
#######################################################
#                                                     #
#                        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  126 (  983),  selected  126 , name one
# Molecule2: number of CA atoms  126 (  983),  selected  126 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       1_B - 126_B       1.77     1.77
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       1_B - 126_B       1.77     1.77
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       0.83     1.80
  LCS_AVERAGE:     68.67

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
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     1_B     E     1_B    103  126  126     57  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     V     2_B     V     2_B    103  126  126     87  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     Q     3_B     Q     3_B    103  126  126     87  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     L     4_B     L     4_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     Q     5_B     Q     5_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     E     6_B     E     6_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     S     7_B     S     7_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     G     8_B     G     8_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     G     9_B     G     9_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     G    10_B     G    10_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     L    11_B     L    11_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     V    12_B     V    12_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     Q    13_B     Q    13_B    103  126  126     92  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     P    14_B     P    14_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     G    15_B     G    15_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     G    16_B     G    16_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     S    17_B     S    17_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     L    18_B     L    18_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     R    19_B     R    19_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     L    20_B     L    20_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     S    21_B     S    21_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     C    22_B     C    22_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     A    23_B     A    23_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     A    24_B     A    24_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     S    25_B     S    25_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     G    26_B     G    26_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     F    27_B     F    27_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     R    28_B     R    28_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     F    29_B     F    29_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     S    30_B     S    30_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     S    31_B     S    31_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     Y    32_B     Y    32_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     W    33_B     W    33_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     M    34_B     M    34_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     Y    35_B     Y    35_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     W    36_B     W    36_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     V    37_B     V    37_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     R    38_B     R    38_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     Q    39_B     Q    39_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     A    40_B     A    40_B    103  126  126     92  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     P    41_B     P    41_B    103  126  126     18  104  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     G    42_B     G    42_B    103  126  126     12  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     K    43_B     K    43_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     G    44_B     G    44_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     L    45_B     L    45_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     E    46_B     E    46_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     W    47_B     W    47_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     V    48_B     V    48_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     S    49_B     S    49_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     A    50_B     A    50_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     I    51_B     I    51_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     N    52_B     N    52_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     S    53_B     S    53_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     S    54_B     S    54_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     