
#######################################################
#                                                     #
#                        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  159 ( 1222),  selected  131 , name one
# Molecule2: number of CA atoms  131 (  992),  selected  131 , 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:   131       4_A - 151_A       3.48     3.48
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127       4_A - 147_A       1.90     3.56
  LONGEST_CONTINUOUS_SEGMENT:   127       5_A - 148_A       1.99     3.55
  LCS_AVERAGE:     94.83

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38       5_A - 42_A        0.98     3.71
  LONGEST_CONTINUOUS_SEGMENT:    38       6_A - 43_A        1.00     3.70
  LCS_AVERAGE:     24.55

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  131
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     E     4_A     E     4_A      3  127  131      3   20   36   53   73  105  121  123  123  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     K     5_A     K     5_A     38  127  131      6   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     T     6_A     T     6_A     38  127  131     30   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     V     7_A     V     7_A     38  127  131     33   77   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     Y     8_A     Y     8_A     38  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     G     9_A     G     9_A     38  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     L    10_A     L    10_A     38  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     N    11_A     N    11_A     38  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     E    12_A     E    12_A     38  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     Y    13_A     Y    13_A     38  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     A    14_A     A    14_A     38  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     A    15_A     A    15_A     38  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     L    16_A     L    16_A     38  127  131     43   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     D    17_A     D    17_A     38  127  131     27   74   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     G    18_A     G    18_A     38  127  131      3   11   72  107  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     I    19_A     I    19_A     38  127  131     25   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     N    20_A     N    20_A     38  127  131      3   49   92  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     L    21_A     L    21_A     38  127  131      3   71   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     E    22_A     E    22_A     38  127  131      8   51   97  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     V    23_A     V    23_A     38  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     A    24_A     A    24_A     38  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     A    25_A     A    25_A     38  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     K    26_A     K    26_A     38  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     L    27_A     L    27_A     38  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     D    28_A     D    28_A     38  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     T    29_A     T    29_A     38  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     G    30_A     G    30_A     38  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     A    31_A     A    31_A     38  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     K    32_A     K    32_A     38  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     T    33_A     T    33_A     38  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     A    34_A     A    34_A     38  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     S    35_A     S    35_A     38  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     L    36_A     L    36_A     38  127  131     41   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     S    37_A     S    37_A     38  127  131     25   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     A    38_A     A    38_A     38  127  131     25   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     R    39_A     R    39_A     38  127  131      6   41   97  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     D    40_A     D    40_A     38  127  131     17   69   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     I    41_A     I    41_A     38  127  131     10   69   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     K    42_A     K    42_A     38  127  131     17   69   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     R    43_A     R    43_A     38  127  131     10   49   92  