
#######################################################
#                                                     #
#                        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  123 (  960),  selected  123 , name one
# Molecule2: number of CA atoms  123 (  960),  selected  123 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:H  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123       1_B - 123_B       3.23     3.23
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       1.51     3.49
  LCS_AVERAGE:     71.51

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       1_B - 101_B       0.89     3.61
  LCS_AVERAGE:     68.64

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  123
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     Q     1_H     Q     1_B    101  103  123     72  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     V     2_H     V     2_B    101  103  123     85  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     Q     3_H     Q     3_B    101  103  123     83  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     L     4_H     L     4_B    101  103  123     91  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     V     5_H     V     5_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     E     6_H     E     6_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     S     7_H     S     7_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     G     8_H     G     8_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     G     9_H     G     9_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     G    10_H     G    10_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     L    11_H     L    11_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     V    12_H     V    12_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     Q    13_H     Q    13_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     A    14_H     A    14_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     G    15_H     G    15_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     G    16_H     G    16_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     S    17_H     S    17_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     L    18_H     L    18_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     R    19_H     R    19_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     L    20_H     L    20_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     S    21_H     S    21_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     C    22_H     C    22_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     A    23_H     A    23_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     A    24_H     A    24_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     S    25_H     S    25_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     G    26_H     G    26_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     F    27_H     F    27_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     I    28_H     I    28_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     F    29_H     F    29_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     H    30_H     H    30_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     N    31_H     N    31_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     F    32_H     F    32_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     D    33_H     D    33_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     M    34_H     M    34_B    101  103  123     93  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     G    35_H     G    35_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     W    36_H     W    36_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     Y    37_H     Y    37_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     R    38_H     R    38_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     Q    39_H     Q    39_B    101  103  123     66  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     A    40_H     A    40_B    101  103  123     53  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     P    41_H     P    41_B    101  103  123     53  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     G    42_H     G    42_B    101  103  123     19  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     K    43_H     K    43_B    101  103  123     19  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     E    44_H     E    44_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     R    45_H     R    45_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     E    46_H     E    46_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     F    47_H     F    47_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     V    48_H     V    48_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     A    49_H     A    49_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     A    50_H     A    50_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     I    51_H     I    51_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     S    52_H     S    