
#######################################################
#                                                     #
#                        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       3.09     3.09
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       1.45     3.30
  LCS_AVERAGE:     71.54

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       1_B - 101_B       0.87     3.41
  LCS_AVERAGE:     68.71

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     89  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     V     2_H     V     2_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Q     3_H     Q     3_B    101  103  123     93  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     L     4_H     L     4_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     V     5_H     V     5_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     E     6_H     E     6_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     S     7_H     S     7_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     G     8_H     G     8_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     G     9_H     G     9_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     G    10_H     G    10_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     L    11_H     L    11_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     V    12_H     V    12_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Q    13_H     Q    13_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     A    14_H     A    14_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     G    15_H     G    15_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     G    16_H     G    16_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     S    17_H     S    17_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     L    18_H     L    18_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     R    19_H     R    19_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     L    20_H     L    20_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     S    21_H     S    21_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     C    22_H     C    22_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     A    23_H     A    23_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     A    24_H     A    24_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     S    25_H     S    25_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     G    26_H     G    26_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     F    27_H     F    27_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     I    28_H     I    28_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     F    29_H     F    29_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     H    30_H     H    30_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     N    31_H     N    31_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     F    32_H     F    32_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     D    33_H     D    33_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     M    34_H     M    34_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     G    35_H     G    35_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     W    36_H     W    36_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Y    37_H     Y    37_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     R    38_H     R    38_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Q    39_H     Q    39_B    101  103  123     93  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     A    40_H     A    40_B    101  103  123     43  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     P    41_H     P    41_B    101  103  123     46  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     G    42_H     G    42_B    101  103  123     40  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     K    43_H     K    43_B    101  103  123     30  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     E    44_H     E    44_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     R    45_H     R    45_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     E    46_H     E    46_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     F    47_H     F    47_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     V    48_H     V    48_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     A    49_H     A    49_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     A    50_H     A    50_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     I    51_H     I    51_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     S    52_H     S    52_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     D    53_H     D    53_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     N    54_H     N    54_B    101  103  123     13  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     