
#######################################################
#                                                     #
#                        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       2.32     2.32
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       4_A - 148_A       1.92     2.33
  LONGEST_CONTINUOUS_SEGMENT:   128       5_A - 149_A       1.98     2.33
  LCS_AVERAGE:     96.66

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38       5_A - 42_A        0.99     2.45
  LCS_AVERAGE:     24.51

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  128  131      3    9   37   53   72  107  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     K     5_A     K     5_A     38  128  131      3   71   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     T     6_A     T     6_A     38  128  131     29   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     V     7_A     V     7_A     38  128  131     17   70   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     Y     8_A     Y     8_A     38  128  131     36   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     G     9_A     G     9_A     38  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     L    10_A     L    10_A     38  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     N    11_A     N    11_A     38  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     E    12_A     E    12_A     38  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     Y    13_A     Y    13_A     38  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     A    14_A     A    14_A     38  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     A    15_A     A    15_A     38  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     L    16_A     L    16_A     38  128  131     35   75   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     D    17_A     D    17_A     38  128  131     24   68   96  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     G    18_A     G    18_A     38  128  131      3   12   59  107  114  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     I    19_A     I    19_A     38  128  131     30   70   98  110  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     N    20_A     N    20_A     38  128  131      4   51   96  110  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     L    21_A     L    21_A     38  128  131      5   51   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     E    22_A     E    22_A     38  128  131     16   48   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     V    23_A     V    23_A     38  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     A    24_A     A    24_A     38  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     A    25_A     A    25_A     38  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     K    26_A     K    26_A     38  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     L    27_A     L    27_A     38  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     D    28_A     D    28_A     38  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     T    29_A     T    29_A     38  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     G    30_A     G    30_A     38  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     A    31_A     A    31_A     38  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     K    32_A     K    32_A     38  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     T    33_A     T    33_A     38  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     A    34_A     A    34_A     38  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     S    35_A     S    35_A     38  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     L    36_A     L    36_A     38  128  131     37   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     S    37_A     S    37_A     38  128  131     30   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     A    38_A     A    38_A     38  128  131     30   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     R    39_A     R    39_A     38  128  131      7   53   96  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     D    40_A     D    40_A     38  128  131     13   71   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     I    41_A     I    41_A     38  128  131     11   71   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     K    42_A     K    42_A     38  128  131     13   66   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     R    43_A     R    43_A     36  128  131      9   56   91  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     F    44_A     F    44_A     36  128  131      9   26   86  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     K    45_A     K    45_A     36  128  131      9   42   86  