
#######################################################
#                                                     #
#                        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  125 (  974),  selected  125 , name one
# Molecule2: number of CA atoms  126 (  983),  selected  125 , 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:   125       2_B - 126_B       4.18     4.18
  LCS_AVERAGE:     99.21

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   102       2_B - 103_B       1.73     4.42
  LCS_AVERAGE:     67.94

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100       2_B - 101_B       0.96     4.54
  LCS_AVERAGE:     65.17

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  125
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     V     2_B     V     2_B    100  102  125      3   74  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     Q     3_B     Q     3_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     L     4_B     L     4_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     Q     5_B     Q     5_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     E     6_B     E     6_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     S     7_B     S     7_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     G     8_B     G     8_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     G     9_B     G     9_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     G    10_B     G    10_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     L    11_B     L    11_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     V    12_B     V    12_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     Q    13_B     Q    13_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     P    14_B     P    14_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     G    15_B     G    15_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     G    16_B     G    16_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     S    17_B     S    17_B    100  102  125     82  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     L    18_B     L    18_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     R    19_B     R    19_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     L    20_B     L    20_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     S    21_B     S    21_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     C    22_B     C    22_B    100  102  125     84  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     A    23_B     A    23_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     A    24_B     A    24_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     S    25_B     S    25_B    100  102  125     10  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     G    26_B     G    26_B    100  102  125     26  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     F    27_B     F    27_B    100  102  125     35  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     R    28_B     R    28_B    100  102  125     49  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     F    29_B     F    29_B    100  102  125     66  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     S    30_B     S    30_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     S    31_B     S    31_B    100  102  125     63  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     Y    32_B     Y    32_B    100  102  125     52  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     W    33_B     W    33_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     M    34_B     M    34_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     Y    35_B     Y    35_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     W    36_B     W    36_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     V    37_B     V    37_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     R    38_B     R    38_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     Q    39_B     Q    39_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     A    40_B     A    40_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     P    41_B     P    41_B    100  102  125     65  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     G    42_B     G    42_B    100  102  125     13  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     K    43_B     K    43_B    100  102  125     74  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     G    44_B     G    44_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     L    45_B     L    45_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     E    46_B     E    46_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     W    47_B     W    47_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     V    48_B     V    48_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     S    49_B     S    49_B    100  102  125     84  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     A    50_B     A    50_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     I    51_B     I    51_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     N    52_B     N    52_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     S    53_B     S    53_B    100  102  125     23  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     S    54_B     S    54_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     G    55_B     G    55_B    100  102  125     73  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     G    56_B     G    56_B    100  102  125     12   45  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     Y    57_B     Y    57_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     T    58_B     T    58_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     R    59_B     R    59_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     Y    60_B     Y    60_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     A    61_B     A    61_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     D    62_B     D    62_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     S    63_B     S    63_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     V    64_B     V    64_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     K    65_B     K    