N    11_A     N    11_A     37   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     E    12_A     E    12_A     37   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     Y    13_A     Y    13_A     37   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     A    14_A     A    14_A     37   55  123     42   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     A    15_A     A    15_A     37   55  123     44   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     L    16_A     L    16_A     37   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     D    17_A     D    17_A     37   55  123     28   78   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     G    18_A     G    18_A     37   55  123      3   14   74   99  105  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     I    19_A     I    19_A     37   55  123      3   53   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     N    20_A     N    20_A     37   55  123      3   14   72  102  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     L    21_A     L    21_A     37   55  123      4   42   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     E    22_A     E    22_A     37   55  123     15   57   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     V    23_A     V    23_A     37   55  123     38   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     A    24_A     A    24_A     37   55  123     38   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     A    25_A     A    25_A     37   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     K    26_A     K    26_A     37   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     L    27_A     L    27_A     37   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     D    28_A     D    28_A     37   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     T    29_A     T    29_A     37   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     G    30_A     G    30_A     37   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     A    31_A     A    31_A     37   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     K    32_A     K    32_A     37   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     T    33_A     T    33_A     37   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     A    34_A     A    34_A     37   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     S    35_A     S    35_A     37   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     L    36_A     L    36_A     37   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     S    37_A     S    37_A     37   55  123     12   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     A    38_A     A    38_A     37   55  123     13   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     R    39_A     R    39_A     37   55  123     14   56   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     D    40_A     D    40_A     37   55  123     14   74   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     I    41_A     I    41_A     37   55  123     22   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     K    42_A     K    42_A     37   55  123     22   74   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     R    43_A     R    43_A     37   55  123      4   53   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     F    44_A     F    44_A     34   55  123      7   53   84  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     K    45_A     K    45_A     34   55  123     14   44   84  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     R    46_A     R    46_A     34   55  123     14   36   80  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     N    47_A     N    47_A     34   55  123     14   31   74  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     G    48_A     G    48_A     34   55  123     14   40   85  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     E    49_A     E    49_A     34   55  123     14   46   91  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     S    50_A     S    50_A     34   55  123     14   57   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     W    51_A     W    51_A     34   55  123     14   63   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     V    52_A     V    52_A     34   55  123     17   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     R    53_A     R    53_A     34   55  123     35   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     F    54_A     F    54_A     34   55  123     34   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     Y    55_A     Y    55_A     34   55  123     12   78   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     L    56_A     L    56_A     34   55  123     13   56   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     A    57_A     A    57_A     33   55  123      5    8   23   52  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     I    58_A     I    58_A     31   55  123      3   72   91  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     D    59_A     D    59_A      4   55  123      3    4    4    5    6   32   42   97  115  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     A    60_A     A    60_A      4   55  123      3    4    4    5    9   12   44   59   84  119  119  120  121  121  122  123  123  123  123  123 