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     R    46_A     R    46_A     36  128  131      6   36   84  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     N    47_A     N    47_A     36  128  131     12   50   87  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     G    48_A     G    48_A     36  128  131     13   50   87  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     E    49_A     E    49_A     36  128  131     13   43   86  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     S    50_A     S    50_A     36  128  131     13   56   92  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     W    51_A     W    51_A     36  128  131     12   63   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     V    52_A     V    52_A     36  128  131     27   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     R    53_A     R    53_A     36  128  131     27   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     F    54_A     F    54_A     36  128  131     26   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     Y    55_A     Y    55_A     36  128  131     30   70   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     L    56_A     L    56_A     36  128  131     30   71   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     A    57_A     A    57_A     36  128  131      3    8   28   51  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     I    58_A     I    58_A     36  128  131      3   61   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     D    59_A     D    59_A      5  128  131      3    4   13   42   55   74   88  114  124  126  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     A    60_A     A    60_A      5  128  131      3    4    5    5    7   71   75  102  120  126  127  129  130  130  130  130  130  131  131  131 
LCS_GDT     A    61_A     A    61_A      5  128  131      3    4    5   18   27   71  112  123  124  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     H    62_A     H    62_A      5  128  131      3   18   33   59   79  103  116  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     S    63_A     S    63_A      5  128  131      4    6   17   29   53   87  118  122  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     H    64_A     H    64_A     37  128  131      7   20   83  101  115  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     P    65_A     P    65_A     37  128  131      9   72   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     I    66_A     I    66_A     37  128  131     34   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     E    67_A     E    67_A     37  128  131     11   74   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     R    68_A     R    68_A     37  128  131     11   61   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     P    69_A     P    69_A     37  128  131      6   23   85  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     L    70_A     L    70_A     37  128  131     30   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     A    71_A     A    71_A     37  128  131     25   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     R    72_A     R    72_A     37  128  131     25   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     V    73_A     V    73_A     37  128  131     24   73   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     S    74_A     S    74_A     37  128  131     24   73   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     K    75_A     K    75_A     37  128  131      7   46   94  107  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     A    93_A     A    93_A     37  128  131     25   73   98  110  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     R    94_A     R    94_A     37  128  131     32   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     P    95_A     P    95_A     37  128  131     25   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     V    96_A     V    96_A     37  128  131     35   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     I    97_A     I    97_A     37  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     E    98_A     E    98_A     37  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     L    99_A     L    99_A     37  128  131     37   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     D   100_A     D   100_A     37  128  131     30   72   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     I   101_A     I   101_A     37  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     C   102_A     C   102_A     37  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     M   103_A     M   103_A     37  128  131     36   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     G   104_A     G   104_A     37  128  131     36   