65_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     G    66_B     G    66_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     R    67_B     R    67_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     F    68_B     F    68_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     T    69_B     T    69_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     I    70_B     I    70_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     S    71_B     S    71_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     R    72_B     R    72_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     D    73_B     D    73_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     N    74_B     N    74_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     A    75_B     A    75_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     K    76_B     K    76_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     N    77_B     N    77_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     T    78_B     T    78_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     L    79_B     L    79_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     Y    80_B     Y    80_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     L    81_B     L    81_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     Q    82_B     Q    82_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     M    83_B     M    83_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     N    84_B     N    84_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     S    85_B     S    85_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     L    86_B     L    86_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     R    87_B     R    87_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     A    88_B     A    88_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     E    89_B     E    89_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     D    90_B     D    90_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     T    91_B     T    91_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     A    92_B     A    92_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     V    93_B     V    93_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     Y    94_B     Y    94_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     Y    95_B     Y    95_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     C    96_B     C    96_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     A    97_B     A    97_B    100  102  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     T    98_B     T    98_B    100  102  125     81  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     D    99_B     D    99_B    100  102  125      3    5   42  110  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     S   100_B     S   100_B    100  102  125      9   24   62   75  106  112  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     G   101_B     G   101_B    100  102  125      3    3    9   38   84  105  112  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     D   102_B     D   102_B      5  102  125      4    4    6   18   28   83  106  114  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     G   103_B     G   103_B      5  102  125      4    4    5    6    9    9   10   53   80   97  106  116  117  118  118  119  119  121  121  122 
LCS_GDT     K   104_B     K   104_B      5    7  125      4    4    5    6    9    9   10   13   14   15   21   25   51   52   83  112  116  121  121  122 
LCS_GDT     R   105_B     R   105_B      5    7  125      4    4    5    6    9    9   10   13   14   16   22   41   73   94  106  115  119  121  121  122 
LCS_GDT     Y   106_B     Y   106_B      5    6  125      3    3    5    6    7    8    9   13   14   15   17   18   21   22   26   31   39   45   70   74 
LCS_GDT     W   107_B     W   107_B      3    5  125      3    3    3    4    4    5    5    6    9   10   16   18   20   23   26   40   45   60   70   84 
LCS_GDT     S   108_B     S   108_B      3    5  125      3    3    3    4    4    5    5    7    9   10   10   12   14   17   22   30   38   52  101  106 
LCS_GDT     G   109_B     G   109_B      3    5  125      3    3    4    5    6    6    7    9   11   23   44   52   70   85   93  102  112  116  118  122 
LCS_GDT     E   110_B     E   110_B      3    6  125      3    3    3    4    7   12   18   31   43   65   88  114  115  116  116  119  119  121  121  122 
LCS_GDT     Y   111_B     Y   111_B      3   16  125      3    3    4    7   24   32   65   92  113  114  115  116  117  118  118  119  119  121  121  122 
LCS_GDT     F   112_B     F   112_B     15   16  125     12   45  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     Y   113_B     Y   113_B     15   16  125     84  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     R   114_B     R   114_B     15   16  125     79  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     S   115_B     S   115_B     15   16  125     35  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     R   116_B     R   116_B     15   16  125     79  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     G   117_B     G   117_B     15   16  125     30  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     Q   118_B     Q   118_B     15   16  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     G   119_B     G   119_B     15   16  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     T   120_B     T   120_B     15   16  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     L   121_B     L   121_B     15   16  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     V   122_B     V   122_B     15   16  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     T   123_B     T   123_B     15   16  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     V   124_B     V   124_B     15   16  125     86  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     S   125_B     S   125_B     15   16  125     65  108  110  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_GDT     S   126_B     S   126_B     15   16  125      3   65  104  112  113  113  114  115  116  116  116  116  117  118  118  119  119  121  121  122 
LCS_AVERAGE  LCS_A:  77.44  (  65.17   67.94   99.21 )