G    55_B     G    55_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     G    56_B     G    56_B    103  126  126      6   64  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     Y    57_B     Y    57_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     T    58_B     T    58_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     R    59_B     R    59_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     Y    60_B     Y    60_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     A    61_B     A    61_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     D    62_B     D    62_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     S    63_B     S    63_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     V    64_B     V    64_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     K    65_B     K    65_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     G    66_B     G    66_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     R    67_B     R    67_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     F    68_B     F    68_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     T    69_B     T    69_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     I    70_B     I    70_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     S    71_B     S    71_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     R    72_B     R    72_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     D    73_B     D    73_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     N    74_B     N    74_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     A    75_B     A    75_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     K    76_B     K    76_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     N    77_B     N    77_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     T    78_B     T    78_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     L    79_B     L    79_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     Y    80_B     Y    80_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     L    81_B     L    81_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     Q    82_B     Q    82_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     M    83_B     M    83_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     N    84_B     N    84_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     S    85_B     S    85_B    103  126  126     93  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     L    86_B     L    86_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     R    87_B     R    87_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     A    88_B     A    88_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     E    89_B     E    89_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     D    90_B     D    90_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     T    91_B     T    91_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     A    92_B     A    92_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     V    93_B     V    93_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     Y    94_B     Y    94_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     Y    95_B     Y    95_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     C    96_B     C    96_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     A    97_B     A    97_B    103  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     T    98_B     T    98_B    103  126  126     51  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     D    99_B     D    99_B    103  126  126      8   79  109  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     S   100_B     S   100_B    103  126  126     12   51   79  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     G   101_B     G   101_B    103  126  126      3   28   79  107  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     D   102_B     D   102_B    103  126  126      3    3   12  107  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     G   103_B     G   103_B    103  126  126      3    5   12   26  107  116  117  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     K   104_B     K   104_B      3  126  126      1    3   10   35   47  107  117  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     R   105_B     R   105_B      3  126  126      0    3    4    6   67   88  117  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     Y   106_B     Y   106_B      4  126  126      4    4    4    6    8   12   16   23   81  100  103  110  123  125  126  126  126  126  126  126 
LCS_GDT     W   107_B     W   107_B      4  126  126      4    4    4   22   26   34   54  107  120  122  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     S   108_B     S   108_B      4  126  126      4    5    5   36   67  112  117  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     G   109_B     G   109_B      4  126  126      4   24   33  105  112  114  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     E   110_B     E   110_B     16  126  126      3    5    5  104  114  115  117  120  121  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B     16  126  126      3    5   12   18   69  108  117  119  119  122  123  124  125  125  126  126  126  126  126  126 