52_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     D    53_H     D    53_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     N    54_H     N    54_B    101  103  123     17  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     G    55_H     G    55_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     R    56_H     R    56_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     S    57_H     S    57_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     T    58_H     T    58_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     Y    59_H     Y    59_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     Y    60_H     Y    60_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     A    61_H     A    61_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     D    62_H     D    62_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     S    63_H     S    63_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     V    64_H     V    64_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     K    65_H     K    65_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     G    66_H     G    66_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     R    67_H     R    67_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     F    68_H     F    68_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     T    69_H     T    69_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     I    70_H     I    70_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     S    71_H     S    71_B    101  103  123     88  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     R    72_H     R    72_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     D    73_H     D    73_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     N    74_H     N    74_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     A    75_H     A    75_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     K    76_H     K    76_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     N    77_H     N    77_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     T    78_H     T    78_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     V    79_H     V    79_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     Y    80_H     Y    80_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     L    81_H     L    81_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     Q    82_H     Q    82_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     M    83_H     M    83_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     N    84_H     N    84_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     S    85_H     S    85_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     L    86_H     L    86_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     K    87_H     K    87_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     P    88_H     P    88_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     E    89_H     E    89_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     D    90_H     D    90_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     T    91_H     T    91_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     A    92_H     A    92_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     V    93_H     V    93_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     Y    94_H     Y    94_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     Y    95_H     Y    95_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     C    96_H     C    96_B    101  103  123     39  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     A    97_H     A    97_B    101  103  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     V    98_H     V    98_B    101  103  123     18  105  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     A    99_H     A    99_B    101  103  123      3    5   16  106  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     W   100_H     W   100_B    101  103  123      3    5    5    8   11   38   83  111  113  113  114  117  117  117  118  119  120  120  121  122 
LCS_GDT     L   101_H     L   101_B    101  103  123      3    5   58  102  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     S   102_H     S   102_B      5  103  123      4    5   31   52   90  109  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     I   103_H     I   103_B      5  103  123      4    5    5    6    7   20   28   49   90  110  115  116  118  118  119  119  120  120  122  122 
LCS_GDT     P   104_H     P   104_B      5    6  123      4    5    5    6    7    7    9   11   15   23   45   61   78   97  110  113  117  120  122  122 
LCS_GDT     D   105_H     D   105_B      5    6  123      4    5    5    6    7    8   10   13   18   35   47   61   78   97  110  113  117  120  122  122 
LCS_GDT     L   106_H     L   106_B      5    6  123      3    3    5    8   17   21   34   43   56   68   84   91   95  113  119  119  120  120  122  122 
LCS_GDT     A   107_H     A   107_B      3    6  123      3    3    4    5    7   11   14   24   34   50   63   73   92  102  110  115  120  120  122  122 
