
#######################################################
#                                                     #
#                        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       2.88     2.88
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       1.80     2.91
  LCS_AVERAGE:     69.11

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       1_B - 101_B       0.79     3.03
  LCS_AVERAGE:     65.97

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    101  103  126     11   58  111  113  114  115  116  117  118  119  119  119  120  121  121  123  124  124  125  126 
LCS_GDT     V     2_B     V     2_B    101  103  126     23  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     Q     3_B     Q     3_B    101  103  126     93  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     L     4_B     L     4_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     Q     5_B     Q     5_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     E     6_B     E     6_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     S     7_B     S     7_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     G     8_B     G     8_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     G     9_B     G     9_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     G    10_B     G    10_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     L    11_B     L    11_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     V    12_B     V    12_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     Q    13_B     Q    13_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     P    14_B     P    14_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     G    15_B     G    15_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     G    16_B     G    16_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     S    17_B     S    17_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     L    18_B     L    18_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     R    19_B     R    19_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     L    20_B     L    20_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     S    21_B     S    21_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     C    22_B     C    22_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     A    23_B     A    23_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     A    24_B     A    24_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     S    25_B     S    25_B    101  103  126     93  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     G    26_B     G    26_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     F    27_B     F    27_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     R    28_B     R    28_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     F    29_B     F    29_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     S    30_B     S    30_B    101  103  126     94  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     S    31_B     S    31_B    101  103  126     84  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     Y    32_B     Y    32_B    101  103  126     93  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     W    33_B     W    33_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     M    34_B     M    34_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     Y    35_B     Y    35_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     W    36_B     W    36_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     V    37_B     V    37_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     R    38_B     R    38_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     Q    39_B     Q    39_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     A    40_B     A    40_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     P    41_B     P    41_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     G    42_B     G    42_B    101  103  126     94  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     K    43_B     K    43_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     G    44_B     G    44_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     L    45_B     L    45_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     E    46_B     E    46_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     W    47_B     W    47_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     V    48_B     V    48_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     S    49_B     S    49_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     A    50_B     A    50_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     I    51_B     I    51_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     N    52_B     N    52_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     S    53_B     S    53_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     S    54_B     S    54_B    101  103  126     94  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     G    55_B     G    55_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     G    56_B     G    56_B    101  103  126      