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     S   105_A     S   105_A     37  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     A   106_A     A   106_A     37  128  131     23   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     M   107_A     M   107_A     37  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     R   108_A     R   108_A     37  128  131     30   75   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     S   109_A     S   109_A     37  128  131     30   71   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     I   110_A     I   110_A     37  128  131     30   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     E   111_A     E   111_A     37  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     V   112_A     V   112_A     37  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     N   113_A     N   113_A     37  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     L   114_A     L   114_A     37  128  131     35   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     T   115_A     T   115_A     37  128  131     35   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     D   116_A     D   116_A     37  128  131     12   70   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     R   117_A     R   117_A     37  128  131      3   27   94  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     S   118_A     S   118_A     37  128  131     19   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     A   119_A     A   119_A      3  128  131      3    3    3    8   25   87  118  122  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     F   120_A     F   120_A      3  128  131      6   17   29   75  115  118  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     Q   121_A     Q   121_A     27  128  131      7   20   69   94  110  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     Y   122_A     Y   122_A     27  128  131     33   73   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     P   123_A     P   123_A     27  128  131     37   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     L   124_A     L   124_A     27  128  131     39   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     L   125_A     L   125_A     27  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     I   126_A     I   126_A     27  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     G   127_A     G   127_A     27  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     S   128_A     S   128_A     27  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     E   129_A     E   129_A     27  128  131     40   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     A   130_A     A   130_A     27  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     L   131_A     L   131_A     27  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     K   132_A     K   132_A     27  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     R   133_A     R   133_A     27  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     F   134_A     F   134_A     27  128  131     39   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     D   135_A     D   135_A     27  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     A   136_A     A   136_A     27  128  131     27   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     L   137_A     L   137_A     27  128  131     15   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     V   138_A     V   138_A     27  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     D   139_A     D   139_A     27  128  131     36   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     P   140_A     P   140_A     27  128  131     29   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     S   141_A     S   141_A     27  128  131     33   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     L   142_A     L   142_A     27  128  131     37   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     K   143_A     K   143_A     27  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     Y   144_A     Y   144_A     27  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     A   145_A     A   145_A     27  128  131     42   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     A   146_A     A   146_A     27  128  131     28   76   98  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     G   147_A     G   147_A     27  128  131      7   40   82  111  116  119  120  123  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     K   148_A     K   148_A      6  128  131      3    5    7   11   32   58   87  111  124  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     P   149_A     P   149_A      6  128  131      3    4    7    7    8   15   33   52   73   89  123  129  130  130  130  130  130  131  131  131 