G    55_H     G    55_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     R    56_H     R    56_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     S    57_H     S    57_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     T    58_H     T    58_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Y    59_H     Y    59_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Y    60_H     Y    60_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     A    61_H     A    61_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     D    62_H     D    62_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     S    63_H     S    63_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     V    64_H     V    64_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     K    65_H     K    65_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     G    66_H     G    66_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     R    67_H     R    67_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     F    68_H     F    68_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     T    69_H     T    69_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     I    70_H     I    70_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     S    71_H     S    71_B    101  103  123     86  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     R    72_H     R    72_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     D    73_H     D    73_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     N    74_H     N    74_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     A    75_H     A    75_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     K    76_H     K    76_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     N    77_H     N    77_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     T    78_H     T    78_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     V    79_H     V    79_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Y    80_H     Y    80_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     L    81_H     L    81_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Q    82_H     Q    82_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     M    83_H     M    83_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     N    84_H     N    84_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     S    85_H     S    85_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     L    86_H     L    86_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     K    87_H     K    87_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     P    88_H     P    88_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     E    89_H     E    89_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     D    90_H     D    90_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     T    91_H     T    91_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     A    92_H     A    92_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     V    93_H     V    93_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Y    94_H     Y    94_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Y    95_H     Y    95_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     C    96_H     C    96_B    101  103  123     93  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     A    97_H     A    97_B    101  103  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     V    98_H     V    98_B    101  103  123      7  108  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     A    99_H     A    99_B    101  103  123      3    5   14   64  112  112  112  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     W   100_H     W   100_B    101  103  123      3    4    5    6   11   45   90  109  111  113  114  117  117  117  119  120  120  121  121  122 
LCS_GDT     L   101_H     L   101_B    101  103  123      4    6   79  108  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     S   102_H     S   102_B      6  103  123      4   17   35   56   87  110  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     I   103_H     I   103_B      6  103  123      4    6    6    6    6   32   40   54   96  112  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     P   104_H     P   104_B      6    7  123      4    6    6    6    8    9   17   22   29   45   54   57   79  102  110  114  117  121  122  122 
LCS_GDT     D   105_H     D   105_B      6    7  123      3    6    6    6    6    7   11   13   21   29   40   51   60   72   90  105  113  120  122  122 
LCS_GDT     L   106_H     L   106_B      6    7  123      3    6    9   14   19   31   38   51   65   78   90  111  118  119  119  120  120  121  122  122 
LCS_GDT     A   107_H     A   107_B      4    7  123      3    4    4    5    6    7   11   21   30   45   59   70   95  105  110  117  120  121  122  122 
