
#######################################################
#                                                     #
#                        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       3.07     3.07
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       1.57     3.31
  LCS_AVERAGE:     71.69

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       1_B - 101_B       0.95     3.43
  LCS_AVERAGE:     68.62

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     69  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     V     2_H     V     2_B    101  103  123     79  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     Q     3_H     Q     3_B    101  103  123     91  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     L     4_H     L     4_B    101  103  123     91  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     V     5_H     V     5_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     E     6_H     E     6_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     S     7_H     S     7_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     G     8_H     G     8_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     G     9_H     G     9_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     G    10_H     G    10_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     L    11_H     L    11_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     V    12_H     V    12_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     Q    13_H     Q    13_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     A    14_H     A    14_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     G    15_H     G    15_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     G    16_H     G    16_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     S    17_H     S    17_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     L    18_H     L    18_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     R    19_H     R    19_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     L    20_H     L    20_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     S    21_H     S    21_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     C    22_H     C    22_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     A    23_H     A    23_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     A    24_H     A    24_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     S    25_H     S    25_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     G    26_H     G    26_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     F    27_H     F    27_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     I    28_H     I    28_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     F    29_H     F    29_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     H    30_H     H    30_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     N    31_H     N    31_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     F    32_H     F    32_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     D    33_H     D    33_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     M    34_H     M    34_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     G    35_H     G    35_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     W    36_H     W    36_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     Y    37_H     Y    37_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     R    38_H     R    38_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     Q    39_H     Q    39_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     A    40_H     A    40_B    101  103  123     89  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     P    41_H     P    41_B    101  103  123     93  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     G    42_H     G    42_B    101  103  123      8  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     K    43_H     K    43_B    101  103  123      8  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     E    44_H     E    44_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     R    45_H     R    45_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     E    46_H     E    46_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     F    47_H     F    47_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     V    48_H     V    48_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     A    49_H     A    49_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     A    50_H     A    50_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     I    51_H     I    51_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     S    52_H     S    52_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     D    53_H     D    53_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     N    54_H     N    54_B    101  103  123     13  