LCS_GDT     A    61_A     A    61_A      4   55  123      3    4    4   17   33   97  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     H    62_A     H    62_A      4   12  123      3    4   24   33   63   98  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     S    63_A     S    63_A     10   12  123      4   11   27   45   74  106  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     H    64_A     H    64_A     10   12  123      8   22   45   96  108  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     P    65_A     P    65_A     10   12  123      9   54   92  105  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     I    66_A     I    66_A     10   12  123     34   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     E    67_A     E    67_A     10   12  123     10   27   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     R    68_A     R    68_A     10   12  123     14   27   89  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     P    69_A     P    69_A     10   12  123     10   26   52  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     L    70_A     L    70_A     10   12  123     22   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     A    71_A     A    71_A     10   12  123     12   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     R    72_A     R    72_A     10   12  123     26   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     V    73_A     V    73_A      3   12  123      3    5   14   30   41   71  111  116  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     S    74_A     S    74_A      3    5  123      3    3    7    8   12   31   44   50   65   91  100  116  120  121  122  123  123  123  123  123 
LCS_GDT     K    75_A     K    75_A      3   55  123      3    3    7    8   12   31   41   50   65   72   84   95  115  121  121  123  123  123  123  123 
LCS_GDT     A    93_A     A    93_A     27   55  123      5   23   79   99  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     R    94_A     R    94_A     27   55  123      3   27   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     P    95_A     P    95_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     V    96_A     V    96_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     I    97_A     I    97_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     E    98_A     E    98_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     L    99_A     L    99_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     D   100_A     D   100_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     I   101_A     I   101_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     C   102_A     C   102_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     M   103_A     M   103_A     52   55  123     37   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     G   104_A     G   104_A     52   55  123     39   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     S   105_A     S   105_A     52   55  123     37   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     A   106_A     A   106_A     52   55  123     39   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     M   107_A     M   107_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     R   108_A     R   108_A     52   55  123     45   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     S   109_A     S   109_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     I   110_A     I   110_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     E   111_A     E   111_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     V   112_A     V   112_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     N   113_A     N   113_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     L   114_A     L   114_A     52   55  123     36   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     T   115_A     T   115_A     52   55  123     12   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     D   116_A     D   116_A     52   55  123     12   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     R   117_A     R   117_A     52   55  123     11   56   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     S   118_A     S   118_A     52   55  123     20   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     A   119_A     A   119_A     52   55  123      3   16   38   93  108  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     F   120_A     F   120_A     52   55  123      3   14   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     Q   121_A     Q   121_A     52   55  123      3    3    4   24   77  102  112  116  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     Y   122_A     Y   122_A     52   55  123      9   72   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     P   123_A     P   123_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     L   124_A     L   124_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     L   125_A     L   125_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     