LCS_GDT     E   108_H     E   108_B      4    6  123      3    4    5   14   22   32   45   56   91  104  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     W   109_H     W   109_B      4    6  123      3    4    4    7   54   77  102  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Y   110_H     Y   110_B      4    6  123      3    3    5    6    8   11   46   89  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     D   111_H     D   111_B      4   13  123      3   17   35   57   89  110  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Y   112_H     Y   112_B     12   13  123     46  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     W   113_H     W   113_B     12   13  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     G   114_H     G   114_B     12   13  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Q   115_H     Q   115_B     12   13  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     G   116_H     G   116_B     12   13  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     T   117_H     T   117_B     12   13  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     Q   118_H     Q   118_B     12   13  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     V   119_H     V   119_B     12   13  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     T   120_H     T   120_B     12   13  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     V   121_H     V   121_B     12   13  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     S   122_H     S   122_B     12   13  123     96  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_GDT     S   123_H     S   123_B     12   13  123     97  109  110  110  112  112  113  113  114  115  116  117  118  119  119  120  120  121  122  122 
LCS_AVERAGE  LCS_A:  80.08  (  68.71   71.54  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     97    109    110    110    112    112    113    113    114    115    116    117    118    119    119    120    120    121    122    122 
GDT PERCENT_AT  78.86  88.62  89.43  89.43  91.06  91.06  91.87  91.87  92.68  93.50  94.31  95.12  95.93  96.75  96.75  97.56  97.56  98.37  99.19  99.19
GDT RMS_LOCAL    0.31   0.38   0.40   0.40   0.60   0.60   0.95   0.82   0.99   1.22   1.41   1.52   1.90   2.14   2.14   2.22   2.22   2.47   3.03   3.03
GDT RMS_ALL_AT   3.39   3.38   3.39   3.39   3.39   3.39   3.30   3.35   3.31   3.27   3.23   3.25   3.15   3.12   3.12   3.13   3.13   3.11   3.09   3.09

# 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:  D    33_H      D    33_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     0.659     0    0.673   1.067     8.741   82.143   47.725
LGA    V     2_H      V     2_B     0.458     0    0.054   0.195     0.665  100.000   97.279
LGA    Q     3_H      Q     3_B     0.541     0    0.082   0.396     2.289   90.476   82.804
LGA    L     4_H      L     4_B     0.544     0    0.059   0.146     0.699   90.476   91.667
LGA    V     5_H      V     5_B     0.307     0    0.108   0.115     0.631   97.619   98.639
LGA    E     6_H      E     6_B     0.295     0    0.050   0.240     0.842   97.619   96.825
LGA    S     7_H      S     7_B     0.330     0    0.035   0.133     0.623   97.619   95.238
LGA    G     8_H      G     8_B     0.383     0    0.073   0.073     0.805   97.619   97.619
LGA    G     9_H      G     9_B     0.330     0    0.030   0.030     0.647   97.619   97.619
LGA    G    10_H      G    10_B     0.229     0    0.151   0.151     0.659   97.619   97.619
LGA    L    11_H      L    11_B     0.181     0    0.023   0.614     1.603  100.000   94.286
LGA    V    12_H      V    12_B     0.336     0    0.054   0.296     1.052   97.619   95.986
LGA    Q    13_H      Q    13_B     0.205     0    0.035   1.347     4.168  100.000   81.429
LGA    A    14_H      A    14_B     0.401     0    0.027   0.038     0.526  100.000   98.095
LGA    G    15_H      G    15_B     0.295     0    0.167   0.167     0.707   97.619   97.619
LGA    G    16_H      G    16_B     0.314     0    0.058   0.058     0.539   97.619   97.619
LGA    S    17_H      S    17_B     0.257     0    0.036   0.793     2.676  100.000   92.857
LGA    L    18_H      L    18_B     0.326     0    0.058   0.373     1.847  100.000   90.893
LGA    R    19_H      R    19_B     0.518     0    0.068   1.968     7.254   95.238   67.100
LGA    L    20_H      L    20_B     0.386     0    0.066   0.357     1.096   97.619   95.298
LGA    S    21_H      S    21_B     0.246     0    0.050   0.302     0.898  100.000   98.413
LGA    C    22_H      C    22_B     0.317     0    0.027   0.097     0.635  100.000   98.413
LGA    A    23_H      A    23_B     0.386     0    0.028   0.035     0.438  100.000  100.000
LGA    A    24_H      A    24_B     0.468     0    0.021   0.030     0.600   97.619   96.190
LGA    S    25_H      S    25_B     0.229     0    0.057   0.206     0.669  100.000   98.413
LGA    G    26_H      G    26_B     0.460     0    0.085   0.085     0.460  100.000  100.000