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     G    55_H     G    55_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     R    56_H     R    56_B    101  103  123     93  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     S    57_H     S    57_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     T    58_H     T    58_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     Y    59_H     Y    59_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     Y    60_H     Y    60_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     A    61_H     A    61_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     D    62_H     D    62_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     S    63_H     S    63_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     V    64_H     V    64_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     K    65_H     K    65_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     G    66_H     G    66_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     R    67_H     R    67_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     F    68_H     F    68_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     T    69_H     T    69_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     I    70_H     I    70_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     S    71_H     S    71_B    101  103  123     87  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     R    72_H     R    72_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     D    73_H     D    73_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     N    74_H     N    74_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     A    75_H     A    75_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     K    76_H     K    76_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     N    77_H     N    77_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     T    78_H     T    78_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     V    79_H     V    79_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     Y    80_H     Y    80_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     L    81_H     L    81_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     Q    82_H     Q    82_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     M    83_H     M    83_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     N    84_H     N    84_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     S    85_H     S    85_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     L    86_H     L    86_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     K    87_H     K    87_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     P    88_H     P    88_B    101  103  123     92  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     E    89_H     E    89_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     D    90_H     D    90_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     T    91_H     T    91_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     A    92_H     A    92_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     V    93_H     V    93_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     Y    94_H     Y    94_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     Y    95_H     Y    95_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     C    96_H     C    96_B    101  103  123     47  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     A    97_H     A    97_B    101  103  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     V    98_H     V    98_B    101  103  123      7  107  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     A    99_H     A    99_B    101  103  123      3    5   10   88  111  112  112  113  115  116  116  117  119  119  119  120  121  121  122  122 
LCS_GDT     W   100_H     W   100_B    101  103  123      3    4    4    6   11   21   60   84  112  114  115  117  117  117  118  120  121  121  122  122 
LCS_GDT     L   101_H     L   101_B    101  103  123      3    4   34   95  110  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     S   102_H     S   102_B      3  103  123      3    3   31   46   71  101  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     I   103_H     I   103_B      4  103  123      3    4    4    6    6   33   44   55   69  100  115  118  119  119  119  120  121  121  122  122 
LCS_GDT     P   104_H     P   104_B      4    7  123      3    4    4    6    6    8    9   10   13   17   26   52   65   82  105  114  120  121  122  122 
LCS_GDT     D   105_H     D   105_B      4    7  123      3    4    4    6    6    8   10   12   22   41   50   69   88  103  113  117  120  121  122  122 
LCS_GDT     L   106_H     L   106_B      4    7  123      3    4    4   15   25   36   47   57   77   98  115  118  119  119  119  120  121  121  122  122 