LCS_GDT     A   150_A     A   150_A      3   72  131      3    3   21   42   50   86  110  122  125  127  128  129  130  130  130  130  130  131  131  131 
LCS_GDT     C   151_A     C   151_A      3    4  131      3    3    3   12   17   20   26   31   41   49   85   92  100  106  130  130  130  131  131  131 
LCS_AVERAGE  LCS_A:  73.73  (  24.51   96.66  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     42     76     98    111    116    119    120    123    125    127    128    129    130    130    130    130    130    131    131    131 
GDT PERCENT_AT  32.06  58.02  74.81  84.73  88.55  90.84  91.60  93.89  95.42  96.95  97.71  98.47  99.24  99.24  99.24  99.24  99.24 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.62   0.84   1.12   1.18   1.26   1.30   1.53   1.68   1.80   1.88   1.98   2.08   2.08   2.08   2.08   2.08   2.32   2.32   2.32
GDT RMS_ALL_AT   2.48   2.44   2.44   2.39   2.40   2.39   2.38   2.37   2.34   2.33   2.32   2.33   2.32   2.32   2.32   2.32   2.32   2.32   2.32   2.32

# Checking swapping
#   possible swapping detected:  E    22_A      E    22_A
#   possible swapping detected:  D    59_A      D    59_A
#   possible swapping detected:  E   111_A      E   111_A
#   possible swapping detected:  F   120_A      F   120_A
#   possible swapping detected:  E   129_A      E   129_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     4_A      E     4_A     5.201     4    0.567   0.558     6.983   33.452   16.349
LGA    K     5_A      K     5_A     1.393     0    0.526   0.728     9.036   79.286   47.354
LGA    T     6_A      T     6_A     0.390     0    0.022   0.080     1.116   90.595   91.905
LGA    V     7_A      V     7_A     0.976     0    0.054   0.067     2.068   86.071   79.252
LGA    Y     8_A      Y     8_A     0.448     0    0.029   0.093     0.855   97.619   96.032
LGA    G     9_A      G     9_A     0.368     0    0.042   0.042     0.665   95.238   95.238
LGA    L    10_A      L    10_A     0.731     0    0.058   1.326     4.445   97.619   80.833
LGA    N    11_A      N    11_A     0.209     0    0.040   1.066     2.503  100.000   91.250
LGA    E    12_A      E    12_A     0.305     0    0.043   0.082     0.519  100.000   98.942
LGA    Y    13_A      Y    13_A     0.400     0    0.010   0.117     1.506  100.000   89.167
LGA    A    14_A      A    14_A     0.324     0    0.045   0.062     0.351  100.000  100.000
LGA    A    15_A      A    15_A     0.393     0    0.013   0.014     0.420  100.000  100.000
LGA    L    16_A      L    16_A     0.936     0    0.106   0.206     1.877   85.952   82.619
LGA    D    17_A      D    17_A     1.674     0    0.644   0.845     4.451   73.214   61.250
LGA    G    18_A      G    18_A     2.581     0    0.028   0.028     2.635   60.952   60.952
LGA    I    19_A      I    19_A     1.775     0    0.585   0.821     3.620   65.476   63.333
LGA    N    20_A      N    20_A     1.781     0    0.133   0.944     5.384   70.833   57.143
LGA    L    21_A      L    21_A     1.532     0    0.119   1.398     4.217   77.143   69.583
LGA    E    22_A      E    22_A     1.539     0    0.031   0.287     5.705   79.405   56.667
LGA    V    23_A      V    23_A     0.718     0    0.072   1.078     2.442   92.857   83.197
LGA    A    24_A      A    24_A     0.875     0    0.020   0.031     1.103   88.214   86.857
LGA    A    25_A      A    25_A     0.424     0    0.012   0.019     0.524   97.619   96.190
LGA    K    26_A      K    26_A     0.436     0    0.056   0.577     1.509   95.238   90.688
LGA    L    27_A      L    27_A     0.642     0    0.043   0.075     0.752   90.476   90.476
LGA    D    28_A      D    28_A     0.403     0    0.068   0.204     0.813   97.619   97.619
LGA    T    29_A      T    29_A     0.122     0    0.019   0.067     0.234  100.000  100.000
LGA    G    30_A      G    30_A     0.271     0    0.021   0.021     0.338  100.000  100.000
LGA    A    31_A      A    31_A     0.217     0    0.015   0.014     0.269  100.000  100.000
LGA    K    32_A      K    32_A     0.474     0    0.038   0.676     3.108   95.238   76.190
LGA    T    33_A      T    33_A     0.668     0    0.012   0.037     1.278   90.476   86.599
LGA    A    34_A      A    34_A     0.566     0    0.037   0.055     0.614   95.238   94.286
LGA    S    35_A      S    35_A     0.480     0    0.023   0.671     2.190   92.857   89.365
LGA    L    36_A      L    36_A     0.915     0    0.022   0.056     1.288   90.476   89.345
LGA    S    37_A      S    37_A     1.104     0    0.022   0.080     1.639   85.952   81.587
LGA    A    38_A      A    38_A     0.876     0    0.044   0.066     1.769   83.810   87.048
LGA    R    39_A      R    39_A     1.773     0    0.103   0.781     6.824   79.286   47.792
LGA    D    40_A      D    40_A     1.411     0    0.062   0.105     1.591   79.286   80.357