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     F    44_A     F    44_A     36  127  131     14   29   81  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     K    45_A     K    45_A     36  127  131     14   42   85  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     R    46_A     R    46_A     36  127  131     14   42   85  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     N    47_A     N    47_A     36  127  131     17   50   87  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     G    48_A     G    48_A     36  127  131     17   46   85  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     E    49_A     E    49_A     36  127  131     17   42   85  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     S    50_A     S    50_A     36  127  131     17   53   91  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     W    51_A     W    51_A     36  127  131     10   57   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     V    52_A     V    52_A     36  127  131     27   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     R    53_A     R    53_A     36  127  131     27   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     F    54_A     F    54_A     36  127  131     32   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     Y    55_A     Y    55_A     36  127  131     25   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     L    56_A     L    56_A     36  127  131     25   75   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     A    57_A     A    57_A     36  127  131      3    3   20   68  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     I    58_A     I    58_A     36  127  131      4   25   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     D    59_A     D    59_A      5  127  131      4    4    5    5   39   62   95  120  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     A    60_A     A    60_A      5  127  131      4    4    5   11   34   41   65   80  113  118  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     A    61_A     A    61_A      5  127  131      4    4    5    8   13   22   66   91  117  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     H    62_A     H    62_A      5  127  131      4    4   16   37   72  100  118  122  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     S    63_A     S    63_A      9  127  131      4    7   17   31   58  112  120  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     H    64_A     H    64_A     37  127  131      7   21   83  101  115  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     P    65_A     P    65_A     37  127  131     10   73   98  111  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     I    66_A     I    66_A     37  127  131     29   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     E    67_A     E    67_A     37  127  131     10   57   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     R    68_A     R    68_A     37  127  131     10   43   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     P    69_A     P    69_A     37  127  131     10   22   84  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     L    70_A     L    70_A     37  127  131     32   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     A    71_A     A    71_A     37  127  131     32   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     R    72_A     R    72_A     37  127  131     35   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     V    73_A     V    73_A     37  127  131     17   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     S    74_A     S    74_A     37  127  131     18   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     K    75_A     K    75_A     37  127  131      7   63   96  109  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     A    93_A     A    93_A     37  127  131     17   78   98  111  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     R    94_A     R    94_A     37  127  131     37   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     P    95_A     P    95_A     37  127  131     27   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     V    96_A     V    96_A     37  127  131     38   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     I    97_A     I    97_A     37  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     E    98_A     E    98_A     37  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     L    99_A     L    99_A     37  127  131     41   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     D   100_A     D   100_A     37  127  131     32   74   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     I   101_A     I   101_A     37  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     C   102_A     C   102_A     37  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     M   103_A     M   103_A     37  127  