LCS_GDT     A   107_H     A   107_B      4    7  123      3    4    4    6    7   11   18   33   45   59   74   92  103  109  118  120  121  121  122  122 
LCS_GDT     E   108_H     E   108_B      4    7  123      3    4    6    9   24   35   47   73   91  105  115  118  119  119  119  120  121  121  122  122 
LCS_GDT     W   109_H     W   109_B      4    6  123      3   16   33   52   86  108  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     Y   110_H     Y   110_B      3   14  123      3    3    5    7    8   74  101  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     D   111_H     D   111_B      3   14  123      7   20   40   73  106  111  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     Y   112_H     Y   112_B     12   14  123     30  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     W   113_H     W   113_B     12   14  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     G   114_H     G   114_B     12   14  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     Q   115_H     Q   115_B     12   14  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     G   116_H     G   116_B     12   14  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     T   117_H     T   117_B     12   14  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     Q   118_H     Q   118_B     12   14  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     V   119_H     V   119_B     12   14  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     T   120_H     T   120_B     12   14  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     V   121_H     V   121_B     12   14  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     S   122_H     S   122_B     12   14  123     93  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_GDT     S   123_H     S   123_B     12   14  123     94  109  110  110  111  112  112  114  115  116  116  118  119  119  119  120  121  121  122  122 
LCS_AVERAGE  LCS_A:  80.10  (  68.62   71.69  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    111    112    112    114    115    116    116    118    119    119    119    120    121    121    122    122 
GDT PERCENT_AT  76.42  88.62  89.43  89.43  90.24  91.06  91.06  92.68  93.50  94.31  94.31  95.93  96.75  96.75  96.75  97.56  98.37  98.37  99.19  99.19
GDT RMS_LOCAL    0.32   0.41   0.43   0.43   0.51   0.66   0.66   1.15   1.18   1.34   1.34   2.10   2.12   2.12   2.12   2.21   2.47   2.47   2.79   2.79
GDT RMS_ALL_AT   3.43   3.42   3.43   3.43   3.44   3.43   3.43   3.28   3.30   3.26   3.26   3.12   3.13   3.13   3.13   3.13   3.11   3.11   3.08   3.08

# 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     0.542     0    0.675   1.079     9.267   84.048   47.884
LGA    V     2_H      V     2_B     0.513     0    0.052   0.203     0.813   97.619   94.558
LGA    Q     3_H      Q     3_B     0.447     0    0.072   0.375     2.575   95.238   84.074
LGA    L     4_H      L     4_B     0.687     0    0.076   0.162     0.886   90.476   90.476
LGA    V     5_H      V     5_B     0.609     0    0.120   0.120     0.938   90.476   91.837
LGA    E     6_H      E     6_B     0.486     0    0.052   0.252     0.918   97.619   93.651
LGA    S     7_H      S     7_B     0.534     0    0.030   0.142     0.865   92.857   92.063
LGA    G     8_H      G     8_B     0.560     0    0.059   0.059     0.748   92.857   92.857
LGA    G     9_H      G     9_B     0.211     0    0.035   0.035     0.685   97.619   97.619
LGA    G    10_H      G    10_B     0.516     0    0.160   0.160     0.705   95.238   95.238
LGA    L    11_H      L    11_B     0.106     0    0.020   0.617     1.554  100.000   94.286
LGA    V    12_H      V    12_B     0.355     0    0.050   0.294     1.039   97.619   95.986
LGA    Q    13_H      Q    13_B     0.384     0    0.038   0.853     3.262   97.619   87.143
LGA    A    14_H      A    14_B     0.441     0    0.025   0.041     0.478  100.000  100.000
LGA    G    15_H      G    15_B     0.328     0    0.172   0.172     0.834   97.619   97.619
LGA    G    16_H      G    16_B     0.323     0    0.057   0.057     0.501   97.619   97.619
LGA    S    17_H      S    17_B     0.336     0    0.046   0.190     0.566  100.000   98.413
LGA    L    18_H      L    18_B     0.285     0    0.052   0.380     1.804  100.000   90.893
LGA    R    19_H      R    19_B     0.441     0    0.081   1.945     7.147  100.000   69.697
LGA    L    20_H      L    20_B     0.364     0    0.064   0.363     1.179   97.619   95.298
LGA    S    21_H      S    21_B     0.123     0    0.076   0.755     2.622   97.619   91.270
LGA    C    22_H      C    22_B     0.238     0    0.017   0.094     0.659  100.000   98.413
LGA    A    23_H      A    23_B     0.204     0    0.028   0.035     0.440  100.000  100.000
LGA    A    24_H      A    24_B     0.421     0    0.023   0.038     0.700  100.000   98.095
LGA    S    25_H      S    25_B     0.127     0    0.060   0.232     0.924  100.000   98.413