LGA    I    41_A      I    41_A     1.371     0    0.034   0.073     1.708   77.143   80.417
LGA    K    42_A      K    42_A     1.492     4    0.088   0.100     1.492   81.429   45.238
LGA    R    43_A      R    43_A     1.948     0    0.044   0.702     2.558   66.905   67.965
LGA    F    44_A      F    44_A     2.528     0    0.088   1.230     4.780   62.857   59.524
LGA    K    45_A      K    45_A     2.614     0    0.014   0.873     4.373   57.143   55.767
LGA    R    46_A      R    46_A     2.743     0    0.044   0.966     2.789   57.143   66.667
LGA    N    47_A      N    47_A     2.519     0    0.039   0.481     3.154   60.952   59.107
LGA    G    48_A      G    48_A     2.461     0    0.034   0.034     2.591   62.857   62.857
LGA    E    49_A      E    49_A     2.325     0    0.040   0.834     5.201   64.762   54.180
LGA    S    50_A      S    50_A     1.707     0    0.027   0.081     1.911   77.143   75.714
LGA    W    51_A      W    51_A     1.175     0    0.039   0.271     2.603   83.690   75.510
LGA    V    52_A      V    52_A     0.558     0    0.067   0.957     2.517   90.476   83.401
LGA    R    53_A      R    53_A     0.546     0    0.014   1.254     5.306   90.476   74.372
LGA    F    54_A      F    54_A     0.821     0    0.009   0.218     0.892   90.476   90.476
LGA    Y    55_A      Y    55_A     1.458     0    0.116   0.348     2.008   81.429   79.405
LGA    L    56_A      L    56_A     1.336     0    0.124   1.175     4.070   81.429   70.774
LGA    A    57_A      A    57_A     2.698     0    0.642   0.589     4.178   71.190   64.381
LGA    I    58_A      I    58_A     1.472     0    0.685   0.625     2.873   69.048   75.655
LGA    D    59_A      D    59_A     6.661     0    0.540   1.458    12.093   14.405    7.381
LGA    A    60_A      A    60_A     7.333     0    0.101   0.110     8.296   12.976   11.333
LGA    A    61_A      A    61_A     5.089     0    0.045   0.059     5.330   31.667   30.571
LGA    H    62_A      H    62_A     5.326     0    0.532   0.993     7.625   21.548   21.571
LGA    S    63_A      S    63_A     5.475     0    0.639   0.918     6.933   31.548   25.476
LGA    H    64_A      H    64_A     3.130     0    0.246   0.415     3.835   51.905   54.333
LGA    P    65_A      P    65_A     1.582     0    0.038   0.347     2.037   72.976   72.993
LGA    I    66_A      I    66_A     0.266     0    0.172   1.184     2.662   97.619   83.690
LGA    E    67_A      E    67_A     0.915     0    0.106   0.284     1.468   85.952   87.460
LGA    R    68_A      R    68_A     1.251     0    0.022   0.890     3.127   81.429   73.290
LGA    P    69_A      P    69_A     1.806     0    0.062   0.323     2.505   77.143   71.905
LGA    L    70_A      L    70_A     0.593     0    0.107   0.357     1.345   85.952   87.143
LGA    A    71_A      A    71_A     1.113     0    0.179   0.185     1.643   79.286   81.524
LGA    R    72_A      R    72_A     1.280     0    0.031   0.170     1.937   81.429   79.870
LGA    V    73_A      V    73_A     1.563     0    0.148   1.106     4.179   75.000   71.497
LGA    S    74_A      S    74_A     1.604     0    0.112   0.186     3.023   65.119   67.698
LGA    K    75_A      K    75_A     2.402     4    0.180   0.241     2.897   62.976   35.185
LGA    A    93_A      A    93_A     1.735     0    0.476   0.513     3.239   67.143   68.286
LGA    R    94_A      R    94_A     0.859     4    0.030   0.586     2.817   85.952   52.900
LGA    P    95_A      P    95_A     1.029     0    0.021   0.338     1.197   88.214   87.891
LGA    V    96_A      V    96_A     0.595     0    0.021   0.057     0.791   90.476   93.197
LGA    I    97_A      I    97_A     0.969     0    0.028   0.512     1.195   90.476   87.083
LGA    E    98_A      E    98_A     1.020     0    0.036   0.537     4.022   83.690   71.164
LGA    L    99_A      L    99_A     1.112     0    0.030   1.354     4.262   85.952   77.083
LGA    D   100_A      D   100_A     1.610     0    0.088   0.842     3.492   75.000   66.131
LGA    I   101_A      I   101_A     0.765     0    0.049   0.681     1.998   88.214   88.333
LGA    C   102_A      C   102_A     0.510     0    0.030   0.200     0.848   95.238   95.238
LGA    M   103_A      M   103_A     0.744     0    0.034   0.235     2.179   90.476   83.929
LGA    G   104_A      G   104_A     0.967     0    0.033   0.033     0.967   90.476   90.476
LGA    S   105_A      S   105_A     0.986     0    0.026   0.077     1.180   83.690   82.937
LGA    A   106_A      A   106_A     1.253     0    0.029   0.026     1.362   83.690   83.238
LGA    M   107_A      M   107_A     1.015     0    0.078   1.069     3.558   83.690   71.786
LGA    R   108_A      R   108_A     1.371     0    0.051   0.178     1.841   81.429   78.312
LGA    S   109_A      S   109_A     1.590     0    0.071   0.111     2.359   77.143   73.016