131     45   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     G   104_A     G   104_A     37  127  131     22   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     S   105_A     S   105_A     37  127  131     42   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     A   106_A     A   106_A     37  127  131     17   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     M   107_A     M   107_A     37  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     R   108_A     R   108_A     37  127  131     29   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     S   109_A     S   109_A     37  127  131     32   76   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     I   110_A     I   110_A     37  127  131     29   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     E   111_A     E   111_A     37  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     V   112_A     V   112_A     37  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     N   113_A     N   113_A     37  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     L   114_A     L   114_A     37  127  131     38   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     T   115_A     T   115_A     37  127  131     35   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     D   116_A     D   116_A     37  127  131     12   73   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     R   117_A     R   117_A     37  127  131      5   46   96  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     S   118_A     S   118_A     37  127  131     15   71   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     A   119_A     A   119_A      3  127  131      3    3    3    9   26   94  120  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     F   120_A     F   120_A      3  127  131      1    3   43   91  110  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     Q   121_A     Q   121_A     27  127  131      8   25   76  100  115  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     Y   122_A     Y   122_A     27  127  131     39   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     P   123_A     P   123_A     27  127  131     43   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     L   124_A     L   124_A     27  127  131     43   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     L   125_A     L   125_A     27  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     I   126_A     I   126_A     27  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     G   127_A     G   127_A     27  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     S   128_A     S   128_A     27  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     E   129_A     E   129_A     27  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     A   130_A     A   130_A     27  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     L   131_A     L   131_A     27  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     K   132_A     K   132_A     27  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     R   133_A     R   133_A     27  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     F   134_A     F   134_A     27  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     D   135_A     D   135_A     27  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     A   136_A     A   136_A     27  127  131     45   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     L   137_A     L   137_A     27  127  131     35   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     V   138_A     V   138_A     27  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     D   139_A     D   139_A     27  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     P   140_A     P   140_A     27  127  131     43   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     S   141_A     S   141_A     27  127  131     45   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     L   142_A     L   142_A     27  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     K   143_A     K   143_A     27  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     Y   144_A     Y   144_A     27  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     A   145_A     A   145_A     27  127  131     46   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     A   146_A     A   146_A     27  127  131      5   78   98  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     G   147_A     G   147_A     27  127  131      5   42   89  112  116  119  121  123  124  126  127  127  128  128  128  128  128  128  129  129 
LCS_GDT     K   148_A     K   148_A      5  127  131      4    4    5   12   16   27   41   51   70   90   98  126  128  128  128  128  128  128  129  129 
LCS_GDT     P   149_A     P   149_A      5    6  131      4    4    5    7    7    8    8    8   10   14   21   31   44   54   79   90  106  125  129  129 
