
#######################################################
#                                                     #
#                        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       3.35     3.35
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127       4_A - 147_A       1.87     3.43
  LONGEST_CONTINUOUS_SEGMENT:   127       5_A - 148_A       1.94     3.42
  LCS_AVERAGE:     94.83

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    39       5_A - 43_A        1.00     3.56
  LCS_AVERAGE:     24.75

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   18   36   49   58   85  116  122  124  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     K     5_A     K     5_A     39  127  131     28   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     T     6_A     T     6_A     39  127  131     32   73   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     V     7_A     V     7_A     39  127  131     24   70   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     Y     8_A     Y     8_A     39  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     G     9_A     G     9_A     39  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     L    10_A     L    10_A     39  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     N    11_A     N    11_A     39  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     E    12_A     E    12_A     39  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     Y    13_A     Y    13_A     39  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    14_A     A    14_A     39  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    15_A     A    15_A     39  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     L    16_A     L    16_A     39  127  131     43   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     D    17_A     D    17_A     39  127  131     23   71   94  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     G    18_A     G    18_A     39  127  131      3   13   65  106  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     I    19_A     I    19_A     39  127  131     22   76   96  110  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     N    20_A     N    20_A     39  127  131      8   42   94  110  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     L    21_A     L    21_A     39  127  131      8   72   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     E    22_A     E    22_A     39  127  131     16   68   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     V    23_A     V    23_A     39  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    24_A     A    24_A     39  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    25_A     A    25_A     39  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     K    26_A     K    26_A     39  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     L    27_A     L    27_A     39  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     D    28_A     D    28_A     39  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     T    29_A     T    29_A     39  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     G    30_A     G    30_A     39  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    31_A     A    31_A     39  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     K    32_A     K    32_A     39  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     T    33_A     T    33_A     39  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    34_A     A    34_A     39  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     S    35_A     S    35_A     39  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     L    36_A     L    36_A     39  127  131     43   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     S    37_A     S    37_A     39  127  131     22   75   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    38_A     A    38_A     39  127  131     26   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     R    39_A     R    39_A     39  127  131      6   50   93  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     D    40_A     D    40_A     39  127  131     15   71   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     I    41_A     I    41_A     39  127  131     15   71   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     K    42_A     K    42_A     39  127  131     11   71   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     R    43_A     R    43_A     39  127  131      6   27   88  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     F    44_A     F    44_A     36  127  131      5   45   87  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     K    45_A     K    45_A     36  127  131     15   43   83  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     