I   126_A     I   126_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     G   127_A     G   127_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     S   128_A     S   128_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     E   129_A     E   129_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     A   130_A     A   130_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     L   131_A     L   131_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     K   132_A     K   132_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     R   133_A     R   133_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     F   134_A     F   134_A     52   55  123     44   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     D   135_A     D   135_A     52   55  123     43   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     A   136_A     A   136_A     52   55  123     40   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     L   137_A     L   137_A     52   55  123     33   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     V   138_A     V   138_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     D   139_A     D   139_A     52   55  123     33   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     P   140_A     P   140_A     52   55  123     33   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     S   141_A     S   141_A     52   55  123     33   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     L   142_A     L   142_A     52   55  123     39   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     K   143_A     K   143_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     Y   144_A     Y   144_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     A   145_A     A   145_A     52   55  123     47   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_GDT     A   146_A     A   146_A     52   55  123      6   80   92  106  110  113  114  117  118  119  120  120  121  121  122  123  123  123  123  123 
LCS_AVERAGE  LCS_A:  53.96  (  29.53   38.47   93.89 )

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     47     80     92    106    110    113    114    117    118    119    120    120    121    121    122    123    123    123    123    123 
GDT PERCENT_AT  35.88  61.07  70.23  80.92  83.97  86.26  87.02  89.31  90.08  90.84  91.60  91.60  92.37  92.37  93.13  93.89  93.89  93.89  93.89  93.89
GDT RMS_LOCAL    0.34   0.60   0.76   1.06   1.13   1.22   1.26   1.47   1.52   1.59   1.70   1.70   1.83   1.83   2.00   2.21   2.21   2.21   2.21   2.21
GDT RMS_ALL_AT   2.40   2.33   2.35   2.26   2.26   2.26   2.25   2.23   2.24   2.23   2.23   2.23   2.23   2.23   2.22   2.21   2.21   2.21   2.21   2.21

# Checking swapping
#   possible swapping detected:  E    22_A      E    22_A
#   possible swapping detected:  F    44_A      F    44_A
#   possible swapping detected:  E    49_A      E    49_A
#   possible swapping detected:  D    59_A      D    59_A
#   possible swapping detected:  E    98_A      E    98_A
#   possible swapping detected:  Y   122_A      Y   122_A
#   possible swapping detected:  E   129_A      E   129_A
#   possible swapping detected:  Y   144_A      Y   144_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    V     7_A      V     7_A     0.823     0    0.120   1.155     2.951   88.214   79.388
LGA    Y     8_A      Y     8_A     0.315     0    0.030   0.163     0.531   97.619   99.206
LGA    G     9_A      G     9_A     0.474     0    0.088   0.088     0.757   95.238   95.238
LGA    L    10_A      L    10_A     0.601     0    0.043   0.965     4.263   92.857   78.571
LGA    N    11_A      N    11_A     0.383     0    0.026   1.360     4.637  100.000   77.798
LGA    E    12_A      E    12_A     0.375     0    0.041   0.161     0.819   97.619   95.767
LGA    Y    13_A      Y    13_A     0.548     0    0.074   0.299     3.792   97.619   74.246
LGA    A    14_A      A    14_A     0.507     0    0.070   0.069     0.508   95.238   96.190
LGA    A    15_A      A    15_A     0.306     0    0.019   0.035     0.430  100.000  100.000
LGA    L    16_A      L    16_A     0.449     0    0.070   0.138     1.237   95.238   91.726
LGA    D    17_A      D    17_A     0.929     0    0.632   0.888     3.878   84.048   71.012
LGA    G    18_A      G    18_A     2.777     0    0.098   0.098     2.777   62.857   62.857
LGA    I    19_A      I    19_A     1.905     0    0.647   1.725     3.963   63.095   62.321
LGA    N    20_A      N    20_A     2.643     0    0.155   1.072     5.084   60.952   54.286
LGA    L    21_A      L    21_A     2.063     0    0.069   0.981     4.049   68.810   62.440
LGA    E    22_A      E    22_A     1.937     0    0.024   0.812     3.494   75.000   66.878
LGA    V    23_A      V    23_A     0.913     0    0.119   1.051     3.065   90.476   80.884
LGA    A    24_A      A    24_A     1.041     0    0.085   0.091     1.264   83.690   83.238
LGA    A    25_A      A    25_A     0.511     0    0.065   0.070     0.586   92.857   92.381
LGA    K    26_A      K    26_A     0.640     0    0.082   0.631     3.097   92.857   81.217
LGA    L    27_A      L    27_A     0.412     0    0.050   0.911     2.408  100.000   92.202