LCS_GDT     A   150_A     A   150_A      5    6  131      4    4    5    7    7    8    8    8   10   10   11   12   16   17   18   20   28   29   49   61 
LCS_GDT     C   151_A     C   151_A      3    6  131      3    3    4    7    7    8    8    8   10   10   10   12   13   14   15   18   21   21   22   24 
LCS_AVERAGE  LCS_A:  73.13  (  24.55   94.83  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     46     78     98    112    116    119    121    123    124    126    127    127    128    128    128    128    128    128    129    129 
GDT PERCENT_AT  35.11  59.54  74.81  85.50  88.55  90.84  92.37  93.89  94.66  96.18  96.95  96.95  97.71  97.71  97.71  97.71  97.71  97.71  98.47  98.47
GDT RMS_LOCAL    0.34   0.60   0.82   1.11   1.16   1.24   1.36   1.50   1.61   1.78   1.90   1.90   2.03   2.03   2.03   2.03   2.03   2.03   2.36   2.36
GDT RMS_ALL_AT   3.70   3.70   3.71   3.64   3.64   3.63   3.62   3.61   3.59   3.57   3.56   3.56   3.55   3.55   3.55   3.55   3.55   3.55   3.52   3.52

# Checking swapping
#   possible swapping detected:  Y    13_A      Y    13_A
#   possible swapping detected:  D    17_A      D    17_A
#   possible swapping detected:  F    44_A      F    44_A
#   possible swapping detected:  E    49_A      E    49_A
#   possible swapping detected:  Y    55_A      Y    55_A
#   possible swapping detected:  D    59_A      D    59_A
#   possible swapping detected:  E   111_A      E   111_A
#   possible swapping detected:  E   129_A      E   129_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     4_A      E     4_A     5.321     4    0.520   0.499     7.284   33.452   15.979
LGA    K     5_A      K     5_A     1.397     0    0.600   1.127    11.462   83.690   44.656
LGA    T     6_A      T     6_A     0.630     0    0.070   0.094     1.152   90.595   89.252
LGA    V     7_A      V     7_A     0.999     0    0.041   1.047     2.639   88.214   80.612
LGA    Y     8_A      Y     8_A     0.558     0    0.031   0.100     0.933   95.238   95.238
LGA    G     9_A      G     9_A     0.469     0    0.069   0.069     0.814   92.857   92.857
LGA    L    10_A      L    10_A     0.746     0    0.028   1.126     4.382   90.476   75.536
LGA    N    11_A      N    11_A     0.381     0    0.027   1.059     2.300  100.000   88.810
LGA    E    12_A      E    12_A     0.439     0    0.041   0.141     0.700   95.238   96.825
LGA    Y    13_A      Y    13_A     0.601     0    0.045   0.243     2.005   90.476   81.667
LGA    A    14_A      A    14_A     0.500     0    0.055   0.065     0.511   92.857   94.286
LGA    A    15_A      A    15_A     0.441     0    0.017   0.032     0.460  100.000  100.000
LGA    L    16_A      L    16_A     0.800     0    0.076   0.141     1.577   85.952   82.619
LGA    D    17_A      D    17_A     1.314     0    0.616   0.665     3.201   75.357   73.393
LGA    G    18_A      G    18_A     2.275     0    0.093   0.093     2.275   68.810   68.810
LGA    I    19_A      I    19_A     1.447     0    0.639   0.856     3.254   71.429   69.226
LGA    N    20_A      N    20_A     2.184     0    0.164   0.659     5.031   66.786   59.107
LGA    L    21_A      L    21_A     1.413     0    0.036   0.991     3.814   79.286   75.655
LGA    E    22_A      E    22_A     1.741     0    0.044   1.176     7.408   75.000   51.429
LGA    V    23_A      V    23_A     0.845     0    0.104   0.108     2.223   92.857   85.578
LGA    A    24_A      A    24_A     1.068     0    0.076   0.080     1.334   83.690   83.238
LGA    A    25_A      A    25_A     0.480     0    0.065   0.070     0.603   97.619   98.095
LGA    K    26_A      K    26_A     0.561     0    0.073   0.917     2.890   92.857   84.868
LGA    L    27_A      L    27_A     0.411     0    0.055   0.156     0.506  100.000   98.810
LGA    D    28_A      D    28_A     0.323     0    0.052   0.082     0.708  100.000   96.429
LGA    T    29_A      T    29_A     0.355     0    0.084   0.075     0.795   97.619   94.558
LGA    G    30_A      G    30_A     0.620     0    0.123   0.123     0.620   97.619   97.619
LGA    A    31_A      A    31_A     0.468     0    0.019   0.027     0.677   92.857   92.381
LGA    K    32_A      K    32_A     0.647     0    0.017   0.975     3.242   90.476   74.868
LGA    T    33_A      T    33_A     0.807     0    0.032   0.084     1.187   90.476   89.184
LGA    A    34_A      A    34_A     0.746     0    0.052   0.051     0.862   90.476   90.476
LGA    S    35_A      S    35_A     0.619     0    0.048   0.718     2.541   90.476   84.921
LGA    L    36_A      L    36_A     0.919     0    0.038   0.040     1.391   90.476   85.952
LGA    S    37_A      S    37_A     1.006     0    0.047   0.067     1.609   88.214   84.524
LGA    A    38_A      A    38_A     0.755     0    0.041   0.064     1.544   83.810   87.048
LGA    R    39_A      R    39_A     1.593     0    0.099   1.203     7.121   79.286   52.468