LGA    G    26_H      G    26_B     0.546     0    0.085   0.085     0.546   97.619   97.619
LGA    F    27_H      F    27_B     0.362     0    0.029   0.071     0.467  100.000  100.000
LGA    I    28_H      I    28_B     0.516     0    0.080   1.303     3.107   92.857   77.381
LGA    F    29_H      F    29_B     0.641     0    0.040   0.186     0.800   92.857   93.074
LGA    H    30_H      H    30_B     0.358     0    0.088   1.159     3.278   97.619   86.190
LGA    N    31_H      N    31_B     0.534     0    0.047   0.227     1.041   92.857   90.536
LGA    F    32_H      F    32_B     0.526     0    0.058   0.284     0.948   90.476   90.476
LGA    D    33_H      D    33_B     0.771     0    0.047   0.678     2.091   88.214   85.000
LGA    M    34_H      M    34_B     0.627     0    0.102   0.270     0.750   90.476   90.476
LGA    G    35_H      G    35_B     0.693     0    0.042   0.042     0.693   90.476   90.476
LGA    W    36_H      W    36_B     0.556     0    0.056   0.080     0.680   90.476   97.279
LGA    Y    37_H      Y    37_B     0.657     0    0.037   0.274     1.718   90.476   86.032
LGA    R    38_H      R    38_B     0.491     0    0.015   0.374     1.429   97.619   92.338
LGA    Q    39_H      Q    39_B     0.682     0    0.070   0.417     2.318   90.476   84.656
LGA    A    40_H      A    40_B     0.658     0    0.074   0.084     0.704   90.476   90.476
LGA    P    41_H      P    41_B     0.856     0    0.056   0.387     1.451   90.476   89.184
LGA    G    42_H      G    42_B     1.545     0    0.258   0.258     1.545   79.286   79.286
LGA    K    43_H      K    43_B     1.406     0    0.057   0.984     5.699   79.286   66.878
LGA    E    44_H      E    44_B     0.668     0    0.047   1.130     4.842   88.214   75.767
LGA    R    45_H      R    45_B     0.713     0    0.137   1.175     4.465   88.214   71.645
LGA    E    46_H      E    46_B     0.640     0    0.036   0.821     3.583   90.476   71.799
LGA    F    47_H      F    47_B     0.531     0    0.042   0.117     0.747   90.476   90.476
LGA    V    48_H      V    48_B     0.535     0    0.021   0.065     0.577   92.857   94.558
LGA    A    49_H      A    49_B     0.414     0    0.024   0.030     0.760   97.619   96.190
LGA    A    50_H      A    50_B     0.776     0    0.112   0.165     1.460   90.476   88.667
LGA    I    51_H      I    51_B     0.364     0    0.066   0.422     0.828   97.619   96.429
LGA    S    52_H      S    52_B     0.728     0    0.074   0.103     1.245   95.238   90.635
LGA    D    53_H      D    53_B     0.474     0    0.076   0.266     1.010   90.595   90.536
LGA    N    54_H      N    54_B     0.891     0    0.314   0.443     2.504   79.881   81.786
LGA    G    55_H      G    55_B     0.509     0    0.062   0.062     0.595   90.476   90.476
LGA    R    56_H      R    56_B     0.930     0    0.019   1.129     2.692   90.476   81.039
LGA    S    57_H      S    57_B     0.737     0    0.011   0.148     0.900   92.857   92.063
LGA    T    58_H      T    58_B     0.280     0    0.147   0.316     0.652   97.619   95.918
LGA    Y    59_H      Y    59_B     0.735     0    0.017   1.277     8.887   92.857   55.437
LGA    Y    60_H      Y    60_B     0.490     0    0.034   0.045     0.684   92.857   92.857
LGA    A    61_H      A    61_B     0.396     0    0.077   0.080     0.585   95.238   96.190
LGA    D    62_H      D    62_B     0.291     0    0.084   0.324     0.988   97.619   96.429
LGA    S    63_H      S    63_B     0.620     0    0.189   0.535     3.085   97.619   86.984
LGA    V    64_H      V    64_B     0.264     0    0.051   0.087     0.571  100.000   98.639
LGA    K    65_H      K    65_B     0.377     0    0.026   0.839     4.472  100.000   84.868
LGA    G    66_H      G    66_B     0.484     0    0.172   0.172     1.043   92.976   92.976
LGA    R    67_H      R    67_B     0.336     0    0.086   0.508     1.464   97.619   97.446
LGA    F    68_H      F    68_B     0.204     0    0.047   0.199     0.677  100.000   97.403
LGA    T    69_H      T    69_B     0.287     0    0.016   0.046     0.594  100.000   98.639
LGA    I    70_H      I    70_B     0.249     0    0.070   0.208     0.462  100.000  100.000
LGA    S    71_H      S    71_B     0.404     0    0.017   0.274     1.100   97.619   93.730
LGA    R    72_H      R    72_B     0.162     0    0.014   0.219     1.051  100.000   95.714
LGA    D    73_H      D    73_B     0.188     0    0.037   0.192     0.537  100.000   98.810
LGA    N    74_H      N    74_B     0.375     0    0.061   1.085     2.577   97.619   86.667
LGA    A    75_H      A    75_B     0.312     0    0.046   0.050     0.502   97.619   98.095
LGA    K    76_H      K    76_B     0.137     0    0.068   0.487     1.636  100.000   92.804
LGA    N    77_H      N    77_B     0.317     0    0.065   0.434     1.892  100.000   94.226
LGA    T    78_H      T    78_B     0.250     0    0.050   1.146     2.622  100.000   88.844
LGA    V    79_H      V    79_B     0.210     0    0.017   0.138     0.505  100.000   98.639