LGA    F    27_H      F    27_B     0.180     0    0.038   0.079     0.230  100.000  100.000
LGA    I    28_H      I    28_B     0.144     0    0.079   1.301     2.787  100.000   83.929
LGA    F    29_H      F    29_B     0.291     0    0.040   0.173     0.791  100.000   97.403
LGA    H    30_H      H    30_B     0.338     0    0.111   0.252     1.440   97.619   91.571
LGA    N    31_H      N    31_B     0.437     0    0.027   0.219     0.756   95.238   96.429
LGA    F    32_H      F    32_B     0.481     0    0.071   0.477     1.911   97.619   90.736
LGA    D    33_H      D    33_B     0.503     0    0.052   0.720     1.791   90.476   86.071
LGA    M    34_H      M    34_B     0.469     0    0.105   0.230     0.653  100.000   97.619
LGA    G    35_H      G    35_B     0.465     0    0.037   0.037     0.465  100.000  100.000
LGA    W    36_H      W    36_B     0.407     0    0.047   0.083     0.524   97.619   99.320
LGA    Y    37_H      Y    37_B     0.465     0    0.027   0.212     1.732  100.000   88.452
LGA    R    38_H      R    38_B     0.479     0    0.002   0.404     1.404  100.000   94.892
LGA    Q    39_H      Q    39_B     0.641     0    0.076   0.372     2.050   90.476   85.714
LGA    A    40_H      A    40_B     0.843     0    0.070   0.078     0.843   90.476   90.476
LGA    P    41_H      P    41_B     0.781     0    0.046   0.384     1.083   92.857   90.544
LGA    G    42_H      G    42_B     1.124     0    0.266   0.266     1.180   83.690   83.690
LGA    K    43_H      K    43_B     1.041     0    0.052   0.967     5.639   85.952   72.593
LGA    E    44_H      E    44_B     0.362     0    0.053   1.238     6.049   92.857   66.243
LGA    R    45_H      R    45_B     0.472     0    0.127   1.116     4.142   92.976   72.554
LGA    E    46_H      E    46_B     0.441     0    0.072   0.835     2.790   97.619   85.026
LGA    F    47_H      F    47_B     0.319     0    0.042   0.117     0.643  100.000   97.403
LGA    V    48_H      V    48_B     0.331     0    0.023   0.062     0.424  100.000  100.000
LGA    A    49_H      A    49_B     0.354     0    0.030   0.034     0.759   97.619   96.190
LGA    A    50_H      A    50_B     0.492     0    0.100   0.149     1.050  100.000   96.286
LGA    I    51_H      I    51_B     0.157     0    0.072   0.416     0.772   97.619   95.238
LGA    S    52_H      S    52_B     0.444     0    0.077   0.098     0.980  100.000   96.825
LGA    D    53_H      D    53_B     0.393     0    0.081   0.327     1.093   92.976   94.107
LGA    N    54_H      N    54_B     0.886     0    0.314   0.430     2.556   82.262   84.107
LGA    G    55_H      G    55_B     0.405     0    0.063   0.063     0.405  100.000  100.000
LGA    R    56_H      R    56_B     0.558     0    0.022   1.135     3.217   95.238   83.680
LGA    S    57_H      S    57_B     0.302     0    0.003   0.149     0.544  100.000   98.413
LGA    T    58_H      T    58_B     0.086     0    0.106   0.257     0.614   97.619   97.279
LGA    Y    59_H      Y    59_B     0.396     0    0.017   1.282     8.697  100.000   58.929
LGA    Y    60_H      Y    60_B     0.229     0    0.048   0.054     0.501  100.000   99.206
LGA    A    61_H      A    61_B     0.171     0    0.073   0.075     0.331  100.000  100.000
LGA    D    62_H      D    62_B     0.169     0    0.083   0.329     1.360   97.619   95.298
LGA    S    63_H      S    63_B     0.504     0    0.183   0.538     3.076   97.619   86.984
LGA    V    64_H      V    64_B     0.228     0    0.050   0.096     0.553  100.000   98.639
LGA    K    65_H      K    65_B     0.165     0    0.028   0.843     4.359  100.000   86.984
LGA    G    66_H      G    66_B     0.283     0    0.176   0.176     1.052   95.357   95.357
LGA    R    67_H      R    67_B     0.209     0    0.090   0.506     1.578   97.619   96.667
LGA    F    68_H      F    68_B     0.299     0    0.046   0.205     0.699  100.000   97.403
LGA    T    69_H      T    69_B     0.366     0    0.016   0.058     0.556  100.000   98.639
LGA    I    70_H      I    70_B     0.362     0    0.076   0.216     0.498  100.000  100.000
LGA    S    71_H      S    71_B     0.526     0    0.020   0.251     1.091   92.857   90.556
LGA    R    72_H      R    72_B     0.252     0    0.010   0.225     1.259  100.000   93.203
LGA    D    73_H      D    73_B     0.087     0    0.035   0.183     0.434  100.000  100.000
LGA    N    74_H      N    74_B     0.313     0    0.077   1.077     2.654   97.619   87.679
LGA    A    75_H      A    75_B     0.342     0    0.045   0.048     0.417  100.000  100.000
LGA    K    76_H      K    76_B     0.249     0    0.071   0.337     1.413  100.000   94.762
LGA    N    77_H      N    77_B     0.253     0    0.063   0.430     1.535  100.000   94.226
LGA    T    78_H      T    78_B     0.080     0    0.055   1.147     2.638  100.000   88.844
LGA    V    79_H      V    79_B     0.164     0    0.025   0.070     0.280  100.000  100.000