7   33  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     Y    57_B     Y    57_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     T    58_B     T    58_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     R    59_B     R    59_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     Y    60_B     Y    60_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     A    61_B     A    61_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     D    62_B     D    62_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     S    63_B     S    63_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     V    64_B     V    64_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     K    65_B     K    65_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     G    66_B     G    66_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     R    67_B     R    67_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     F    68_B     F    68_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     T    69_B     T    69_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     I    70_B     I    70_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     S    71_B     S    71_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     R    72_B     R    72_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     D    73_B     D    73_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     N    74_B     N    74_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     A    75_B     A    75_B    101  103  126     88  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     K    76_B     K    76_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     N    77_B     N    77_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     T    78_B     T    78_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     L    79_B     L    79_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     Y    80_B     Y    80_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     L    81_B     L    81_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     Q    82_B     Q    82_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     M    83_B     M    83_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     N    84_B     N    84_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     S    85_B     S    85_B    101  103  126     94  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     L    86_B     L    86_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     R    87_B     R    87_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     A    88_B     A    88_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     E    89_B     E    89_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     D    90_B     D    90_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     T    91_B     T    91_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     A    92_B     A    92_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     V    93_B     V    93_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     Y    94_B     Y    94_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     Y    95_B     Y    95_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     C    96_B     C    96_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     A    97_B     A    97_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     T    98_B     T    98_B    101  103  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     D    99_B     D    99_B    101  103  126      4   96  109  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     S   100_B     S   100_B    101  103  126      3   13   32   68   86  113  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     G   101_B     G   101_B    101  103  126      5   22   53   98  110  114  115  117  117  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     D   102_B     D   102_B      4  103  126      2    4    8    9   33   67   91  108  113  116  118  119  120  121  122  123  124  124  125  126 
LCS_GDT     G   103_B     G   103_B      4  103  126      3    4    5    7   10   11   15   16   28   36   42   81  116  120  122  123  124  124  125  126 
LCS_GDT     K   104_B     K   104_B      4    8  126      3    4    4    6    8   14   16   25   32   44   65   97  116  120  122  123  124  124  125  126 
LCS_GDT     R   105_B     R   105_B      4    8  126      3    4    4   10   31   51   74   96  109  115  117  119  120  121  122  123  124  124  125  126 
LCS_GDT     Y   106_B     Y   106_B      5    8  126      3    4    4    5    8   14   17   27   38   72  104  113  118  120  122  123  124  124  125  126 
LCS_GDT     W   107_B     W   107_B      5    8  126      3    4    4    9   31   51   74   98  109  115  118  119  120  121  122  123  124  124  125  126 
LCS_GDT     S   108_B     S   108_B      5    7  126      3    4    4    5    8   10   11   16   92  105  118  119  120  121  122  123  124  124  125  126 
LCS_GDT     G   109_B     G   109_B      5   18  126      3   20   71  112  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     E   110_B     E   110_B      5   18  126      3    4    9   15   28   60   95  115  118  119  119  119  119  120  120  121  124  124  125  126 