LCS_GDT     E   108_H     E   108_B      3    6  123      3    3    4   13   24   31   45   52   81   97  111  116  118  118  119  119  120  120  122  122 
LCS_GDT     W   109_H     W   109_B      3    5  123      3    3   23   37   60   87  108  113  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     Y   110_H     Y   110_B      3    5  123      3    3    4   11   18   20   80  106  114  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     D   111_H     D   111_B      3   13  123      4   17   35   59   90  110  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     Y   112_H     Y   112_B     12   13  123     30  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     W   113_H     W   113_B     12   13  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     G   114_H     G   114_B     12   13  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     Q   115_H     Q   115_B     12   13  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     G   116_H     G   116_B     12   13  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     T   117_H     T   117_B     12   13  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     Q   118_H     Q   118_B     12   13  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     V   119_H     V   119_B     12   13  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     T   120_H     T   120_B     12   13  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     V   121_H     V   121_B     12   13  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     S   122_H     S   122_B     12   13  123     92  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_GDT     S   123_H     S   123_B     12   13  123     94  109  110  110  112  112  112  114  115  116  116  117  118  118  119  119  120  120  122  122 
LCS_AVERAGE  LCS_A:  80.05  (  68.64   71.51  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     94    109    110    110    112    112    112    114    115    116    116    117    118    118    119    119    120    120    122    122 
GDT PERCENT_AT  76.42  88.62  89.43  89.43  91.06  91.06  91.06  92.68  93.50  94.31  94.31  95.12  95.93  95.93  96.75  96.75  97.56  97.56  99.19  99.19
GDT RMS_LOCAL    0.30   0.40   0.42   0.42   0.63   0.63   0.63   1.00   1.22   1.40   1.40   1.51   1.97   1.97   2.28   2.06   2.56   2.35   3.17   2.97
GDT RMS_ALL_AT   3.60   3.58   3.59   3.59   3.59   3.59   3.59   3.51   3.46   3.42   3.42   3.44   3.32   3.32   3.28   3.33   3.25   3.29   3.23   3.24

# Checking swapping
#   possible swapping detected:  E     6_H      E     6_B
#   possible swapping detected:  F    29_H      F    29_B
#   possible swapping detected:  F    32_H      F    32_B
#   possible swapping detected:  Y    37_H      Y    37_B
#   possible swapping detected:  E    46_H      E    46_B
#   possible swapping detected:  F    47_H      F    47_B
#   possible swapping detected:  E    89_H      E    89_B
#   possible swapping detected:  Y    94_H      Y    94_B
#   possible swapping detected:  D   105_H      D   105_B
#   possible swapping detected:  Y   112_H      Y   112_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_H      Q     1_B     0.638     0    0.676   1.082     8.963   84.048   48.254
LGA    V     2_H      V     2_B     0.522     0    0.053   0.199     0.887   95.238   94.558
LGA    Q     3_H      Q     3_B     0.530     0    0.081   0.405     2.655   90.476   81.958
LGA    L     4_H      L     4_B     0.626     0    0.061   0.138     0.777   90.476   90.476
LGA    V     5_H      V     5_B     0.461     0    0.114   0.118     0.795   97.619   98.639
LGA    E     6_H      E     6_B     0.367     0    0.060   0.233     0.803   97.619   93.651
LGA    S     7_H      S     7_B     0.435     0    0.042   0.101     0.671   97.619   95.238
LGA    G     8_H      G     8_B     0.481     0    0.075   0.075     0.768   97.619   97.619
LGA    G     9_H      G     9_B     0.207     0    0.029   0.029     0.660   97.619   97.619
LGA    G    10_H      G    10_B     0.245     0    0.149   0.149     0.643   97.619   97.619
LGA    L    11_H      L    11_B     0.150     0    0.024   0.624     1.565  100.000   94.286
LGA    V    12_H      V    12_B     0.288     0    0.049   0.278     0.950   97.619   97.279
LGA    Q    13_H      Q    13_B     0.205     0    0.036   1.352     4.166   97.619   80.370
LGA    A    14_H      A    14_B     0.371     0    0.026   0.041     0.473  100.000  100.000
LGA    G    15_H      G    15_B     0.296     0    0.162   0.162     0.665   97.619   97.619
LGA    G    16_H      G    16_B     0.304     0    0.055   0.055     0.529   97.619   97.619
LGA    S    17_H      S    17_B     0.332     0    0.049   0.212     0.602  100.000   98.413
LGA    L    18_H      L    18_B     0.340     0    0.044   0.372     1.864  100.000   90.893
LGA    R    19_H      R    19_B     0.470     0    0.076   1.979     7.327  100.000   69.091
LGA    L    20_H      L    20_B     0.382     0    0.068   0.371     1.205   97.619   95.298
LGA    S    21_H      S    21_B     0.207     0    0.032   0.202     0.654  100.000   98.413
LGA    C    22_H      C    22_B     0.230     0    0.020   0.079     0.472  100.000  100.000