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     86    108    110    112    113    113    114    115    116    116    116    116    117    118    118    119    119    121    121    122 
GDT PERCENT_AT  68.25  85.71  87.30  88.89  89.68  89.68  90.48  91.27  92.06  92.06  92.06  92.06  92.86  93.65  93.65  94.44  94.44  96.03  96.03  96.83
GDT RMS_LOCAL    0.30   0.46   0.51   0.58   0.63   0.63   0.75   0.96   1.22   1.22   1.22   1.13   1.36   1.76   1.76   1.99   1.99   2.79   2.79   3.08
GDT RMS_ALL_AT   4.57   4.56   4.56   4.56   4.55   4.55   4.55   4.53   4.49   4.49   4.49   4.51   4.48   4.42   4.42   4.39   4.39   4.27   4.27   4.24

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  F    27_B      F    27_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    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:  F   112_B      F   112_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    V     2_B      V     2_B     2.057     0    0.126   0.174     3.532   73.452   65.578
LGA    Q     3_B      Q     3_B     0.445     0    0.162   0.905     5.181   97.619   74.074
LGA    L     4_B      L     4_B     0.169     0    0.082   0.432     1.170  100.000   95.357
LGA    Q     5_B      Q     5_B     0.364     0    0.052   0.453     1.764  100.000   90.794
LGA    E     6_B      E     6_B     0.448     0    0.060   1.044     3.719  100.000   89.524
LGA    S     7_B      S     7_B     0.284     0    0.043   0.149     0.462  100.000  100.000
LGA    G     8_B      G     8_B     0.302     0    0.020   0.020     0.475  100.000  100.000
LGA    G     9_B      G     9_B     0.386     0    0.084   0.084     1.044   92.976   92.976
LGA    G    10_B      G    10_B     0.360     0    0.031   0.031     0.454  100.000  100.000
LGA    L    11_B      L    11_B     0.159     0    0.060   0.421     1.344  100.000   95.298
LGA    V    12_B      V    12_B     0.382     0    0.040   0.120     0.605  100.000   98.639
LGA    Q    13_B      Q    13_B     0.409     0    0.026   1.195     3.873  100.000   85.714
LGA    P    14_B      P    14_B     0.366     0    0.033   0.072     0.405  100.000  100.000
LGA    G    15_B      G    15_B     0.415     0    0.129   0.129     0.802   97.619   97.619
LGA    G    16_B      G    16_B     0.290     0    0.065   0.065     0.548   97.619   97.619
LGA    S    17_B      S    17_B     0.557     0    0.064   0.124     0.853   92.857   92.063
LGA    L    18_B      L    18_B     0.287     0    0.024   1.332     2.769  100.000   86.726
LGA    R    19_B      R    19_B     0.272     0    0.097   0.853     2.228   97.619   89.177
LGA    L    20_B      L    20_B     0.171     0    0.023   1.211     2.540  100.000   89.048
LGA    S    21_B      S    21_B     0.413     0    0.059   0.707     1.927  100.000   93.889
LGA    C    22_B      C    22_B     0.561     0    0.043   0.112     0.761   95.238   93.651
LGA    A    23_B      A    23_B     0.272     0    0.021   0.023     0.413  100.000  100.000
LGA    A    24_B      A    24_B     0.250     0    0.081   0.119     0.344  100.000  100.000
LGA    S    25_B      S    25_B     1.076     0    0.066   0.112     1.231   85.952   84.444
LGA    G    26_B      G    26_B     1.484     0    0.130   0.130     1.484   81.429   81.429
LGA    F    27_B      F    27_B     1.431     0    0.017   0.242     1.438   81.429   83.896
LGA    R    28_B      R    28_B     1.126     0    0.040   0.957     3.809   83.690   78.831
LGA    F    29_B      F    29_B     0.869     0    0.000   0.110     1.018   88.214   94.848
LGA    S    30_B      S    30_B     0.143     0    0.022   0.062     0.512   97.619   98.413
LGA    S    31_B      S    31_B     0.969     0    0.227   0.660     1.620   90.476   86.032
LGA    Y    32_B      Y    32_B     0.923     0    0.037   0.164     1.898   88.214   81.587
LGA    W    33_B      W    33_B     0.420     0    0.096   0.239     2.820   97.619   77.891
LGA    M    34_B      M    34_B     0.513     0    0.038   0.924     3.305   97.619   90.179
LGA    Y    35_B      Y    35_B     0.453     0    0.012   0.385     3.644   97.619   78.175
LGA    W    36_B      W    36_B     0.405     0    0.051   0.191     0.476  100.000  100.000
LGA    V    37_B      V    37_B     0.441     0    0.092   1.079     2.623   97.619   86.395
LGA    R    38_B      R    38_B     0.338     0    0.012   0.122     0.440  100.000  100.000
LGA    Q    39_B      Q    39_B     0.229     0    0.062   0.150     0.683  100.000   96.825