LCS_GDT     Y   111_B     Y   111_B      7   18  126      3    5   11   17   26   96  114  116  118  119  119  119  119  120  120  121  124  124  125  126 
LCS_GDT     F   112_B     F   112_B     15   18  126      3   30   87  113  114  115  116  117  118  119  119  119  120  121  121  121  124  124  125  126 
LCS_GDT     Y   113_B     Y   113_B     15   18  126     54  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     R   114_B     R   114_B     15   18  126      3   90  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     S   115_B     S   115_B     15   18  126     27  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     R   116_B     R   116_B     15   18  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     G   117_B     G   117_B     15   18  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     Q   118_B     Q   118_B     15   18  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     G   119_B     G   119_B     15   18  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     T   120_B     T   120_B     15   18  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     L   121_B     L   121_B     15   18  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     V   122_B     V   122_B     15   18  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     T   123_B     T   123_B     15   18  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     V   124_B     V   124_B     15   18  126     95  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     S   125_B     S   125_B     15   18  126     94  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_GDT     S   126_B     S   126_B     15   18  126     84  109  111  113  114  115  116  117  118  119  119  119  120  121  122  123  124  124  125  126 
LCS_AVERAGE  LCS_A:  78.36  (  65.97   69.11  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     95    109    111    113    114    115    116    117    118    119    119    119    120    121    122    123    124    124    125    126 
GDT PERCENT_AT  75.40  86.51  88.10  89.68  90.48  91.27  92.06  92.86  93.65  94.44  94.44  94.44  95.24  96.03  96.83  97.62  98.41  98.41  99.21 100.00
GDT RMS_LOCAL    0.27   0.38   0.43   0.50   0.56   0.63   0.74   0.86   1.11   1.20   1.20   1.20   1.65   1.87   2.66   2.68   2.71   2.71   2.79   2.88
GDT RMS_ALL_AT   3.06   3.08   3.09   3.09   3.09   3.11   3.09   3.06   3.16   3.13   3.13   3.13   2.95   2.92   2.90   2.90   2.89   2.89   2.89   2.88

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  F    29_B      F    29_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  Y    57_B      Y    57_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  E    89_B      E    89_B
#   possible swapping detected:  Y    94_B      Y    94_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:  Y   111_B      Y   111_B
#   possible swapping detected:  Y   113_B      Y   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     1_B      E     1_B     2.250     0    0.097   0.814     2.888   66.905   68.519
LGA    V     2_B      V     2_B     1.356     0    0.089   0.251     1.856   83.810   81.565
LGA    Q     3_B      Q     3_B     0.725     0    0.107   0.552     2.034   95.238   88.730
LGA    L     4_B      L     4_B     0.307     0    0.090   0.435     0.971   97.619   96.429
LGA    Q     5_B      Q     5_B     0.166     0    0.027   1.017     3.675  100.000   79.630
LGA    E     6_B      E     6_B     0.113     0    0.073   0.150     0.396  100.000  100.000
LGA    S     7_B      S     7_B     0.145     0    0.048   0.156     0.445  100.000  100.000
LGA    G     8_B      G     8_B     0.265     0    0.041   0.041     0.527   97.619   97.619
LGA    G     9_B      G     9_B     0.194     0    0.069   0.069     0.782   97.619   97.619
LGA    G    10_B      G    10_B     0.155     0    0.036   0.036     0.208  100.000  100.000
LGA    L    11_B      L    11_B     0.270     0    0.069   0.422     1.116  100.000   95.298
LGA    V    12_B      V    12_B     0.287     0    0.000   0.065     0.309  100.000  100.000
LGA    Q    13_B      Q    13_B     0.244     0    0.016   1.018     2.673  100.000   89.048
LGA    P    14_B      P    14_B     0.288     0    0.041   0.108     0.482  100.000  100.000
LGA    G    15_B      G    15_B     0.458     0    0.177   0.177     0.546   97.619   97.619
LGA    G    16_B      G    16_B     0.283     0    0.059   0.059     0.525   97.619   97.619
LGA    S    17_B      S    17_B     0.294     0    0.034   0.060     0.619   97.619   96.825
LGA    L    18_B      L    18_B     0.207     0    0.017   0.149     0.555  100.000   98.810
LGA    R    19_B      R    19_B     0.160     0    0.045   0.316     1.047   97.619   97.446
LGA    L    20_B      L    20_B     0.128     0    0.024   1.227     2.593  100.000   89.048
LGA    S    21_B      S    21_B     0.322     0    0.055   0.270     0.836  100.000   98.413
LGA    C    22_B      C    22_B     0.437     0    0.046   0.064     0.555   97.619   96.825
LGA    A    23_B      A    23_B     0.280     0    0.035   0.057     0.392  100.000  100.000
LGA    A    24_B      A    24_B     0.319     0    0.103   0.135     0.586   97.619   98.095