LGA    A    23_H      A    23_B     0.284     0    0.029   0.035     0.456  100.000  100.000
LGA    A    24_H      A    24_B     0.432     0    0.021   0.033     0.630  100.000   98.095
LGA    S    25_H      S    25_B     0.218     0    0.060   0.168     0.515  100.000   98.413
LGA    G    26_H      G    26_B     0.403     0    0.085   0.085     0.403  100.000  100.000
LGA    F    27_H      F    27_B     0.209     0    0.034   0.065     0.294  100.000  100.000
LGA    I    28_H      I    28_B     0.388     0    0.053   1.287     2.904   97.619   82.738
LGA    F    29_H      F    29_B     0.505     0    0.035   0.186     0.652   97.619   95.671
LGA    H    30_H      H    30_B     0.324     0    0.111   0.228     1.537   97.619   90.714
LGA    N    31_H      N    31_B     0.528     0    0.016   0.210     1.025   92.857   90.536
LGA    F    32_H      F    32_B     0.463     0    0.069   0.447     1.775   95.238   89.004
LGA    D    33_H      D    33_B     0.611     0    0.050   0.629     1.942   90.476   87.143
LGA    M    34_H      M    34_B     0.568     0    0.090   0.253     0.772   97.619   94.048
LGA    G    35_H      G    35_B     0.578     0    0.048   0.048     0.578   95.238   95.238
LGA    W    36_H      W    36_B     0.463     0    0.052   0.078     0.570   92.857   97.959
LGA    Y    37_H      Y    37_B     0.509     0    0.028   0.250     1.983   97.619   86.230
LGA    R    38_H      R    38_B     0.492     0    0.008   0.442     1.621  100.000   92.511
LGA    Q    39_H      Q    39_B     0.742     0    0.080   0.389     2.336   88.214   81.799
LGA    A    40_H      A    40_B     1.020     0    0.069   0.076     1.020   88.214   88.667
LGA    P    41_H      P    41_B     1.120     0    0.049   0.385     1.299   88.333   85.374
LGA    G    42_H      G    42_B     1.181     0    0.267   0.267     1.362   81.429   81.429
LGA    K    43_H      K    43_B     1.045     0    0.049   0.982     5.454   85.952   73.122
LGA    E    44_H      E    44_B     0.553     0    0.050   1.249     5.849   90.476   66.455
LGA    R    45_H      R    45_B     0.601     0    0.123   1.125     4.459   88.214   71.039
LGA    E    46_H      E    46_B     0.543     0    0.068   0.823     2.834   92.857   82.910
LGA    F    47_H      F    47_B     0.395     0    0.040   0.107     0.741  100.000   95.671
LGA    V    48_H      V    48_B     0.401     0    0.025   0.061     0.438  100.000  100.000
LGA    A    49_H      A    49_B     0.392     0    0.028   0.032     0.663   97.619   96.190
LGA    A    50_H      A    50_B     0.616     0    0.102   0.153     1.209   95.238   92.476
LGA    I    51_H      I    51_B     0.243     0    0.071   0.418     0.830   97.619   95.238
LGA    S    52_H      S    52_B     0.565     0    0.075   0.103     1.023   97.619   93.730
LGA    D    53_H      D    53_B     0.422     0    0.087   0.315     1.052   92.976   92.917
LGA    N    54_H      N    54_B     0.745     0    0.311   0.435     2.427   84.167   86.190
LGA    G    55_H      G    55_B     0.356     0    0.063   0.063     0.409  100.000  100.000
LGA    R    56_H      R    56_B     0.672     0    0.016   1.139     3.142   92.857   82.814
LGA    S    57_H      S    57_B     0.511     0    0.005   0.148     0.639   97.619   95.238
LGA    T    58_H      T    58_B     0.154     0    0.112   0.254     0.550  100.000   98.639
LGA    Y    59_H      Y    59_B     0.603     0    0.026   1.275     8.750   97.619   57.500
LGA    Y    60_H      Y    60_B     0.346     0    0.042   0.057     0.618  100.000   96.825
LGA    A    61_H      A    61_B     0.317     0    0.077   0.081     0.462  100.000  100.000
LGA    D    62_H      D    62_B     0.206     0    0.084   0.339     1.108   97.619   96.488
LGA    S    63_H      S    63_B     0.637     0    0.183   0.535     3.058   97.619   86.984
LGA    V    64_H      V    64_B     0.246     0    0.049   0.089     0.446  100.000  100.000
LGA    K    65_H      K    65_B     0.280     0    0.029   0.836     4.353  100.000   85.926
LGA    G    66_H      G    66_B     0.322     0    0.169   0.169     0.976   97.619   97.619
LGA    R    67_H      R    67_B     0.254     0    0.080   0.513     1.549  100.000   97.532
LGA    F    68_H      F    68_B     0.154     0    0.068   0.229     0.669  100.000   98.268
LGA    T    69_H      T    69_B     0.282     0    0.021   0.064     0.526  100.000   98.639
LGA    I    70_H      I    70_B     0.271     0    0.077   0.208     0.455  100.000  100.000
LGA    S    71_H      S    71_B     0.495     0    0.019   0.277     1.219   95.238   92.143
LGA    R    72_H      R    72_B     0.250     0    0.012   0.219     1.122  100.000   94.892
LGA    D    73_H      D    73_B     0.128     0    0.036   0.192     0.563  100.000   98.810
LGA    N    74_H      N    74_B     0.266     0    0.066   1.090     2.621   97.619   88.869
LGA    A    75_H      A    75_B     0.286     0    0.056   0.059     0.488  100.000  100.000
LGA    K    76_H      K    76_B     0.152     0    0.076   0.460     1.503  100.000   93.810
LGA    N    77_H      N    77_B     0.194     0    0.072   0.397     1.637  100.000   94.226
LGA    T    78_H      T    78_B     0.155     0    0.048   1.143     2.610  100.000   88.844