R    46_A     R    46_A     36  127  131     15   43   83  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     N    47_A     N    47_A     36  127  131     15   45   83  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     G    48_A     G    48_A     36  127  131     15   43   82  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     E    49_A     E    49_A     36  127  131     15   43   83  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     S    50_A     S    50_A     36  127  131     15   51   87  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     W    51_A     W    51_A     36  127  131      7   51   92  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     V    52_A     V    52_A     36  127  131     11   73   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     R    53_A     R    53_A     36  127  131     33   75   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     F    54_A     F    54_A     36  127  131     31   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     Y    55_A     Y    55_A     36  127  131     22   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     L    56_A     L    56_A     36  127  131     17   73   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    57_A     A    57_A     36  127  131      3    5   33   66  115  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     I    58_A     I    58_A     36  127  131      3   65   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     D    59_A     D    59_A      5  127  131      4    4    5    5    6   46   85  120  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    60_A     A    60_A      5  127  131      4    4   10   29   46   68   99  109  121  124  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    61_A     A    61_A      5  127  131      4    4    6   13   23   75  114  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     H    62_A     H    62_A      5  127  131      4   17   26   47   76  102  118  121  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     S    63_A     S    63_A      5  127  131      4    6   18   30   58   98  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     H    64_A     H    64_A     37  127  131      5   18   84  103  115  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     P    65_A     P    65_A     37  127  131      8   72   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     I    66_A     I    66_A     37  127  131     32   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     E    67_A     E    67_A     37  127  131      8   62   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     R    68_A     R    68_A     37  127  131      8   34   94  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     P    69_A     P    69_A     37  127  131      8   20   89  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     L    70_A     L    70_A     37  127  131     33   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    71_A     A    71_A     37  127  131     33   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     R    72_A     R    72_A     37  127  131     26   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     V    73_A     V    73_A     37  127  131      6   61   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     S    74_A     S    74_A     37  127  131     12   71   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     K    75_A     K    75_A     37  127  131      6   33   94  107  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    93_A     A    93_A     37  127  131     17   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     R    94_A     R    94_A     37  127  131     33   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     P    95_A     P    95_A     37  127  131     25   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     V    96_A     V    96_A     37  127  131     38   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     I    97_A     I    97_A     37  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     E    98_A     E    98_A     37  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     L    99_A     L    99_A     37  127  131     43   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     D   100_A     D   100_A     37  127  131     26   73   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     I   101_A     I   101_A     37  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     C   102_A     C   102_A     37  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     M   103_A     M   103_A     37  127  131     39   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     G   104_A     G   104_A     37  127  131     33   75   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     S   