LGA    S    25_B      S    25_B     0.698     0    0.040   0.137     0.884   95.238   93.651
LGA    G    26_B      G    26_B     0.472     0    0.064   0.064     0.543   97.619   97.619
LGA    F    27_B      F    27_B     0.547     0    0.047   0.210     0.610   90.476   94.805
LGA    R    28_B      R    28_B     0.422     0    0.016   0.916     3.793   97.619   84.113
LGA    F    29_B      F    29_B     0.311     0    0.016   0.102     0.682  100.000   98.268
LGA    S    30_B      S    30_B     0.478     0    0.057   0.154     0.786   95.238   93.651
LGA    S    31_B      S    31_B     0.826     0    0.104   0.630     1.283   90.476   87.460
LGA    Y    32_B      Y    32_B     0.514     0    0.038   0.232     1.227   95.238   90.556
LGA    W    33_B      W    33_B     0.217     0    0.022   0.122     0.684  100.000   98.639
LGA    M    34_B      M    34_B     0.200     0    0.018   0.844     2.912  100.000   93.452
LGA    Y    35_B      Y    35_B     0.212     0    0.050   0.206     0.973  100.000   95.238
LGA    W    36_B      W    36_B     0.225     0    0.028   0.116     0.460  100.000  100.000
LGA    V    37_B      V    37_B     0.172     0    0.061   0.125     0.284  100.000  100.000
LGA    R    38_B      R    38_B     0.262     0    0.019   0.125     0.828  100.000   97.403
LGA    Q    39_B      Q    39_B     0.270     0    0.067   0.117     0.922  100.000   96.825
LGA    A    40_B      A    40_B     0.080     0    0.025   0.041     0.271  100.000  100.000
LGA    P    41_B      P    41_B     0.493     0    0.052   0.080     0.624   95.238   94.558
LGA    G    42_B      G    42_B     0.654     0    0.086   0.086     0.866   90.476   90.476
LGA    K    43_B      K    43_B     0.488     0    0.081   0.641     2.840  100.000   87.090
LGA    G    44_B      G    44_B     0.532     0    0.045   0.045     0.565   92.857   92.857
LGA    L    45_B      L    45_B     0.334     0    0.009   1.242     3.268  100.000   88.036
LGA    E    46_B      E    46_B     0.087     0    0.060   0.238     1.083   97.619   93.704
LGA    W    47_B      W    47_B     0.234     0    0.033   0.096     0.519  100.000   99.320
LGA    V    48_B      V    48_B     0.277     0    0.015   0.028     0.304  100.000  100.000
LGA    S    49_B      S    49_B     0.386     0    0.018   0.296     1.128  100.000   96.905
LGA    A    50_B      A    50_B     0.202     0    0.034   0.042     0.202  100.000  100.000
LGA    I    51_B      I    51_B     0.232     0    0.043   0.104     0.534  100.000   97.619
LGA    N    52_B      N    52_B     0.283     0    0.041   0.144     0.917  100.000   96.429
LGA    S    53_B      S    53_B     0.291     0    0.047   0.353     0.955   97.619   96.825
LGA    S    54_B      S    54_B     0.539     0    0.102   0.106     1.133   90.595   90.556
LGA    G    55_B      G    55_B     0.262     0    0.760   0.760     2.667   89.286   89.286
LGA    G    56_B      G    56_B     1.692     0    0.066   0.066     1.816   81.667   81.667
LGA    Y    57_B      Y    57_B     0.291     0    0.110   0.284     0.819   97.619   97.619
LGA    T    58_B      T    58_B     0.275     0    0.031   0.123     0.328  100.000  100.000
LGA    R    59_B      R    59_B     0.078     0    0.026   1.175     5.136  100.000   82.338
LGA    Y    60_B      Y    60_B     0.191     0    0.036   0.233     0.798  100.000   96.825
LGA    A    61_B      A    61_B     0.242     0    0.038   0.061     0.343  100.000  100.000
LGA    D    62_B      D    62_B     0.392     0    0.061   0.392     1.803   97.619   93.036
LGA    S    63_B      S    63_B     0.489     0    0.094   0.116     1.034   92.976   92.143
LGA    V    64_B      V    64_B     0.242     0    0.033   0.104     0.362  100.000  100.000
LGA    K    65_B      K    65_B     0.133     0    0.036   0.736     2.982  100.000   91.164
LGA    G    66_B      G    66_B     0.211     0    0.040   0.040     0.250  100.000  100.000
LGA    R    67_B      R    67_B     0.273     0    0.051   0.112     0.871  100.000   95.671
LGA    F    68_B      F    68_B     0.180     0    0.075   0.147     0.686   97.619   99.134
LGA    T    69_B      T    69_B     0.153     0    0.060   0.108     0.416  100.000  100.000
LGA    I    70_B      I    70_B     0.140     0    0.043   0.068     0.268  100.000  100.000
LGA    S    71_B      S    71_B     0.490     0    0.024   0.069     0.595  100.000   96.825
LGA    R    72_B      R    72_B     0.164     0    0.050   0.218     0.831  100.000   96.537
LGA    D    73_B      D    73_B     0.360     0    0.019   0.214     1.346   97.619   94.107
LGA    N    74_B      N    74_B     0.220     0    0.029   0.857     2.191  100.000   93.274
LGA    A    75_B      A    75_B     0.620     0    0.020   0.023     0.737   92.857   92.381
LGA    K    76_B      K    76_B     0.395     0    0.008   0.365     1.650  100.000   95.926
LGA    N    77_B      N    77_B     0.295     0    0.028   0.332     1.136   97.619   95.298
LGA    T    78_B      T    78_B     0.353     0    0.059   0.102     0.678  100.000   98.639
LGA    L    79_B      L    79_B     0.140     0    0.031   0.082     0.271  100.000  100.000