LGA    V    79_H      V    79_B     0.128     0    0.022   0.113     0.286  100.000  100.000
LGA    Y    80_H      Y    80_B     0.086     0    0.035   0.101     0.420  100.000  100.000
LGA    L    81_H      L    81_B     0.101     0    0.027   0.113     0.307  100.000  100.000
LGA    Q    82_H      Q    82_B     0.120     0    0.016   0.790     2.527  100.000   89.101
LGA    M    83_H      M    83_B     0.284     0    0.037   0.202     0.686  100.000   98.810
LGA    N    84_H      N    84_B     0.311     0    0.023   0.160     0.471  100.000  100.000
LGA    S    85_H      S    85_B     0.291     0    0.080   0.682     2.096  100.000   94.127
LGA    L    86_H      L    86_B     0.290     0    0.091   0.371     1.269  100.000   97.679
LGA    K    87_H      K    87_B     0.286     0    0.031   0.828     1.974  100.000   89.841
LGA    P    88_H      P    88_B     0.413     0    0.135   0.388     0.974  100.000   97.279
LGA    E    89_H      E    89_B     0.079     0    0.069   0.582     1.586  100.000   92.804
LGA    D    90_H      D    90_B     0.289     0    0.064   0.299     1.113   97.619   95.298
LGA    T    91_H      T    91_B     0.223     0    0.072   0.124     0.464  100.000  100.000
LGA    A    92_H      A    92_B     0.207     0    0.043   0.059     0.322  100.000  100.000
LGA    V    93_H      V    93_B     0.347     0    0.025   0.166     0.557  100.000   98.639
LGA    Y    94_H      Y    94_B     0.223     0    0.076   0.149     0.542  100.000   99.206
LGA    Y    95_H      Y    95_B     0.607     0    0.075   0.218     1.660   90.476   85.992
LGA    C    96_H      C    96_B     0.851     0    0.058   0.694     1.331   88.214   85.952
LGA    A    97_H      A    97_B     0.135     0    0.121   0.161     0.759   95.238   94.286
LGA    V    98_H      V    98_B     1.425     0    0.069   0.124     2.865   73.452   68.639
LGA    A    99_H      A    99_B     2.855     0    0.065   0.061     3.760   52.143   56.286
LGA    W   100_H      W   100_B     6.408     0    0.230   0.956    14.628   20.476    6.497
LGA    L   101_H      L   101_B     3.926     0    0.637   1.215     5.905   42.024   36.548
LGA    S   102_H      S   102_B     5.692     0    0.335   0.580     9.710   14.524   17.619
LGA    I   103_H      I   103_B    10.820     0    0.035   0.197    13.434    1.190    0.595
LGA    P   104_H      P   104_B    16.584     0    0.250   0.316    18.951    0.000    0.000
LGA    D   105_H      D   105_B    17.351     0    0.094   1.192    23.050    0.000    0.000
LGA    L   106_H      L   106_B    13.870     0    0.474   0.444    15.165    0.000    0.000
LGA    A   107_H      A   107_B    14.319     0    0.092   0.086    16.277    0.000    0.000
LGA    E   108_H      E   108_B    12.170     0    0.221   0.520    18.433    0.000    0.000
LGA    W   109_H      W   109_B     7.575     0    0.288   1.154    16.919    6.429    2.177
LGA    Y   110_H      Y   110_B     7.892     0    0.576   1.098    18.602    9.643    3.333
LGA    D   111_H      D   111_B     5.845     0    0.027   0.273     9.181   28.333   17.976
LGA    Y   112_H      Y   112_B     1.040     0    0.548   1.206     3.066   81.786   76.984
LGA    W   113_H      W   113_B     0.350     0    0.034   0.321     1.534  100.000   88.707
LGA    G   114_H      G   114_B     0.306     0    0.014   0.014     0.339  100.000  100.000
LGA    Q   115_H      Q   115_B     0.412     0    0.027   0.780     2.794  100.000   88.042
LGA    G   116_H      G   116_B     0.129     0    0.033   0.033     0.523   97.619   97.619
LGA    T   117_H      T   117_B     0.180     0    0.126   0.118     0.445  100.000  100.000
LGA    Q   118_H      Q   118_B     0.523     0    0.099   1.071     2.795   97.619   85.132
LGA    V   119_H      V   119_B     0.276     0    0.072   0.219     0.943   97.619   97.279
LGA    T   120_H      T   120_B     0.422     0    0.098   0.222     0.966   97.619   95.918
LGA    V   121_H      V   121_B     0.324     0    0.076   0.221     1.040   97.619   94.626
LGA    S   122_H      S   122_B     0.608     0    0.059   0.753     3.124   95.238   86.905
LGA    S   123_H      S   123_B     0.180     0    0.500   0.526     1.779   90.833   90.714

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      123     492    492  100.00     960    960  100.00               123
SUMMARY(RMSD_GDC):     3.229          3.150                  4.062           87.864   83.505

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  123    4.0    114    1.00    91.870    87.039    10.336

LGA_LOCAL      RMSD:   1.003  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.509  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.229  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.948170 * X  +  -0.317762 * Y  +   0.001105 * Z  +  38.354156
  Y_new =  -0.295160 * X  +   0.882006 * Y  +   0.367351 * Z  + -20.491148
  Z_new =  -0.117705 * X  +   0.347985 * Y  +  -0.930082 * Z  + -29.887403 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.839806  0.117978  2.783572   [DEG: -162.7089    6.7597  159.4870 ]
ZXZ:  3.138585  2.765432 -0.326166   [DEG:  179.8277  158.4476  -18.6879 ]
 
# END of job