LCS_GDT     F   112_B     F   112_B     16  126  126     10   51  103  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     Y   113_B     Y   113_B     16  126  126     12   71  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     16  126  126     52  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     S   115_B     S   115_B     16  126  126     95  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     R   116_B     R   116_B     16  126  126     95  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     G   117_B     G   117_B     16  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     Q   118_B     Q   118_B     16  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     G   119_B     G   119_B     16  126  126     95  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     T   120_B     T   120_B     16  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     L   121_B     L   121_B     16  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     V   122_B     V   122_B     16  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     T   123_B     T   123_B     16  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     V   124_B     V   124_B     16  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     S   125_B     S   125_B     16  126  126     96  108  110  112  114  116  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_GDT     S   126_B     S   126_B     15  126  126      2    3    4  107  113  115  118  120  122  123  124  124  125  125  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  89.56  (  68.67  100.00  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     96    108    110    112    114    116    118    120    122    123    124    124    125    125    126    126    126    126    126    126 
GDT PERCENT_AT  76.19  85.71  87.30  88.89  90.48  92.06  93.65  95.24  96.83  97.62  98.41  98.41  99.21  99.21 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.38   0.43   0.51   0.61   0.77   0.91   1.05   1.31   1.35   1.49   1.43   1.56   1.56   1.77   1.77   1.77   1.77   1.77   1.77
GDT RMS_ALL_AT   1.81   1.83   1.83   1.83   1.84   1.83   1.81   1.81   1.77   1.78   1.77   1.78   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77

# Checking swapping
#   possible swapping detected:  E     1_B      E     1_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  E    89_B      E    89_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  D   102_B      D   102_B
#   possible swapping detected:  Y   106_B      Y   106_B
#   possible swapping detected:  E   110_B      E   110_B
#   possible swapping detected:  Y   111_B      Y   111_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     1_B      E     1_B     1.177     0    0.160   0.768     2.651   81.786   73.386
LGA    V     2_B      V     2_B     0.929     0    0.097   0.268     1.151   90.476   87.891
LGA    Q     3_B      Q     3_B     0.838     0    0.096   0.347     1.045   92.857   88.519
LGA    L     4_B      L     4_B     0.329     0    0.084   0.371     1.078   97.619   95.298
LGA    Q     5_B      Q     5_B     0.337     0    0.024   1.027     4.212  100.000   76.561
LGA    E     6_B      E     6_B     0.319     0    0.081   0.134     0.399  100.000  100.000
LGA    S     7_B      S     7_B     0.441     0    0.046   0.144     0.560  100.000   96.825
LGA    G     8_B      G     8_B     0.358     0    0.038   0.038     0.550   97.619   97.619
LGA    G     9_B      G     9_B     0.225     0    0.065   0.065     0.353  100.000  100.000
LGA    G    10_B      G    10_B     0.253     0    0.054   0.054     0.253  100.000  100.000
LGA    L    11_B      L    11_B     0.220     0    0.048   0.455     1.021   97.619   92.917
LGA    V    12_B      V    12_B     0.368     0    0.055   0.150     0.761   97.619   95.918
LGA    Q    13_B      Q    13_B     0.605     0    0.068   0.180     2.202   97.619   83.915
LGA    P    14_B      P    14_B     0.206     0    0.033   0.077     0.449  100.000  100.000
LGA    G    15_B      G    15_B     0.438     0    0.116   0.116     0.443  100.000  100.000
LGA    G    16_B      G    16_B     0.391     0    0.072   0.072     0.400  100.000  100.000
LGA    S    17_B      S    17_B     0.139     0    0.060   0.136     0.454  100.000  100.000
LGA    L    18_B      L    18_B     0.167     0    0.030   0.129     0.385  100.000  100.000
LGA    R    19_B      R    19_B     0.199     0    0.100   0.319     1.342   97.619   95.714
LGA    L    20_B      L    20_B     0.280     0    0.023   1.222     2.584  100.000   89.048
LGA    S    21_B      S    21_B     0.134     0    0.052   0.716     2.311  100.000   94.127
LGA    C    22_B      C    22_B     0.161     0    0.039   0.085     0.400  100.000  100.000
LGA    A    23_B      A    23_B     0.404     0    0.046   0.052     0.509  100.000   98.095
LGA    A    24_B      A    24_B     0.168     0    0.087   0.123     0.680   97.619   98.095
LGA    S    25_B      S    25_B     0.274     0    0.030   0.109     0.518  100.000   98.413