105_A     S   105_A     37  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     A   106_A     A   106_A     37  127  131     17   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     M   107_A     M   107_A     37  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     R   108_A     R   108_A     37  127  131     31   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     S   109_A     S   109_A     37  127  131     31   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     I   110_A     I   110_A     37  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     E   111_A     E   111_A     37  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     V   112_A     V   112_A     37  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     N   113_A     N   113_A     37  127  131     43   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     L   114_A     L   114_A     37  127  131     38   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     T   115_A     T   115_A     37  127  131     31   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     D   116_A     D   116_A     37  127  131     12   67   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     R   117_A     R   117_A     37  127  131      3   29   93  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     S   118_A     S   118_A     37  127  131     16   73   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     A   119_A     A   119_A      3  127  131      3    3    3    9   61   96  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     F   120_A     F   120_A      3  127  131      6   16   26   73  105  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     Q   121_A     Q   121_A     27  127  131      9   29   74  100  114  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     Y   122_A     Y   122_A     27  127  131     40   75   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     P   123_A     P   123_A     27  127  131     43   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     L   124_A     L   124_A     27  127  131     43   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     L   125_A     L   125_A     27  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     I   126_A     I   126_A     27  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     G   127_A     G   127_A     27  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     S   128_A     S   128_A     27  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     E   129_A     E   129_A     27  127  131     44   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     A   130_A     A   130_A     27  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     L   131_A     L   131_A     27  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     K   132_A     K   132_A     27  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     R   133_A     R   133_A     27  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     F   134_A     F   134_A     27  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     D   135_A     D   135_A     27  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     A   136_A     A   136_A     27  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     L   137_A     L   137_A     27  127  131     26   74   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     V   138_A     V   138_A     27  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     D   139_A     D   139_A     27  127  131     42   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     P   140_A     P   140_A     27  127  131     31   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     S   141_A     S   141_A     27  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     L   142_A     L   142_A     27  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     K   143_A     K   143_A     27  127  131     31   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     Y   144_A     Y   144_A     27  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     A   145_A     A   145_A     27  127  131     45   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     A   146_A     A   146_A     27  127  131     25   76   96  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     G   147_A     G   147_A     27  127  131      5   37   84  111  116  119  120  122  125  126  127  127  128  128  128  128  128  129  129  129 
LCS_GDT     K   148_A     K   148_A      5  127  131      4    4    6   11   18   29   44   53   71   84  102  125  128  128  128  128  128  129  129  129 
LCS_GDT     P   149_A     P   149_A      5    6  131      4    4    6    6    6    7    8    8   14   18   24   40   53   68   86   94  123  129  129  129 