LGA    Y    80_H      Y    80_B     0.134     0    0.031   0.107     0.325  100.000  100.000
LGA    L    81_H      L    81_B     0.174     0    0.028   0.111     0.240  100.000  100.000
LGA    Q    82_H      Q    82_B     0.105     0    0.019   0.752     2.446  100.000   89.947
LGA    M    83_H      M    83_B     0.210     0    0.027   0.183     0.630  100.000   98.810
LGA    N    84_H      N    84_B     0.283     0    0.027   0.126     0.392  100.000  100.000
LGA    S    85_H      S    85_B     0.251     0    0.080   0.680     2.183  100.000   94.127
LGA    L    86_H      L    86_B     0.254     0    0.081   0.386     1.389  100.000   96.488
LGA    K    87_H      K    87_B     0.291     0    0.032   0.812     2.020  100.000   89.947
LGA    P    88_H      P    88_B     0.404     0    0.134   0.388     1.021  100.000   97.347
LGA    E    89_H      E    89_B     0.176     0    0.075   0.572     1.596  100.000   92.804
LGA    D    90_H      D    90_B     0.258     0    0.065   0.317     1.099   97.619   95.298
LGA    T    91_H      T    91_B     0.210     0    0.067   0.123     0.472  100.000  100.000
LGA    A    92_H      A    92_B     0.222     0    0.041   0.056     0.299  100.000  100.000
LGA    V    93_H      V    93_B     0.309     0    0.028   0.179     0.580  100.000   97.279
LGA    Y    94_H      Y    94_B     0.251     0    0.067   0.151     0.536  100.000   99.206
LGA    Y    95_H      Y    95_B     0.529     0    0.083   0.220     1.384   90.476   88.214
LGA    C    96_H      C    96_B     0.633     0    0.085   0.183     0.945   90.476   90.476
LGA    A    97_H      A    97_B     0.140     0    0.108   0.142     0.742   95.238   94.286
LGA    V    98_H      V    98_B     1.367     0    0.064   0.119     2.765   73.452   68.639
LGA    A    99_H      A    99_B     2.857     0    0.062   0.060     3.724   54.167   57.905
LGA    W   100_H      W   100_B     6.350     0    0.190   1.040    13.910   20.476    6.769
LGA    L   101_H      L   101_B     3.570     0    0.647   1.224     4.925   41.905   42.321
LGA    S   102_H      S   102_B     5.870     0    0.245   0.223     9.953   14.524   17.778
LGA    I   103_H      I   103_B    10.302     0    0.108   0.334    13.167    1.190    0.595
LGA    P   104_H      P   104_B    15.336     0    0.155   0.425    17.463    0.000    0.000
LGA    D   105_H      D   105_B    17.454     0    0.577   1.180    23.149    0.000    0.000
LGA    L   106_H      L   106_B    12.081     0    0.562   0.514    13.942    0.000    0.179
LGA    A   107_H      A   107_B    13.276     0    0.027   0.036    15.077    0.000    0.000
LGA    E   108_H      E   108_B    11.355     0    0.242   0.561    18.126    0.238    0.106
LGA    W   109_H      W   109_B     8.075     0    0.186   1.221    17.098    5.119    1.667
LGA    Y   110_H      Y   110_B     8.226     0    0.587   1.074    18.906    8.214    2.778
LGA    D   111_H      D   111_B     6.045     0    0.026   0.153     9.595   24.762   15.536
LGA    Y   112_H      Y   112_B     0.882     0    0.550   1.164     2.465   84.048   82.659
LGA    W   113_H      W   113_B     0.219     0    0.032   0.313     1.417  100.000   91.327
LGA    G   114_H      G   114_B     0.142     0    0.017   0.017     0.267  100.000  100.000
LGA    Q   115_H      Q   115_B     0.374     0    0.035   0.757     2.740  100.000   88.042
LGA    G   116_H      G   116_B     0.223     0    0.054   0.054     0.727   97.619   97.619
LGA    T   117_H      T   117_B     0.330     0    0.133   0.126     0.420  100.000  100.000
LGA    Q   118_H      Q   118_B     0.520     0    0.094   1.065     2.805   95.238   83.175
LGA    V   119_H      V   119_B     0.309     0    0.070   0.202     0.874   97.619   97.279
LGA    T   120_H      T   120_B     0.374     0    0.108   0.214     0.900   97.619   97.279
LGA    V   121_H      V   121_B     0.358     0    0.074   0.222     1.064   97.619   94.626
LGA    S   122_H      S   122_B     0.522     0    0.060   0.757     2.978   97.619   89.683
LGA    S   123_H      S   123_B     0.148     0    0.502   0.525     1.844   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):     3.085          3.033                  3.944           88.258   84.006

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  123    4.0    113    0.82    91.870    87.020    12.327

LGA_LOCAL      RMSD:   0.817  Number of atoms:  113  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.352  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.085  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.940653 * X  +  -0.331624 * Y  +   0.072092 * Z  +  38.310379
  Y_new =  -0.304901 * X  +   0.919105 * Y  +   0.249564 * Z  + -19.911406
  Z_new =  -0.149022 * X  +   0.212772 * Y  +  -0.965671 * Z  + -30.194798 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.828141  0.149579  2.924722   [DEG: -162.0406    8.5703  167.5742 ]
ZXZ:  2.860375  2.878810 -0.610982   [DEG:  163.8874  164.9437  -35.0067 ]
 
# END of job