LGA    G    26_B      G    26_B     0.382     0    0.066   0.066     0.382  100.000  100.000
LGA    F    27_B      F    27_B     0.275     0    0.019   0.194     0.509  100.000   99.134
LGA    R    28_B      R    28_B     0.266     0    0.059   1.200     6.228   97.619   65.541
LGA    F    29_B      F    29_B     0.276     0    0.021   0.083     0.304  100.000  100.000
LGA    S    30_B      S    30_B     0.198     0    0.030   0.038     0.320  100.000  100.000
LGA    S    31_B      S    31_B     0.156     0    0.078   0.098     0.565  100.000   98.413
LGA    Y    32_B      Y    32_B     0.246     0    0.023   0.211     1.881  100.000   87.778
LGA    W    33_B      W    33_B     0.225     0    0.047   0.376     2.962  100.000   84.830
LGA    M    34_B      M    34_B     0.191     0    0.078   0.865     2.958  100.000   94.643
LGA    Y    35_B      Y    35_B     0.421     0    0.038   0.381     2.229   97.619   85.595
LGA    W    36_B      W    36_B     0.114     0    0.059   0.135     0.490  100.000  100.000
LGA    V    37_B      V    37_B     0.193     0    0.058   0.089     0.306  100.000  100.000
LGA    R    38_B      R    38_B     0.273     0    0.031   0.148     0.460  100.000  100.000
LGA    Q    39_B      Q    39_B     0.475     0    0.039   0.121     0.904   95.238   94.709
LGA    A    40_B      A    40_B     0.786     0    0.026   0.039     0.796   90.476   90.476
LGA    P    41_B      P    41_B     1.487     0    0.036   0.309     2.067   81.429   77.823
LGA    G    42_B      G    42_B     1.138     0    0.068   0.068     1.310   88.333   88.333
LGA    K    43_B      K    43_B     0.396     0    0.058   0.807     4.372   95.238   82.222
LGA    G    44_B      G    44_B     0.443     0    0.051   0.051     0.443  100.000  100.000
LGA    L    45_B      L    45_B     0.100     0    0.020   0.421     1.387  100.000   96.488
LGA    E    46_B      E    46_B     0.289     0    0.058   0.779     2.314   97.619   85.979
LGA    W    47_B      W    47_B     0.301     0    0.055   0.065     0.335  100.000  100.000
LGA    V    48_B      V    48_B     0.262     0    0.014   0.036     0.376  100.000  100.000
LGA    S    49_B      S    49_B     0.270     0    0.033   0.468     1.537  100.000   95.476
LGA    A    50_B      A    50_B     0.180     0    0.047   0.087     0.494  100.000  100.000
LGA    I    51_B      I    51_B     0.192     0    0.031   0.095     0.406  100.000  100.000
LGA    N    52_B      N    52_B     0.268     0    0.033   0.138     1.062  100.000   95.298
LGA    S    53_B      S    53_B     0.483     0    0.048   0.354     1.542   97.619   92.302
LGA    S    54_B      S    54_B     0.476     0    0.169   0.165     1.186   92.976   92.143
LGA    G    55_B      G    55_B     0.431     0    0.759   0.759     2.716   86.905   86.905
LGA    G    56_B      G    56_B     1.767     0    0.076   0.076     1.791   79.405   79.405
LGA    Y    57_B      Y    57_B     0.454     0    0.103   1.377     8.530   97.619   59.048
LGA    T    58_B      T    58_B     0.347     0    0.030   0.133     0.540   97.619   98.639
LGA    R    59_B      R    59_B     0.293     0    0.037   1.420     7.224  100.000   69.784
LGA    Y    60_B      Y    60_B     0.208     0    0.075   0.268     0.973  100.000   96.825
LGA    A    61_B      A    61_B     0.217     0    0.021   0.040     0.331  100.000  100.000
LGA    D    62_B      D    62_B     0.390     0    0.064   0.233     1.422   97.619   94.107
LGA    S    63_B      S    63_B     0.177     0    0.104   0.124     0.691   97.619   96.825
LGA    V    64_B      V    64_B     0.195     0    0.029   0.157     0.452  100.000  100.000
LGA    K    65_B      K    65_B     0.287     0    0.032   0.739     2.901   97.619   88.148
LGA    G    66_B      G    66_B     0.525     0    0.023   0.023     0.525   97.619   97.619
LGA    R    67_B      R    67_B     0.416     0    0.065   0.138     0.713  100.000   94.805
LGA    F    68_B      F    68_B     0.110     0    0.054   0.109     0.326  100.000  100.000
LGA    T    69_B      T    69_B     0.203     0    0.081   0.113     0.558  100.000   98.639
LGA    I    70_B      I    70_B     0.223     0    0.011   0.115     0.540  100.000   98.810
LGA    S    71_B      S    71_B     0.312     0    0.035   0.152     0.557  100.000   98.413
LGA    R    72_B      R    72_B     0.341     0    0.009   0.075     0.446  100.000  100.000
LGA    D    73_B      D    73_B     0.233     0    0.062   0.229     0.920  100.000   98.810
LGA    N    74_B      N    74_B     0.170     0    0.066   0.902     2.015   97.619   91.012
LGA    A    75_B      A    75_B     0.426     0    0.014   0.017     0.671  100.000   98.095
LGA    K    76_B      K    76_B     0.387     0    0.070   0.335     1.963   97.619   93.862
LGA    N    77_B      N    77_B     0.446     0    0.035   0.533     1.995   97.619   91.845
LGA    T    78_B      T    78_B     0.366     0    0.045   0.103     0.440  100.000  100.000
LGA    L    79_B      L    79_B     0.271     0    0.032   0.062     0.387  100.000  100.000
LGA    Y    80_B      Y    80_B     0.224     0    0.071   0.241     0.779  100.000   96.825
LGA    L    81_B      L    81_B     0.038     0    0.006   0.248     0.598  100.000   97.619