LGA    D    40_A      D    40_A     1.348     0    0.027   0.199     1.680   81.429   79.286
LGA    I    41_A      I    41_A     1.312     0    0.051   0.114     1.528   79.286   80.357
LGA    K    42_A      K    42_A     1.433     4    0.157   0.180     1.462   81.429   45.238
LGA    R    43_A      R    43_A     2.045     0    0.026   0.891     5.483   62.857   53.550
LGA    F    44_A      F    44_A     2.734     0    0.113   1.107     5.285   60.952   49.740
LGA    K    45_A      K    45_A     2.515     0    0.033   0.892     3.050   57.143   58.042
LGA    R    46_A      R    46_A     2.547     0    0.034   1.022     2.596   60.952   67.143
LGA    N    47_A      N    47_A     2.392     0    0.042   1.346     5.527   64.762   56.548
LGA    G    48_A      G    48_A     2.484     0    0.116   0.116     3.026   59.167   59.167
LGA    E    49_A      E    49_A     2.368     0    0.057   0.873     4.180   64.762   57.566
LGA    S    50_A      S    50_A     1.784     0    0.059   0.707     3.039   77.143   71.905
LGA    W    51_A      W    51_A     1.314     0    0.063   0.296     2.939   81.429   72.585
LGA    V    52_A      V    52_A     0.388     0    0.033   1.161     3.088   95.238   86.258
LGA    R    53_A      R    53_A     0.482     0    0.048   1.404     7.157   95.238   70.173
LGA    F    54_A      F    54_A     0.557     0    0.019   0.192     0.621   92.857   96.537
LGA    Y    55_A      Y    55_A     1.174     0    0.052   0.145     1.696   83.690   77.183
LGA    L    56_A      L    56_A     1.216     0    0.128   0.197     2.671   79.286   73.155
LGA    A    57_A      A    57_A     2.927     0    0.660   0.605     4.410   69.048   62.667
LGA    I    58_A      I    58_A     1.545     0    0.674   1.667     4.337   66.905   61.548
LGA    D    59_A      D    59_A     6.343     0    0.539   1.432    11.290   17.262    8.810
LGA    A    60_A      A    60_A     8.210     0    0.119   0.116     9.209    6.071    5.143
LGA    A    61_A      A    61_A     7.161     0    0.285   0.290     7.161   13.452   13.429
LGA    H    62_A      H    62_A     5.950     0    0.644   1.203     9.279   19.762   13.857
LGA    S    63_A      S    63_A     4.854     0    0.658   0.744     6.865   37.262   30.635
LGA    H    64_A      H    64_A     2.859     0    0.225   1.158     4.472   59.167   61.095
LGA    P    65_A      P    65_A     1.522     0    0.037   0.250     2.363   75.000   74.150
LGA    I    66_A      I    66_A     0.432     0    0.188   0.971     2.506   95.238   84.286
LGA    E    67_A      E    67_A     1.211     0    0.107   0.397     2.882   79.286   69.683
LGA    R    68_A      R    68_A     1.298     0    0.049   0.606     3.051   81.429   77.792
LGA    P    69_A      P    69_A     1.782     0    0.030   0.087     2.896   77.143   69.660
LGA    L    70_A      L    70_A     0.506     0    0.112   0.317     1.207   88.214   91.726
LGA    A    71_A      A    71_A     0.998     0    0.054   0.077     1.329   85.952   85.048
LGA    R    72_A      R    72_A     1.069     0    0.021   1.715     8.960   81.429   48.312
LGA    V    73_A      V    73_A     1.385     0    0.137   0.147     2.020   81.429   76.599
LGA    S    74_A      S    74_A     1.316     0    0.098   0.690     3.414   73.214   70.714
LGA    K    75_A      K    75_A     2.099     4    0.079   0.138     2.574   62.976   35.185
LGA    A    93_A      A    93_A     1.584     0    0.493   0.547     3.498   65.119   66.667
LGA    R    94_A      R    94_A     0.749     4    0.079   0.730     3.584   88.214   50.823
LGA    P    95_A      P    95_A     0.899     0    0.039   0.245     1.024   90.476   89.184
LGA    V    96_A      V    96_A     0.552     0    0.026   0.063     0.710   90.476   90.476
LGA    I    97_A      I    97_A     0.990     0    0.052   1.337     2.671   85.952   75.536
LGA    E    98_A      E    98_A     1.179     0    0.026   0.524     2.636   81.429   73.175
LGA    L    99_A      L    99_A     1.222     0    0.009   1.382     4.095   81.429   73.750
LGA    D   100_A      D   100_A     1.492     0    0.068   0.135     2.678   79.286   73.095
LGA    I   101_A      I   101_A     0.673     0    0.022   0.661     1.849   90.476   88.274
LGA    C   102_A      C   102_A     0.448     0    0.024   0.117     1.111   95.238   93.730
LGA    M   103_A      M   103_A     0.803     0    0.030   1.106     3.831   88.214   78.036
LGA    G   104_A      G   104_A     1.233     0    0.115   0.115     1.460   81.429   81.429
LGA    S   105_A      S   105_A     1.157     0    0.134   0.668     1.505   81.429   80.000
LGA    A   106_A      A   106_A     1.295     0    0.093   0.114     1.714   83.690   81.524
LGA    M   107_A      M   107_A     0.806     0    0.077   1.038     2.813   85.952   75.536
LGA    R   108_A      R   108_A     1.259     0    0.103   0.959     3.628   81.429   73.463
LGA    S   109_A      S   109_A     1.388     0    0.082   0.657     2.446   81.429   77.222