LGA    Y    80_B      Y    80_B     0.227     0    0.094   0.198     1.057   97.619   95.278
LGA    L    81_B      L    81_B     0.175     0    0.021   0.255     0.726  100.000   97.619
LGA    Q    82_B      Q    82_B     0.101     0    0.057   0.137     0.447  100.000  100.000
LGA    M    83_B      M    83_B     0.263     0    0.019   0.754     2.137  100.000   94.405
LGA    N    84_B      N    84_B     0.193     0    0.089   0.325     1.116   97.619   96.488
LGA    S    85_B      S    85_B     0.662     0    0.057   0.114     0.876   90.476   90.476
LGA    L    86_B      L    86_B     0.296     0    0.060   0.086     0.627   97.619   98.810
LGA    R    87_B      R    87_B     0.300     0    0.019   0.178     1.386  100.000   93.117
LGA    A    88_B      A    88_B     0.176     0    0.053   0.052     0.324  100.000  100.000
LGA    E    89_B      E    89_B     0.319     0    0.014   0.391     1.624  100.000   93.862
LGA    D    90_B      D    90_B     0.116     0    0.033   0.091     0.280  100.000  100.000
LGA    T    91_B      T    91_B     0.094     0    0.086   0.077     0.242  100.000  100.000
LGA    A    92_B      A    92_B     0.048     0    0.065   0.096     0.226  100.000  100.000
LGA    V    93_B      V    93_B     0.195     0    0.031   0.268     0.902  100.000   98.639
LGA    Y    94_B      Y    94_B     0.160     0    0.096   0.120     0.530   97.619   99.206
LGA    Y    95_B      Y    95_B     0.207     0    0.075   0.109     0.920  100.000   96.032
LGA    C    96_B      C    96_B     0.219     0    0.045   0.173     0.554  100.000   98.413
LGA    A    97_B      A    97_B     0.246     0    0.015   0.031     0.281  100.000  100.000
LGA    T    98_B      T    98_B     0.455     0    0.063   0.106     1.006   92.976   95.986
LGA    D    99_B      D    99_B     1.842     0    0.523   0.544     3.191   75.000   65.238
LGA    S   100_B      S   100_B     4.173     0    0.356   0.782     8.614   34.762   25.873
LGA    G   101_B      G   101_B     4.750     0    0.554   0.554     8.955   21.905   21.905
LGA    D   102_B      D   102_B     9.628     0    0.349   1.170    13.201    1.905    0.952
LGA    G   103_B      G   103_B    14.514     0    0.535   0.535    15.071    0.000    0.000
LGA    K   104_B      K   104_B    15.417     0    0.658   0.764    21.943    0.000    0.000
LGA    R   105_B      R   105_B    10.966     0    0.368   0.824    12.311    0.000   11.732
LGA    Y   106_B      Y   106_B    13.439     0    0.091   1.185    22.812    0.000    0.000
LGA    W   107_B      W   107_B     9.883     0    0.429   0.999    12.513    0.476    0.442
LGA    S   108_B      S   108_B     8.194     0    0.618   0.538     9.652   10.595    7.619
LGA    G   109_B      G   109_B     2.697     0    0.214   0.214     5.136   39.405   39.405
LGA    E   110_B      E   110_B     7.081     0    0.582   1.139    13.902   17.619    7.884
LGA    Y   111_B      Y   111_B     6.146     0    0.413   1.249    14.320   21.667    7.778
LGA    F   112_B      F   112_B     3.196     0    0.402   0.313     4.525   51.905   46.104
LGA    Y   113_B      Y   113_B     1.280     0    0.184   1.407     6.598   75.119   62.381
LGA    R   114_B      R   114_B     1.481     0    0.044   1.114     7.112   79.524   52.727
LGA    S   115_B      S   115_B     0.750     0    0.010   0.096     1.358   95.238   92.143
LGA    R   116_B      R   116_B     0.445     0    0.093   0.813     2.512   97.619   86.840
LGA    G   117_B      G   117_B     0.161     0    0.037   0.037     0.288  100.000  100.000
LGA    Q   118_B      Q   118_B     0.100     0    0.070   1.384     6.607  100.000   67.989
LGA    G   119_B      G   119_B     0.261     0    0.030   0.030     0.261  100.000  100.000
LGA    T   120_B      T   120_B     0.123     0    0.030   0.065     0.429  100.000  100.000
LGA    L   121_B      L   121_B     0.117     0    0.016   0.254     0.574  100.000   97.619
LGA    V   122_B      V   122_B     0.229     0    0.010   0.084     0.345  100.000  100.000
LGA    T   123_B      T   123_B     0.212     0    0.088   0.458     1.266  100.000   95.986
LGA    V   124_B      V   124_B     0.125     0    0.047   0.066     0.482  100.000  100.000
LGA    S   125_B      S   125_B     0.547     0    0.063   0.098     0.913   92.857   92.063
LGA    S   126_B      S   126_B     0.845     0    0.276   0.894     4.482   68.810   65.000

# 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):     2.883          2.883                  3.680           88.524   85.628

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  126    4.0    117    0.86    91.667    86.245    12.153

LGA_LOCAL      RMSD:   0.863  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.062  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.883  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.537523 * X  +   0.501659 * Y  +   0.677796 * Z  + -30.748909
  Y_new =   0.520391 * X  +  -0.829818 * Y  +   0.201482 * Z  + -14.220852
  Z_new =   0.663523 * X  +   0.244417 * Y  +  -0.707105 * Z  + -68.111511 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.769205 -0.725517  2.808790   [DEG:   44.0722  -41.5691  160.9318 ]
ZXZ:  1.859738  2.356192  1.217857   [DEG:  106.5551  134.9999   69.7781 ]
 
# END of job