LGA    D    28_A      D    28_A     0.372     0    0.037   0.048     0.392  100.000  100.000
LGA    T    29_A      T    29_A     0.405     0    0.079   1.092     2.973   97.619   87.279
LGA    G    30_A      G    30_A     0.548     0    0.126   0.126     0.548   97.619   97.619
LGA    A    31_A      A    31_A     0.165     0    0.026   0.034     0.515   97.619   98.095
LGA    K    32_A      K    32_A     0.511     0    0.034   0.881     5.677   92.857   70.423
LGA    T    33_A      T    33_A     0.643     0    0.018   1.174     3.520   90.476   80.068
LGA    A    34_A      A    34_A     0.621     0    0.053   0.054     0.735   90.476   90.476
LGA    S    35_A      S    35_A     0.544     0    0.068   0.093     0.630   90.476   92.063
LGA    L    36_A      L    36_A     0.900     0    0.053   0.057     1.218   90.476   87.083
LGA    S    37_A      S    37_A     0.914     0    0.065   0.616     1.934   90.476   86.032
LGA    A    38_A      A    38_A     0.868     0    0.043   0.078     1.472   85.952   88.762
LGA    R    39_A      R    39_A     1.640     0    0.071   0.759     5.944   79.286   52.121
LGA    D    40_A      D    40_A     1.479     0    0.033   0.185     2.396   79.286   73.036
LGA    I    41_A      I    41_A     1.061     0    0.036   0.092     1.241   81.429   84.821
LGA    K    42_A      K    42_A     1.232     4    0.212   0.266     1.413   83.690   46.243
LGA    R    43_A      R    43_A     1.649     0    0.026   1.117     6.358   70.833   54.935
LGA    F    44_A      F    44_A     2.407     0    0.120   0.923     4.672   66.786   55.368
LGA    K    45_A      K    45_A     2.486     0    0.069   0.670     3.100   60.952   59.735
LGA    R    46_A      R    46_A     2.576     0    0.044   1.258     5.969   57.143   52.857
LGA    N    47_A      N    47_A     3.116     0    0.049   0.753     4.862   55.357   52.202
LGA    G    48_A      G    48_A     2.614     0    0.165   0.165     2.931   57.143   57.143
LGA    E    49_A      E    49_A     2.131     0    0.037   0.901     4.087   68.810   61.799
LGA    S    50_A      S    50_A     1.568     0    0.042   0.061     1.785   77.143   77.143
LGA    W    51_A      W    51_A     1.166     0    0.039   1.122     4.524   85.952   64.694
LGA    V    52_A      V    52_A     0.718     0    0.035   1.014     2.646   88.214   79.660
LGA    R    53_A      R    53_A     0.632     0    0.063   1.208     3.751   90.476   80.909
LGA    F    54_A      F    54_A     0.773     0    0.020   0.129     0.931   90.476   95.671
LGA    Y    55_A      Y    55_A     1.331     0    0.042   1.471     9.176   81.429   50.317
LGA    L    56_A      L    56_A     1.343     0    0.145   0.227     2.650   79.286   73.155
LGA    A    57_A      A    57_A     2.919     0    0.663   0.609     4.338   66.905   60.952
LGA    I    58_A      I    58_A     1.546     0    0.663   0.634     3.044   65.000   69.345
LGA    D    59_A      D    59_A     6.588     0    0.524   1.124    11.995   15.714    8.036
LGA    A    60_A      A    60_A     7.815     0    0.089   0.087     8.702    9.762    8.381
LGA    A    61_A      A    61_A     4.755     0    0.646   0.593     6.484   26.548   28.667
LGA    H    62_A      H    62_A     5.101     0    0.440   0.492     9.685   25.714   15.048
LGA    S    63_A      S    63_A     4.661     0    0.643   0.756     6.799   38.929   31.746
LGA    H    64_A      H    64_A     2.939     0    0.212   0.214     3.474   57.262   56.476
LGA    P    65_A      P    65_A     1.574     0    0.046   0.246     2.391   72.976   72.993
LGA    I    66_A      I    66_A     0.659     0    0.164   0.773     2.435   92.857   89.643
LGA    E    67_A      E    67_A     1.252     0    0.070   0.166     1.630   79.286   80.476
LGA    R    68_A      R    68_A     1.591     0    0.069   1.377     8.850   77.143   48.658
LGA    P    69_A      P    69_A     1.976     0    0.026   0.208     2.341   70.833   69.388
LGA    L    70_A      L    70_A     0.783     0    0.120   0.323     1.277   83.690   86.012
LGA    A    71_A      A    71_A     1.259     0    0.145   0.173     2.144   79.524   79.905
LGA    R    72_A      R    72_A     1.177     0    0.586   1.065     9.888   68.214   36.234
LGA    V    73_A      V    73_A     5.318     0    0.036   0.108     8.900   26.667   22.585
LGA    S    74_A      S    74_A     9.133     0    0.145   0.820    10.662    2.262    1.746
LGA    K    75_A      K    75_A    11.076     4    0.571   0.570    12.557    0.000    0.000
LGA    A    93_A      A    93_A     2.300     0    0.150   0.178     3.828   70.000   67.429
LGA    R    94_A      R    94_A     1.897     4    0.238   0.869     6.757   77.143   36.061
LGA    P    95_A      P    95_A     0.890     0    0.108   0.182     1.595   90.476   82.925
LGA    V    96_A      V    96_A     0.783     0    0.042   0.076     0.869   90.476   90.476
LGA    I    97_A      I    97_A     0.982     0    0.041   1.343     3.143   88.214   75.774
LGA    E    98_A      E    98_A     1.066     0    0.063   1.129     5.483   79.286   67.354
LGA    L    99_A      L    99_A     1.011     0    0.038   1.341     3.605   85.952   77.857
LGA    D   100_A      D   100_A     1.034     0    0.103   0.436     2.523   83.690   81.845