LCS_GDT     A   150_A     A   150_A      5    6  131      3    4    6    6    6    7    8    8   10   11   15   15   15   25   31   33   37   38   46  122 
LCS_GDT     C   151_A     C   151_A      3    6  131      3    3    3    4    6    7    8    8   10   11   12   13   13   14   16   21   22   27   29   31 
LCS_AVERAGE  LCS_A:  73.20  (  24.75   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     45     76     96    111    116    119    120    122    125    126    127    127    128    128    128    128    128    129    129    129 
GDT PERCENT_AT  34.35  58.02  73.28  84.73  88.55  90.84  91.60  93.13  95.42  96.18  96.95  96.95  97.71  97.71  97.71  97.71  97.71  98.47  98.47  98.47
GDT RMS_LOCAL    0.33   0.62   0.81   1.14   1.19   1.26   1.30   1.46   1.68   1.77   1.87   1.87   2.01   2.01   2.01   2.01   2.01   2.30   2.30   2.30
GDT RMS_ALL_AT   3.56   3.59   3.58   3.48   3.49   3.49   3.48   3.48   3.45   3.43   3.43   3.43   3.41   3.41   3.41   3.41   3.41   3.39   3.39   3.39

# Checking swapping
#   possible swapping detected:  Y    13_A      Y    13_A
#   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    67_A      E    67_A
#   possible swapping detected:  E    98_A      E    98_A
#   possible swapping detected:  F   120_A      F   120_A
#   possible swapping detected:  Y   144_A      Y   144_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     4_A      E     4_A     6.372     4    0.533   0.509     8.205   23.452   10.952
LGA    K     5_A      K     5_A     0.823     0    0.591   1.306    10.435   84.048   46.878
LGA    T     6_A      T     6_A     0.942     0    0.066   0.102     1.446   85.952   85.306
LGA    V     7_A      V     7_A     1.160     0    0.055   1.020     2.861   81.429   77.959
LGA    Y     8_A      Y     8_A     0.625     0    0.049   0.163     1.539   92.857   88.333
LGA    G     9_A      G     9_A     0.402     0    0.068   0.068     0.723   95.238   95.238
LGA    L    10_A      L    10_A     0.666     0    0.026   1.182     4.559   90.476   75.833
LGA    N    11_A      N    11_A     0.422     0    0.030   0.391     1.438  100.000   94.107
LGA    E    12_A      E    12_A     0.490     0    0.042   0.358     1.658   95.238   93.810
LGA    Y    13_A      Y    13_A     0.634     0    0.054   1.475    10.945   90.476   49.563
LGA    A    14_A      A    14_A     0.514     0    0.049   0.072     0.563   90.476   92.381
LGA    A    15_A      A    15_A     0.425     0    0.019   0.040     0.495  100.000  100.000
LGA    L    16_A      L    16_A     0.761     0    0.085   0.150     1.217   85.952   85.952
LGA    D    17_A      D    17_A     1.301     0    0.623   0.765     3.120   75.357   70.298
LGA    G    18_A      G    18_A     2.270     0    0.100   0.100     2.270   68.810   68.810
LGA    I    19_A      I    19_A     1.481     0    0.648   0.889     3.338   69.286   67.202
LGA    N    20_A      N    20_A     2.175     0    0.195   0.846     5.674   66.786   50.774
LGA    L    21_A      L    21_A     1.512     0    0.042   0.847     2.556   72.857   73.333
LGA    E    22_A      E    22_A     1.786     0    0.035   1.026     5.224   75.000   59.947
LGA    V    23_A      V    23_A     0.813     0    0.100   0.101     1.825   90.476   85.374
LGA    A    24_A      A    24_A     1.025     0    0.080   0.084     1.246   83.690   83.238
LGA    A    25_A      A    25_A     0.478     0    0.063   0.070     0.599   97.619   98.095
LGA    K    26_A      K    26_A     0.516     0    0.071   0.722     1.866   92.857   88.624
LGA    L    27_A      L    27_A     0.303     0    0.055   0.179     0.438  100.000  100.000
LGA    D    28_A      D    28_A     0.349     0    0.052   0.133     0.646  100.000   98.810
LGA    T    29_A      T    29_A     0.546     0    0.107   0.095     1.227   92.857   89.252
LGA    G    30_A      G    30_A     0.750     0    0.112   0.112     0.750   92.857   92.857
LGA    A    31_A      A    31_A     0.671     0    0.022   0.028     0.697   90.476   90.476
LGA    K    32_A      K    32_A     0.830     0    0.020   0.946     2.836   90.476   77.249
LGA    T    33_A      T    33_A     0.799     0    0.046   0.146     1.400   90.476   87.891
LGA    A    34_A      A    34_A     0.749     0    0.047   0.049     0.895   90.476   90.476
LGA    S    35_A      S    35_A     0.599     0    0.048   0.685     2.344   90.476   86.190
LGA    L    36_A      L    36_A     0.931     0    0.033   0.039     1.214   90.476   88.214
LGA    S    37_A      S    37_A     1.016     0    0.038   0.198     1.886   85.952   81.587
LGA    A    38_A      A    38_A     0.734     0    0.055   0.089     1.604   83.810   87.048
LGA    R    39_A      R    39_A     1.621     0    0.097   0.771     2.718   79.286   69.351
LGA    D    40_A      D    40_A     1.232     0    0.033   0.108     1.566   83.690   82.619
LGA    I    41_A      I    41_A     1.316     0    0.035   0.181     1.558   81.429   80.357