LGA    I   110_A      I   110_A     0.947     0    0.053   0.693     1.693   88.214   86.012
LGA    E   111_A      E   111_A     0.816     0    0.035   1.027     3.886   90.476   77.566
LGA    V   112_A      V   112_A     0.561     0    0.020   0.088     0.778   90.476   90.476
LGA    N   113_A      N   113_A     0.581     0    0.074   0.428     1.494   90.476   88.214
LGA    L   114_A      L   114_A     0.703     0    0.052   0.070     1.038   90.476   89.345
LGA    T   115_A      T   115_A     0.631     0    0.018   0.990     2.017   88.214   82.993
LGA    D   116_A      D   116_A     1.337     0    0.346   0.651     1.929   90.595   84.940
LGA    R   117_A      R   117_A     1.610     0    0.162   1.489    11.773   77.262   39.437
LGA    S   118_A      S   118_A     1.074     0    0.658   0.890     5.679   75.119   61.984
LGA    A   119_A      A   119_A     5.235     0    0.634   0.569     7.813   28.571   24.286
LGA    F   120_A      F   120_A     3.553     0    0.557   1.456     8.451   61.905   31.082
LGA    Q   121_A      Q   121_A     2.989     0    0.559   0.670     9.470   57.262   32.804
LGA    Y   122_A      Y   122_A     1.372     0    0.029   0.420     1.726   79.286   84.524
LGA    P   123_A      P   123_A     0.878     0    0.046   0.101     0.993   90.476   90.476
LGA    L   124_A      L   124_A     0.713     0    0.079   0.113     1.177   90.476   89.345
LGA    L   125_A      L   125_A     0.604     0    0.060   1.202     3.233   90.476   81.250
LGA    I   126_A      I   126_A     0.501     0    0.064   1.155     2.429   90.476   82.024
LGA    G   127_A      G   127_A     0.486     0    0.058   0.058     0.514   97.619   97.619
LGA    S   128_A      S   128_A     0.599     0    0.031   0.044     0.973   90.476   90.476
LGA    E   129_A      E   129_A     0.974     0    0.035   1.238     5.318   90.476   66.772
LGA    A   130_A      A   130_A     0.680     0    0.023   0.030     0.752   92.857   92.381
LGA    L   131_A      L   131_A     0.377     0    0.050   0.210     0.669   95.238   96.429
LGA    K   132_A      K   132_A     0.583     0    0.033   1.153     6.246   90.476   73.386
LGA    R   133_A      R   133_A     0.642     0    0.066   1.153     5.080   95.238   67.229
LGA    F   134_A      F   134_A     0.398     0    0.079   0.250     0.792   95.238   95.671
LGA    D   135_A      D   135_A     0.823     0    0.030   0.958     3.190   88.214   75.774
LGA    A   136_A      A   136_A     0.557     0    0.094   0.110     1.018   92.857   90.571
LGA    L   137_A      L   137_A     0.985     0    0.125   1.065     4.060   90.476   74.345
LGA    V   138_A      V   138_A     0.290     0    0.059   0.069     0.757   97.619   94.558
LGA    D   139_A      D   139_A     0.363     0    0.028   0.168     0.677  100.000   95.238
LGA    P   140_A      P   140_A     0.567     0    0.047   0.104     0.850   92.857   94.558
LGA    S   141_A      S   141_A     0.414     0    0.137   0.131     0.735   97.619   95.238
LGA    L   142_A      L   142_A     0.606     0    0.040   0.130     0.934   90.476   90.476
LGA    K   143_A      K   143_A     1.025     0    0.096   0.746     3.482   83.690   75.291
LGA    Y   144_A      Y   144_A     1.014     0    0.044   0.124     1.484   83.690   82.183
LGA    A   145_A      A   145_A     1.210     0    0.056   0.056     1.756   85.952   83.333
LGA    A   146_A      A   146_A     1.112     0    0.176   0.175     1.930   81.548   79.810
LGA    G   147_A      G   147_A     1.900     0    0.125   0.125     6.066   50.714   50.714
LGA    K   148_A      K   148_A     8.798     4    0.025   0.038    10.275    6.190    2.804
LGA    P   149_A      P   149_A    14.260     0    0.095   0.144    16.390    0.000    0.000
LGA    A   150_A      A   150_A    18.495     0    0.459   0.481    20.555    0.000    0.000
LGA    C   151_A      C   151_A    24.658     0    0.519   0.526    27.504    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      131     524    524  100.00     992    992  100.00               131
SUMMARY(RMSD_GDC):     3.482          3.553                  3.729           78.426   71.872

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  159  131    4.0    123    1.50    84.160    89.614     7.674

LGA_LOCAL      RMSD:   1.503  Number of atoms:  123  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.605  Number of assigned atoms:  131 
Std_ASGN_ATOMS RMSD:   3.482  Standard rmsd on all 131 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.079485 * X  +   0.533543 * Y  +   0.842030 * Z  + -30.098846
  Y_new =  -0.566596 * X  +  -0.670803 * Y  +   0.478532 * Z  +  10.263374
  Z_new =   0.820153 * X  +  -0.515127 * Y  +   0.248985 * Z  +  -8.052015 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.431421 -0.961678 -1.120560   [DEG:  -82.0144  -55.1001  -64.2033 ]
ZXZ:  2.087586  1.319164  2.131612   [DEG:  119.6099   75.5825  122.1324 ]
 
# END of job