LGA    I   110_A      I   110_A     1.035     0    0.029   0.633     1.441   85.952   85.952
LGA    E   111_A      E   111_A     0.764     0    0.051   0.694     1.866   90.476   85.503
LGA    V   112_A      V   112_A     0.486     0    0.010   0.033     0.674   92.857   91.837
LGA    N   113_A      N   113_A     0.505     0    0.013   0.304     1.667   97.619   91.845
LGA    L   114_A      L   114_A     0.693     0    0.044   0.076     0.889   90.476   90.476
LGA    T   115_A      T   115_A     0.674     0    0.016   1.053     2.120   88.214   82.993
LGA    D   116_A      D   116_A     1.494     0    0.230   0.549     2.084   83.690   79.405
LGA    R   117_A      R   117_A     1.745     0    0.163   1.584    11.719   75.000   37.316
LGA    S   118_A      S   118_A     0.966     0    0.638   0.576     4.866   75.476   63.889
LGA    A   119_A      A   119_A     5.527     0    0.621   0.558     8.092   26.071   21.810
LGA    F   120_A      F   120_A     3.747     0    0.568   1.381     8.122   58.095   30.693
LGA    Q   121_A      Q   121_A     3.010     0    0.606   0.885     9.577   53.571   31.376
LGA    Y   122_A      Y   122_A     1.304     0    0.029   0.370     1.726   79.286   84.484
LGA    P   123_A      P   123_A     0.854     0    0.075   0.330     0.987   90.476   90.476
LGA    L   124_A      L   124_A     0.702     0    0.060   0.117     1.178   90.476   89.345
LGA    L   125_A      L   125_A     0.485     0    0.057   0.117     0.843   95.238   96.429
LGA    I   126_A      I   126_A     0.548     0    0.020   0.617     2.400   90.476   87.262
LGA    G   127_A      G   127_A     0.443     0    0.025   0.025     0.528   97.619   97.619
LGA    S   128_A      S   128_A     0.693     0    0.027   0.158     0.955   90.476   90.476
LGA    E   129_A      E   129_A     1.015     0    0.042   0.863     5.223   88.214   67.989
LGA    A   130_A      A   130_A     0.716     0    0.028   0.045     0.791   90.476   90.476
LGA    L   131_A      L   131_A     0.449     0    0.057   0.074     0.709   92.857   96.429
LGA    K   132_A      K   132_A     0.685     0    0.036   0.743     2.230   90.476   84.762
LGA    R   133_A      R   133_A     0.832     0    0.027   0.823     3.584   90.476   84.632
LGA    F   134_A      F   134_A     0.739     0    0.056   0.262     1.320   92.857   89.697
LGA    D   135_A      D   135_A     0.651     0    0.048   0.117     0.937   90.476   90.476
LGA    A   136_A      A   136_A     0.668     0    0.103   0.185     0.954   90.476   90.476
LGA    L   137_A      L   137_A     1.014     0    0.141   0.191     2.495   85.952   77.440
LGA    V   138_A      V   138_A     0.284     0    0.029   0.067     0.713   97.619   94.558
LGA    D   139_A      D   139_A     0.385     0    0.030   0.151     0.958  100.000   95.238
LGA    P   140_A      P   140_A     0.700     0    0.038   0.094     1.187   90.476   87.891
LGA    S   141_A      S   141_A     0.318     0    0.106   0.150     0.634   97.619   98.413
LGA    L   142_A      L   142_A     0.097     0    0.019   0.121     0.799  100.000   97.619
LGA    K   143_A      K   143_A     0.620     0    0.085   0.692     2.035   92.857   88.677
LGA    Y   144_A      Y   144_A     0.804     0    0.027   0.216     1.424   90.476   85.198
LGA    A   145_A      A   145_A     1.037     0    0.014   0.017     1.315   88.214   86.857
LGA    A   146_A      A   146_A     1.064     0    0.085   0.103     1.591   81.548   79.810
LGA    G   147_A      G   147_A     2.138     0    0.122   0.122     3.410   61.548   61.548
LGA    K   148_A      K   148_A     5.934     4    0.671   0.644     7.227   20.833   10.370
LGA    P   149_A      P   149_A     7.799     0    0.664   0.593    10.673   15.119    9.252
LGA    A   150_A      A   150_A     6.096     0    0.343   0.319     8.830   10.476   11.810
LGA    C   151_A      C   151_A    12.384     0    0.310   0.845    14.948    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):     2.315          2.312                  2.758           79.042   73.890

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  159  131    4.0    123    1.53    83.969    90.202     7.546

LGA_LOCAL      RMSD:   1.530  Number of atoms:  123  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.366  Number of assigned atoms:  131 
Std_ASGN_ATOMS RMSD:   2.315  Standard rmsd on all 131 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.238530 * X  +   0.798369 * Y  +   0.552911 * Z  + -21.926481
  Y_new =  -0.633088 * X  +  -0.559570 * Y  +   0.534866 * Z  +  10.898184
  Z_new =   0.736412 * X  +  -0.222460 * Y  +   0.638912 * Z  +  -7.841719 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.931120 -0.827752 -0.335057   [DEG: -110.6450  -47.4267  -19.1974 ]
ZXZ:  2.339607  0.877713  1.864166   [DEG:  134.0496   50.2893  106.8088 ]
 
# END of job