LGA    A    40_B      A    40_B     0.300     0    0.042   0.046     0.344  100.000  100.000
LGA    P    41_B      P    41_B     0.749     0    0.028   0.269     1.188   90.595   90.612
LGA    G    42_B      G    42_B     1.055     0    0.074   0.074     1.055   88.214   88.214
LGA    K    43_B      K    43_B     0.755     0    0.051   0.767     4.736   95.238   77.619
LGA    G    44_B      G    44_B     0.381     0    0.041   0.041     0.693   97.619   97.619
LGA    L    45_B      L    45_B     0.375     0    0.038   1.198     3.854  100.000   86.131
LGA    E    46_B      E    46_B     0.522     0    0.075   0.786     2.109   92.857   81.905
LGA    W    47_B      W    47_B     0.466     0    0.064   0.076     0.492  100.000  100.000
LGA    V    48_B      V    48_B     0.227     0    0.067   0.120     0.329  100.000  100.000
LGA    S    49_B      S    49_B     0.543     0    0.051   0.776     2.691   97.619   89.683
LGA    A    50_B      A    50_B     0.440     0    0.028   0.093     0.499  100.000  100.000
LGA    I    51_B      I    51_B     0.197     0    0.026   0.104     0.406  100.000  100.000
LGA    N    52_B      N    52_B     0.472     0    0.033   0.064     0.913   95.238   94.048
LGA    S    53_B      S    53_B     0.738     0    0.046   0.407     1.165   95.238   92.143
LGA    S    54_B      S    54_B     0.340     0    0.072   0.085     0.617  100.000   98.413
LGA    G    55_B      G    55_B     0.679     0    0.752   0.752     2.694   82.143   82.143
LGA    G    56_B      G    56_B     1.804     0    0.088   0.088     1.893   81.667   81.667
LGA    Y    57_B      Y    57_B     0.126     0    0.102   1.369     8.649   97.619   59.365
LGA    T    58_B      T    58_B     0.079     0    0.045   0.153     0.492  100.000  100.000
LGA    R    59_B      R    59_B     0.259     0    0.019   1.428     7.242  100.000   68.918
LGA    Y    60_B      Y    60_B     0.106     0    0.025   0.214     0.792  100.000   96.825
LGA    A    61_B      A    61_B     0.387     0    0.030   0.054     0.511  100.000   98.095
LGA    D    62_B      D    62_B     0.395     0    0.081   0.461     2.233   95.238   90.833
LGA    S    63_B      S    63_B     0.442     0    0.054   0.154     0.935   97.619   95.238
LGA    V    64_B      V    64_B     0.190     0    0.036   0.112     0.550  100.000   98.639
LGA    K    65_B      K    65_B     0.132     0    0.034   0.984     4.566  100.000   84.709
LGA    G    66_B      G    66_B     0.340     0    0.047   0.047     0.373  100.000  100.000
LGA    R    67_B      R    67_B     0.319     0    0.087   0.151     0.581  100.000   99.134
LGA    F    68_B      F    68_B     0.293     0    0.074   0.159     0.484  100.000  100.000
LGA    T    69_B      T    69_B     0.238     0    0.079   0.138     0.648   97.619   95.918
LGA    I    70_B      I    70_B     0.163     0    0.013   0.057     0.299  100.000  100.000
LGA    S    71_B      S    71_B     0.248     0    0.030   0.121     0.358  100.000  100.000
LGA    R    72_B      R    72_B     0.355     0    0.000   1.030     2.508  100.000   89.481
LGA    D    73_B      D    73_B     0.289     0    0.028   0.310     1.216  100.000   97.679
LGA    N    74_B      N    74_B     0.272     0    0.014   0.823     1.909  100.000   93.214
LGA    A    75_B      A    75_B     0.272     0    0.100   0.098     0.474  100.000  100.000
LGA    K    76_B      K    76_B     0.194     0    0.040   0.220     1.458  100.000   96.878
LGA    N    77_B      N    77_B     0.413     0    0.067   0.546     2.409  100.000   89.762
LGA    T    78_B      T    78_B     0.345     0    0.060   0.107     0.657  100.000   98.639
LGA    L    79_B      L    79_B     0.300     0    0.032   0.061     0.477  100.000  100.000
LGA    Y    80_B      Y    80_B     0.470     0    0.081   0.235     0.953  100.000   98.413
LGA    L    81_B      L    81_B     0.344     0    0.015   0.266     0.879   97.619   96.429
LGA    Q    82_B      Q    82_B     0.276     0    0.033   0.193     0.682   97.619   97.884
LGA    M    83_B      M    83_B     0.483     0    0.072   0.638     1.700  100.000   93.036
LGA    N    84_B      N    84_B     0.219     0    0.062   0.996     2.284   97.619   90.000
LGA    S    85_B      S    85_B     0.327     0    0.087   0.106     0.848   97.619   98.413
LGA    L    86_B      L    86_B     0.217     0    0.082   0.082     0.502   97.619   98.810
LGA    R    87_B      R    87_B     0.254     0    0.022   0.099     0.449  100.000  100.000
LGA    A    88_B      A    88_B     0.243     0    0.062   0.062     0.439  100.000  100.000