LGA    K    42_A      K    42_A     1.293     4    0.243   0.266     1.431   83.690   46.243
LGA    R    43_A      R    43_A     2.105     0    0.030   2.027    11.672   62.857   37.273
LGA    F    44_A      F    44_A     2.406     0    0.045   0.376     2.959   64.762   62.684
LGA    K    45_A      K    45_A     2.627     0    0.042   0.706     3.082   57.143   58.042
LGA    R    46_A      R    46_A     2.630     0    0.045   1.655     5.738   57.143   52.771
LGA    N    47_A      N    47_A     2.524     0    0.039   0.960     4.411   57.143   52.857
LGA    G    48_A      G    48_A     2.869     0    0.067   0.067     3.223   55.357   55.357
LGA    E    49_A      E    49_A     2.599     0    0.042   1.057     4.669   60.952   52.222
LGA    S    50_A      S    50_A     2.032     0    0.035   0.667     2.867   70.952   68.968
LGA    W    51_A      W    51_A     1.685     0    0.144   1.105     4.506   75.000   61.429
LGA    V    52_A      V    52_A     0.710     0    0.047   1.163     2.829   88.214   80.748
LGA    R    53_A      R    53_A     0.426     0    0.038   1.245     6.889   92.857   66.753
LGA    F    54_A      F    54_A     0.580     0    0.014   0.128     0.656   92.857   94.805
LGA    Y    55_A      Y    55_A     1.196     0    0.038   0.127     1.858   83.690   77.183
LGA    L    56_A      L    56_A     1.224     0    0.147   0.263     2.658   79.286   73.155
LGA    A    57_A      A    57_A     2.886     0    0.667   0.612     4.231   66.905   60.952
LGA    I    58_A      I    58_A     1.513     0    0.684   1.581     3.998   66.905   61.250
LGA    D    59_A      D    59_A     6.240     0    0.535   1.405    11.367   18.929    9.643
LGA    A    60_A      A    60_A     7.368     0    0.106   0.105     8.461   12.976   11.333
LGA    A    61_A      A    61_A     5.305     0    0.218   0.218     5.658   30.238   28.476
LGA    H    62_A      H    62_A     5.710     0    0.099   0.959     7.690   25.119   16.095
LGA    S    63_A      S    63_A     5.118     0    0.646   0.585     7.156   32.976   27.222
LGA    H    64_A      H    64_A     2.729     0    0.259   1.105     3.974   59.167   63.143
LGA    P    65_A      P    65_A     1.384     0    0.056   0.244     2.192   77.143   76.599
LGA    I    66_A      I    66_A     0.493     0    0.184   1.381     3.702   95.238   79.583
LGA    E    67_A      E    67_A     1.224     0    0.080   0.709     3.795   79.286   65.767
LGA    R    68_A      R    68_A     1.492     0    0.043   0.953     4.090   81.429   72.900
LGA    P    69_A      P    69_A     1.753     0    0.023   0.441     2.052   77.143   75.374
LGA    L    70_A      L    70_A     0.556     0    0.145   0.388     1.413   88.214   88.274
LGA    A    71_A      A    71_A     0.950     0    0.048   0.067     1.304   85.952   86.857
LGA    R    72_A      R    72_A     1.071     0    0.027   1.110     6.062   81.429   56.494
LGA    V    73_A      V    73_A     1.679     0    0.133   1.130     4.566   75.000   64.762
LGA    S    74_A      S    74_A     1.652     0    0.106   0.505     3.472   66.905   65.079
LGA    K    75_A      K    75_A     2.326     4    0.086   0.114     2.631   64.881   35.185
LGA    A    93_A      A    93_A     1.607     0    0.550   0.601     3.788   63.452   67.048
LGA    R    94_A      R    94_A     0.751     4    0.057   0.750     3.368   88.214   53.074
LGA    P    95_A      P    95_A     0.906     0    0.043   0.243     1.010   90.476   89.184
LGA    V    96_A      V    96_A     0.542     0    0.024   0.134     0.652   90.476   93.197
LGA    I    97_A      I    97_A     0.911     0    0.026   0.634     2.528   90.476   84.048
LGA    E    98_A      E    98_A     1.162     0    0.046   0.995     2.959   79.286   69.577
LGA    L    99_A      L    99_A     1.243     0    0.013   1.355     4.211   81.429   74.821
LGA    D   100_A      D   100_A     1.551     0    0.068   0.255     3.847   77.143   67.321
LGA    I   101_A      I   101_A     0.619     0    0.016   0.640     1.731   90.476   87.143
LGA    C   102_A      C   102_A     0.459     0    0.027   0.099     0.882   95.238   95.238
LGA    M   103_A      M   103_A     0.911     0    0.040   0.355     2.435   85.952   82.738
LGA    G   104_A      G   104_A     1.282     0    0.120   0.120     1.453   81.429   81.429
LGA    S   105_A      S   105_A     1.124     0    0.100   0.097     1.645   81.429   80.000
LGA    A   106_A      A   106_A     1.241     0    0.082   0.098     1.578   83.690   81.524
LGA    M   107_A      M   107_A     0.875     0    0.061   0.997     1.789   85.952   80.476
LGA    R   108_A      R   108_A     1.260     0    0.088   0.227     2.232   81.429   76.017
LGA    S   109_A      S   109_A     1.347     0    0.090   0.652     2.290   81.429   77.222