LGA    Q    82_B      Q    82_B     0.172     0    0.046   0.094     0.352  100.000  100.000
LGA    M    83_B      M    83_B     0.270     0    0.017   0.639     1.622  100.000   94.226
LGA    N    84_B      N    84_B     0.204     0    0.070   0.266     0.551  100.000   97.619
LGA    S    85_B      S    85_B     0.635     0    0.093   0.111     0.926   90.476   92.063
LGA    L    86_B      L    86_B     0.384     0    0.089   0.101     0.729   97.619   98.810
LGA    R    87_B      R    87_B     0.185     0    0.022   0.954     3.674  100.000   87.359
LGA    A    88_B      A    88_B     0.390     0    0.055   0.055     0.511   97.619   98.095
LGA    E    89_B      E    89_B     0.357     0    0.019   0.747     2.016  100.000   90.899
LGA    D    90_B      D    90_B     0.168     0    0.036   0.061     0.297  100.000  100.000
LGA    T    91_B      T    91_B     0.158     0    0.101   0.110     0.360  100.000  100.000
LGA    A    92_B      A    92_B     0.210     0    0.044   0.062     0.397  100.000  100.000
LGA    V    93_B      V    93_B     0.398     0    0.031   0.224     0.990  100.000   98.639
LGA    Y    94_B      Y    94_B     0.332     0    0.112   0.143     0.656  100.000   97.619
LGA    Y    95_B      Y    95_B     0.411     0    0.063   0.194     0.914   97.619   95.238
LGA    C    96_B      C    96_B     0.439     0    0.037   0.188     0.740  100.000   96.825
LGA    A    97_B      A    97_B     0.343     0    0.121   0.159     0.454  100.000  100.000
LGA    T    98_B      T    98_B     1.121     0    0.040   0.060     1.295   83.690   84.014
LGA    D    99_B      D    99_B     1.936     0    0.551   1.118     5.427   73.333   55.655
LGA    S   100_B      S   100_B     2.474     0    0.209   0.525     3.765   57.738   52.937
LGA    G   101_B      G   101_B     3.607     0    0.464   0.464     6.519   35.952   35.952
LGA    D   102_B      D   102_B     3.307     0    0.243   1.055     5.166   42.619   45.000
LGA    G   103_B      G   103_B     4.391     0    0.646   0.646     4.817   35.833   35.833
LGA    K   104_B      K   104_B     6.534     0    0.561   0.829     7.840   15.476   11.852
LGA    R   105_B      R   105_B     5.712     0    0.311   1.131    10.799   12.619   10.000
LGA    Y   106_B      Y   106_B     9.954     0    0.634   1.200    15.653    2.619    0.873
LGA    W   107_B      W   107_B     7.567     0    0.052   1.406     8.734    9.167   15.850
LGA    S   108_B      S   108_B     4.867     0    0.193   0.602     5.740   33.333   37.937
LGA    G   109_B      G   109_B     3.834     0    0.080   0.080     4.525   55.119   55.119
LGA    E   110_B      E   110_B     3.599     0    0.192   0.357     8.844   41.667   23.915
LGA    Y   111_B      Y   111_B     5.159     0    0.591   1.231    12.696   35.952   13.254
LGA    F   112_B      F   112_B     2.669     0    0.081   0.152     3.379   55.357   57.273
LGA    Y   113_B      Y   113_B     2.159     0    0.082   0.173     2.950   66.786   64.246
LGA    R   114_B      R   114_B     1.121     0    0.054   1.576     8.963   83.690   54.286
LGA    S   115_B      S   115_B     0.629     0    0.055   0.661     2.048   92.857   87.778
LGA    R   116_B      R   116_B     0.583     0    0.097   1.151     4.998   92.857   77.359
LGA    G   117_B      G   117_B     0.487     0    0.026   0.026     0.650   95.238   95.238
LGA    Q   118_B      Q   118_B     0.486     0    0.063   1.420     6.768   92.857   63.175
LGA    G   119_B      G   119_B     0.574     0    0.044   0.044     0.609   95.238   95.238
LGA    T   120_B      T   120_B     0.387     0    0.009   0.087     0.578  100.000   97.279
LGA    L   121_B      L   121_B     0.334     0    0.019   0.212     0.586  100.000   98.810
LGA    V   122_B      V   122_B     0.256     0    0.017   0.116     0.446  100.000  100.000
LGA    T   123_B      T   123_B     0.329     0    0.084   0.500     1.226  100.000   94.694
LGA    V   124_B      V   124_B     0.276     0    0.020   0.101     0.549  100.000   98.639
LGA    S   125_B      S   125_B     0.515     0    0.035   0.741     3.217   78.333   79.444
LGA    S   126_B      S   126_B     3.816     0    0.122   0.746     8.161   50.357   36.587

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00     983    983  100.00               126
SUMMARY(RMSD_GDC):     1.770          1.794                  2.664           90.076   85.883

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  126    4.0    120    1.05    92.460    94.998    10.476

LGA_LOCAL      RMSD:   1.045  Number of atoms:  120  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.811  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   1.770  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.806168 * X  +   0.373230 * Y  +  -0.459121 * Z  + -11.830808
  Y_new =  -0.502134 * X  +   0.842003 * Y  +  -0.197211 * Z  +  -5.112610
  Z_new =   0.312976 * X  +   0.389526 * Y  +   0.866207 * Z  + -63.486710 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.557063 -0.318325  0.422597   [DEG:  -31.9174  -18.2387   24.2130 ]
ZXZ: -1.165086  0.523235  0.676859   [DEG:  -66.7545   29.9791   38.7812 ]
 
# END of job