LGA    I   101_A      I   101_A     0.371     0    0.024   0.677     2.306   97.619   94.405
LGA    C   102_A      C   102_A     0.448     0    0.019   0.113     0.937   95.238   95.238
LGA    M   103_A      M   103_A     0.870     0    0.035   0.855     2.678   90.476   79.762
LGA    G   104_A      G   104_A     1.092     0    0.098   0.098     1.400   81.429   81.429
LGA    S   105_A      S   105_A     1.057     0    0.122   0.589     2.571   85.952   80.397
LGA    A   106_A      A   106_A     1.090     0    0.100   0.128     1.518   88.214   85.143
LGA    M   107_A      M   107_A     0.705     0    0.068   1.270     4.818   90.476   78.929
LGA    R   108_A      R   108_A     0.983     0    0.096   0.592     3.052   90.476   78.831
LGA    S   109_A      S   109_A     0.941     0    0.049   0.614     1.220   88.214   85.952
LGA    I   110_A      I   110_A     0.748     0    0.036   0.082     0.828   90.476   90.476
LGA    E   111_A      E   111_A     0.741     0    0.041   1.139     4.148   90.476   75.344
LGA    V   112_A      V   112_A     0.555     0    0.015   1.072     2.910   90.476   83.197
LGA    N   113_A      N   113_A     0.611     0    0.047   0.334     1.276   92.857   89.405
LGA    L   114_A      L   114_A     0.907     0    0.085   1.064     2.721   90.476   80.833
LGA    T   115_A      T   115_A     0.948     0    0.028   0.154     1.405   88.214   85.306
LGA    D   116_A      D   116_A     1.054     0    0.311   0.681     1.985   88.214   82.679
LGA    R   117_A      R   117_A     1.505     0    0.142   1.162    10.033   77.262   44.762
LGA    S   118_A      S   118_A     0.871     0    0.025   0.606     3.493   81.786   75.000
LGA    A   119_A      A   119_A     3.330     0    0.628   0.565     5.799   65.119   56.381
LGA    F   120_A      F   120_A     1.788     0    0.021   1.364     8.485   65.000   40.173
LGA    Q   121_A      Q   121_A     4.515     0    0.520   1.305     8.995   40.476   24.339
LGA    Y   122_A      Y   122_A     1.648     0    0.123   0.419     2.490   75.119   83.095
LGA    P   123_A      P   123_A     0.650     0    0.057   0.266     0.840   90.476   90.476
LGA    L   124_A      L   124_A     0.623     0    0.070   0.103     0.969   90.476   90.476
LGA    L   125_A      L   125_A     0.561     0    0.060   0.342     1.306   90.476   91.726
LGA    I   126_A      I   126_A     0.459     0    0.059   1.175     2.507   95.238   83.452
LGA    G   127_A      G   127_A     0.439     0    0.048   0.048     0.530   97.619   97.619
LGA    S   128_A      S   128_A     0.536     0    0.030   0.620     1.969   92.857   89.127
LGA    E   129_A      E   129_A     0.820     0    0.039   0.690     3.409   90.476   78.413
LGA    A   130_A      A   130_A     0.624     0    0.030   0.030     0.725   95.238   94.286
LGA    L   131_A      L   131_A     0.338     0    0.055   0.989     3.989  100.000   83.155
LGA    K   132_A      K   132_A     0.386     0    0.024   1.152     2.447  100.000   88.095
LGA    R   133_A      R   133_A     0.309     0    0.049   1.028     2.970  100.000   87.922
LGA    F   134_A      F   134_A     0.277     0    0.094   0.266     0.860   97.619   96.537
LGA    D   135_A      D   135_A     0.610     0    0.038   0.949     3.637   95.238   78.690
LGA    A   136_A      A   136_A     0.410     0    0.101   0.120     1.132   97.619   94.381
LGA    L   137_A      L   137_A     0.767     0    0.129   0.865     4.706   92.857   73.036
LGA    V   138_A      V   138_A     0.229     0    0.069   0.090     0.973  100.000   95.918
LGA    D   139_A      D   139_A     0.382     0    0.027   0.207     1.041  100.000   92.976
LGA    P   140_A      P   140_A     0.751     0    0.030   0.045     1.104   90.476   87.891
LGA    S   141_A      S   141_A     0.236     0    0.139   0.672     2.081   97.619   92.540
LGA    L   142_A      L   142_A     0.282     0    0.044   0.900     3.075   97.619   86.726
LGA    K   143_A      K   143_A     0.734     0    0.118   0.877     2.791   90.595   79.418
LGA    Y   144_A      Y   144_A     0.807     0    0.025   0.224     2.042   90.476   81.667
LGA    A   145_A      A   145_A     0.816     0    0.112   0.111     1.323   90.476   88.667
LGA    A   146_A      A   146_A     0.957     0    0.045   0.049     1.452   88.214   86.857

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      123     492    492  100.00     944    944  100.00               131
SUMMARY(RMSD_GDC):     2.209          2.228                  2.863           75.971   69.273

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  140  131    4.0    117    1.47    81.298    72.424     7.432

LGA_LOCAL      RMSD:   1.474  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.233  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   2.209  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.526863 * X  +  -0.835926 * Y  +   0.153767 * Z  + -54.690956
  Y_new =  -0.298035 * X  +   0.351122 * Y  +   0.887631 * Z  +  22.783169
  Z_new =  -0.795984 * X  +   0.421831 * Y  +  -0.434128 * Z  +  36.856098 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.626791  0.920632  2.370560   [DEG: -150.5040   52.7483  135.8231 ]
ZXZ:  2.970062  2.019867 -1.083477   [DEG:  170.1720  115.7299  -62.0787 ]
 
# END of job