LGA    E    89_B      E    89_B     0.231     0    0.032   0.750     1.674   97.619   90.741
LGA    D    90_B      D    90_B     0.226     0    0.028   0.054     0.318  100.000  100.000
LGA    T    91_B      T    91_B     0.193     0    0.067   0.081     0.346  100.000  100.000
LGA    A    92_B      A    92_B     0.147     0    0.074   0.110     0.281  100.000  100.000
LGA    V    93_B      V    93_B     0.259     0    0.028   0.177     0.499  100.000  100.000
LGA    Y    94_B      Y    94_B     0.349     0    0.181   0.207     1.159   92.976   97.659
LGA    Y    95_B      Y    95_B     0.414     0    0.073   0.239     0.680  100.000   98.413
LGA    C    96_B      C    96_B     0.215     0    0.049   0.205     0.679   97.619   96.825
LGA    A    97_B      A    97_B     0.090     0    0.065   0.085     0.174  100.000  100.000
LGA    T    98_B      T    98_B     0.638     0    0.190   1.022     2.772   92.857   84.558
LGA    D    99_B      D    99_B     2.456     0    0.480   1.302     7.268   66.786   45.714
LGA    S   100_B      S   100_B     4.178     0    0.082   0.099     6.613   30.000   27.937
LGA    G   101_B      G   101_B     6.291     0    0.186   0.186     7.139   15.833   15.833
LGA    D   102_B      D   102_B     8.429     0    0.117   1.022    13.495    2.976    1.488
LGA    G   103_B      G   103_B    12.738     0    0.112   0.112    13.283    0.000    0.000
LGA    K   104_B      K   104_B    17.049     0    0.041   0.897    28.076    0.000    0.000
LGA    R   105_B      R   105_B    16.075     0    0.670   1.750    19.590    0.000    2.900
LGA    Y   106_B      Y   106_B    21.500     0    0.649   1.201    26.189    0.000    0.000
LGA    W   107_B      W   107_B    21.388     0    0.624   1.160    27.015    0.000    0.000
LGA    S   108_B      S   108_B    18.749     0    0.602   0.825    19.004    0.000    0.000
LGA    G   109_B      G   109_B    15.912     0    0.672   0.672    16.823    0.000    0.000
LGA    E   110_B      E   110_B    10.418     0    0.580   1.570    12.024    4.524    2.963
LGA    Y   111_B      Y   111_B     6.591     0    0.640   1.242    12.782   16.429    5.952
LGA    F   112_B      F   112_B     2.484     0    0.068   1.289     8.974   57.500   35.844
LGA    Y   113_B      Y   113_B     0.521     0    0.217   0.967     8.408   85.952   55.397
LGA    R   114_B      R   114_B     0.702     0    0.046   0.563     2.831   88.214   73.550
LGA    S   115_B      S   115_B     0.928     0    0.015   0.630     2.686   92.857   85.000
LGA    R   116_B      R   116_B     0.557     0    0.091   1.099     5.798   92.857   68.225
LGA    G   117_B      G   117_B     0.571     0    0.057   0.057     0.571   97.619   97.619
LGA    Q   118_B      Q   118_B     0.387     0    0.097   0.611     2.248  100.000   91.005
LGA    G   119_B      G   119_B     0.361     0    0.064   0.064     0.602   97.619   97.619
LGA    T   120_B      T   120_B     0.391     0    0.027   0.067     0.627  100.000   98.639
LGA    L   121_B      L   121_B     0.308     0    0.017   0.208     1.056  100.000   96.488
LGA    V   122_B      V   122_B     0.085     0    0.015   0.133     0.368  100.000  100.000
LGA    T   123_B      T   123_B     0.238     0    0.082   0.474     1.483  100.000   94.694
LGA    V   124_B      V   124_B     0.360     0    0.016   0.070     0.595  100.000   98.639
LGA    S   125_B      S   125_B     0.718     0    0.054   0.593     1.392   88.214   87.460
LGA    S   126_B      S   126_B     1.806     0    0.150   0.765     4.659   60.714   59.603

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     974    974  100.00               126
SUMMARY(RMSD_GDC):     4.179          4.168                  5.050           86.542   82.095

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  125  126    4.0    115    0.96    90.079    84.745    10.866

LGA_LOCAL      RMSD:   0.958  Number of atoms:  115  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.529  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   4.179  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.378979 * X  +   0.925405 * Y  +  -0.000334 * Z  + -44.361866
  Y_new =  -0.225010 * X  +  -0.092498 * Y  +  -0.969956 * Z  +  66.198708
  Z_new =  -0.897633 * X  +  -0.367518 * Y  +   0.243280 * Z  + -96.579826 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.605799  1.114370 -0.986064   [DEG: -149.3013   63.8487  -56.4973 ]
ZXZ: -0.000344  1.325051 -1.959405   [DEG:   -0.0197   75.9198 -112.2657 ]
 
# END of job