LGA    I   110_A      I   110_A     0.881     0    0.053   0.762     2.042   88.214   81.786
LGA    E   111_A      E   111_A     0.687     0    0.030   0.727     3.122   90.476   83.968
LGA    V   112_A      V   112_A     0.552     0    0.021   0.094     0.776   90.476   90.476
LGA    N   113_A      N   113_A     0.551     0    0.080   0.282     1.393   92.857   90.536
LGA    L   114_A      L   114_A     0.680     0    0.042   0.057     0.948   90.476   90.476
LGA    T   115_A      T   115_A     0.628     0    0.021   1.041     2.084   90.476   84.286
LGA    D   116_A      D   116_A     1.270     0    0.329   0.618     1.803   88.214   84.881
LGA    R   117_A      R   117_A     1.630     0    0.148   1.633    11.239   79.405   39.091
LGA    S   118_A      S   118_A     1.078     0    0.662   0.739     4.746   75.119   63.651
LGA    A   119_A      A   119_A     5.125     0    0.637   0.571     7.665   29.524   25.048
LGA    F   120_A      F   120_A     3.498     0    0.556   1.479     8.242   65.833   33.247
LGA    Q   121_A      Q   121_A     3.040     0    0.574   1.214    10.914   53.571   28.307
LGA    Y   122_A      Y   122_A     1.469     0    0.039   0.435     1.808   79.286   84.524
LGA    P   123_A      P   123_A     0.866     0    0.064   0.266     0.974   90.476   90.476
LGA    L   124_A      L   124_A     0.725     0    0.088   0.131     1.197   90.476   89.345
LGA    L   125_A      L   125_A     0.596     0    0.062   0.343     1.417   90.476   89.345
LGA    I   126_A      I   126_A     0.492     0    0.077   0.976     2.137   92.857   83.036
LGA    G   127_A      G   127_A     0.493     0    0.053   0.053     0.528   95.238   95.238
LGA    S   128_A      S   128_A     0.538     0    0.031   0.623     1.954   92.857   89.127
LGA    E   129_A      E   129_A     0.983     0    0.042   0.956     2.608   90.476   80.899
LGA    A   130_A      A   130_A     0.632     0    0.023   0.028     0.734   95.238   94.286
LGA    L   131_A      L   131_A     0.357     0    0.047   0.128     0.549   97.619   98.810
LGA    K   132_A      K   132_A     0.527     0    0.034   0.920     2.514   92.857   80.159
LGA    R   133_A      R   133_A     0.532     0    0.065   1.189     3.161   95.238   82.900
LGA    F   134_A      F   134_A     0.300     0    0.056   0.238     1.027   97.619   95.714
LGA    D   135_A      D   135_A     0.856     0    0.048   0.308     2.343   90.476   82.798
LGA    A   136_A      A   136_A     0.573     0    0.068   0.073     0.963   90.476   92.381
LGA    L   137_A      L   137_A     1.184     0    0.117   1.282     5.310   88.214   68.988
LGA    V   138_A      V   138_A     0.292     0    0.058   0.077     0.686   95.238   95.918
LGA    D   139_A      D   139_A     0.401     0    0.040   0.186     0.772  100.000   95.238
LGA    P   140_A      P   140_A     0.676     0    0.046   0.108     0.903   90.476   90.476
LGA    S   141_A      S   141_A     0.426     0    0.091   0.646     2.068  100.000   92.540
LGA    L   142_A      L   142_A     0.566     0    0.051   0.102     1.363   92.857   90.536
LGA    K   143_A      K   143_A     1.276     0    0.128   0.941     4.470   83.690   70.476
LGA    Y   144_A      Y   144_A     0.958     0    0.029   0.273     1.920   85.952   80.794
LGA    A   145_A      A   145_A     1.230     0    0.041   0.044     1.796   83.690   81.524
LGA    A   146_A      A   146_A     1.062     0    0.184   0.184     1.914   81.548   79.810
LGA    G   147_A      G   147_A     1.951     0    0.145   0.145     6.038   50.714   50.714
LGA    K   148_A      K   148_A     8.866     4    0.068   0.089    10.207    5.000    2.222
LGA    P   149_A      P   149_A    13.560     0    0.152   0.274    16.225    0.000    0.000
LGA    A   150_A      A   150_A    18.220     0    0.434   0.454    19.457    0.000    0.000
LGA    C   151_A      C   151_A    23.112     0    0.454   0.441    26.473    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):     3.352          3.411                  3.667           78.019   71.710

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  159  131    4.0    122    1.46    83.397    89.286     7.829

LGA_LOCAL      RMSD:   1.458  Number of atoms:  122  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.476  Number of assigned atoms:  131 
Std_ASGN_ATOMS RMSD:   3.352  Standard rmsd on all 131 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.015387 * X  +   0.583832 * Y  +   0.811729 * Z  + -28.162960
  Y_new =  -0.547892 * X  +  -0.674174 * Y  +   0.495282 * Z  +  10.212594
  Z_new =   0.836407 * X  +  -0.452360 * Y  +   0.309504 * Z  +  -7.344123 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.542720 -0.990696 -0.970755   [DEG:  -88.3913  -56.7627  -55.6202 ]
ZXZ:  2.118651  1.256125  2.066578   [DEG:  121.3897   71.9707  118.4062 ]
 
# END of job