LGA    Y    80_H      Y    80_B     0.178     0    0.033   0.080     0.399  100.000  100.000
LGA    L    81_H      L    81_B     0.202     0    0.029   0.098     0.310  100.000  100.000
LGA    Q    82_H      Q    82_B     0.073     0    0.015   0.787     2.425  100.000   89.947
LGA    M    83_H      M    83_B     0.255     0    0.021   0.189     0.667  100.000   97.619
LGA    N    84_H      N    84_B     0.382     0    0.025   0.201     0.608  100.000   98.810
LGA    S    85_H      S    85_B     0.385     0    0.078   0.678     2.179   97.619   92.540
LGA    L    86_H      L    86_B     0.312     0    0.099   0.388     1.280  100.000   97.679
LGA    K    87_H      K    87_B     0.502     0    0.034   0.837     2.062   95.238   86.825
LGA    P    88_H      P    88_B     0.638     0    0.138   0.387     0.871   92.857   91.837
LGA    E    89_H      E    89_B     0.197     0    0.056   0.560     1.347  100.000   94.815
LGA    D    90_H      D    90_B     0.258     0    0.053   0.302     1.227  100.000   97.679
LGA    T    91_H      T    91_B     0.221     0    0.065   0.133     0.555  100.000   98.639
LGA    A    92_H      A    92_B     0.235     0    0.040   0.055     0.386  100.000  100.000
LGA    V    93_H      V    93_B     0.471     0    0.026   0.180     0.815   97.619   97.279
LGA    Y    94_H      Y    94_B     0.257     0    0.056   0.143     0.507  100.000   99.206
LGA    Y    95_H      Y    95_B     0.668     0    0.091   0.240     1.584   90.476   86.746
LGA    C    96_H      C    96_B     0.833     0    0.080   0.217     1.039   88.214   88.968
LGA    A    97_H      A    97_B     0.376     0    0.110   0.150     0.866   92.857   94.286
LGA    V    98_H      V    98_B     1.671     0    0.051   0.087     3.048   69.048   65.102
LGA    A    99_H      A    99_B     3.158     0    0.079   0.075     4.041   48.810   52.000
LGA    W   100_H      W   100_B     6.890     0    0.293   1.130    14.112   16.310    5.204
LGA    L   101_H      L   101_B     4.244     0    0.638   1.244     5.244   34.524   35.595
LGA    S   102_H      S   102_B     6.147     0    0.468   0.713     9.305   13.690   14.921
LGA    I   103_H      I   103_B    10.689     0    0.069   0.076    13.685    0.714    1.071
LGA    P   104_H      P   104_B    16.351     0    0.058   0.159    18.672    0.000    0.000
LGA    D   105_H      D   105_B    16.133     0    0.437   1.259    21.850    0.000    0.000
LGA    L   106_H      L   106_B    11.124     0    0.261   0.344    13.102    0.000    0.476
LGA    A   107_H      A   107_B    13.283     0    0.039   0.043    15.321    0.000    0.000
LGA    E   108_H      E   108_B    11.248     0    0.185   0.532    17.675    0.714    0.317
LGA    W   109_H      W   109_B     6.136     0    0.340   0.474    14.217   14.643    5.238
LGA    Y   110_H      Y   110_B     7.019     0    0.585   1.164    17.586   16.548    5.913
LGA    D   111_H      D   111_B     4.949     0    0.030   0.234     7.907   35.000   25.238
LGA    Y   112_H      Y   112_B     1.157     0    0.527   1.216     3.511   83.810   73.730
LGA    W   113_H      W   113_B     0.726     0    0.037   0.312     1.774   90.476   85.374
LGA    G   114_H      G   114_B     0.664     0    0.019   0.019     0.726   90.476   90.476
LGA    Q   115_H      Q   115_B     0.785     0    0.026   0.729     2.108   90.476   85.608
LGA    G   116_H      G   116_B     0.175     0    0.033   0.033     0.611   97.619   97.619
LGA    T   117_H      T   117_B     0.266     0    0.118   0.132     0.537   97.619   98.639
LGA    Q   118_H      Q   118_B     0.564     0    0.114   1.073     2.646   97.619   84.286
LGA    V   119_H      V   119_B     0.260     0    0.060   0.208     0.931   97.619   97.279
LGA    T   120_H      T   120_B     0.417     0    0.090   0.225     0.969   97.619   95.918
LGA    V   121_H      V   121_B     0.290     0    0.084   0.230     1.062   97.619   94.626
LGA    S   122_H      S   122_B     0.518     0    0.089   0.796     3.211   97.619   88.492
LGA    S   123_H      S   123_B     0.205     0    0.505   0.525     1.721   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):     3.074          3.037                  3.869           86.413   82.446

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  123    4.0    114    1.15    92.073    87.139     9.109

LGA_LOCAL      RMSD:   1.151  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.284  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.074  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.403393 * X  +   0.909703 * Y  +   0.098562 * Z  +  38.061737
  Y_new =   0.179918 * X  +  -0.026757 * Y  +   0.983318 * Z  + -19.866686
  Z_new =   0.897164 * X  +   0.414396 * Y  +  -0.152878 * Z  + -30.035215 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.722061 -1.113307  1.924224   [DEG:  155.9626  -63.7878  110.2499 ]
ZXZ:  3.041692  1.724276  1.138094   [DEG:  174.2761   98.7937   65.2080 ]
 
# END of job
