
#######################################################
#                                                     #
#                        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       3.10     3.10
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104       1_B - 104_B       1.69     3.32
  LCS_AVERAGE:     72.93

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100       1_B - 100_B       0.85     3.36
  LCS_AVERAGE:     67.42

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    100  104  123     76  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     V     2_H     V     2_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     Q     3_H     Q     3_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     L     4_H     L     4_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     V     5_H     V     5_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     E     6_H     E     6_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     S     7_H     S     7_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     G     8_H     G     8_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     G     9_H     G     9_B    100  104  123     54  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     G    10_H     G    10_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     L    11_H     L    11_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     V    12_H     V    12_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     Q    13_H     Q    13_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     A    14_H     A    14_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     G    15_H     G    15_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     G    16_H     G    16_B    100  104  123     81  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     S    17_H     S    17_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     L    18_H     L    18_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     R    19_H     R    19_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     L    20_H     L    20_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     S    21_H     S    21_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     C    22_H     C    22_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     A    23_H     A    23_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     A    24_H     A    24_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     S    25_H     S    25_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     G    26_H     G    26_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     F    27_H     F    27_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     I    28_H     I    28_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     F    29_H     F    29_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     H    30_H     H    30_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     N    31_H     N    31_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     F    32_H     F    32_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     D    33_H     D    33_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     M    34_H     M    34_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     G    35_H     G    35_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     W    36_H     W    36_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     Y    37_H     Y    37_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     R    38_H     R    38_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     Q    39_H     Q    39_B    100  104  123     59  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     A    40_H     A    40_B    100  104  123     15   99  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     P    41_H     P    41_B    100  104  123      5   65  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     G    42_H     G    42_B    100  104  123      9   65  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     K    43_H     K    43_B    100  104  123     25  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     E    44_H     E    44_B    100  104  123     21  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     R    45_H     R    45_B    100  104  123     48  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     E    46_H     E    46_B    100  104  123     82  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     F    47_H     F    47_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     V    48_H     V    48_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     A    49_H     A    49_B    100  104  123     14  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     A    50_H     A    50_B    100  104  123     80  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     I    51_H     I    51_B    100  104  123     79  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     S    52_H     S    52_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     D    53_H     D    53_B    100  104  123     77  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     N    54_H     N    54_B    100  104  123     29  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     G    55_H     G    55_B    100  104  123     29  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     R    56_H     R    56_B    100  104  123      9  102  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     S    57_H     S    57_B    100  104  123     57  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     T    58_H     T    58_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     Y    59_H     Y    59_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     Y    60_H     Y    60_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     A    61_H     A    61_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     D    62_H     D    62_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     S    63_H     S    63_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     V    64_H     V    64_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     K    65_H     K    65_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     G    66_H     G    66_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     R    67_H     R    67_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     F    68_H     F    68_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     T    69_H     T    69_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     I    70_H     I    70_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     S    71_H     S    71_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     R    72_H     R    72_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     D    73_H     D    73_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     N    74_H     N    74_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     A    75_H     A    75_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     K    76_H     K    76_B    100  104  123     80  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     N    77_H     N    77_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     T    78_H     T    78_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     V    79_H     V    79_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     Y    80_H     Y    80_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     L    81_H     L    81_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     Q    82_H     Q    82_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     M    83_H     M    83_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     N    84_H     N    84_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     S    85_H     S    85_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     L    86_H     L    86_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     K    87_H     K    87_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     P    88_H     P    88_B    100  104  123     81  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     E    89_H     E    89_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     D    90_H     D    90_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     T    91_H     T    91_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     A    92_H     A    92_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     V    93_H     V    93_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     Y    94_H     Y    94_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     Y    95_H     Y    95_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     C    96_H     C    96_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     A    97_H     A    97_B    100  104  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     V    98_H     V    98_B    100  104  123     18   99  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     A    99_H     A    99_B    100  104  123      3   11   36  102  110  110  111  112  113  114  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     W   100_H     W   100_B    100  104  123      4    5   10   14   57   98  110  111  113  113  114  115  117  118  118  118  120  121  121  122 
LCS_GDT     L   101_H     L   101_B      6  104  123      4    5    9   10   17   19   32   40   87  112  113  114  115  115  116  117  119  119  119  120 
LCS_GDT     S   102_H     S   102_B      6  104  123      4    5    6    7    8    9   11  102  112  113  114  115  115  118  118  118  119  121  121  122 
LCS_GDT     I   103_H     I   103_B      6  104  123      4    5    6    7   89  106  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     P   104_H     P   104_B      6  104  123      3    5    6    7   17   43   82  105  111  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     D   105_H     D   105_B      6    8  123      4    5    6    7   10   23   29   35   41   52   60   93  102  108  116  118  120  121  121  122 
LCS_GDT     L   106_H     L   106_B      5    8  123      4    5    6    7   10   18   27   35   41   52   60   67   72  108  110  114  120  121  121  122 
LCS_GDT     A   107_H     A   107_B      5    8  123      4    5    6    7   10   11   19   28   38   52   58   66   72   76   81   90  118  118  119  122 
LCS_GDT     E   108_H     E   108_B      5    8  123      4    5    6    7   10   15   27   35   41   52   60   67  102  108  112  118  120  121  121  122 
LCS_GDT     W   109_H     W   109_B      3    8  123      3    3    6   11   35   70   94  109  112  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     Y   110_H     Y   110_B      4    8  123      3    3    8   13   35   43   86  107  112  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     D   111_H     D   111_B      4   13  123      3    3    8   29   61   88  108  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     Y   112_H     Y   112_B     12   13  123     61  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     W   113_H     W   113_B     12   13  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     G   114_H     G   114_B     12   13  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     Q   115_H     Q   115_B     12   13  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     G   116_H     G   116_B     12   13  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     T   117_H     T   117_B     12   13  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     Q   118_H     Q   118_B     12   13  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     V   119_H     V   119_B     12   13  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     T   120_H     T   120_B     12   13  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     V   121_H     V   121_B     12   13  123     85  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     S   122_H     S   122_B     12   13  123     76  104  109  109  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_GDT     S   123_H     S   123_B     12   13  123      3    3    7  105  110  110  111  112  113  115  116  116  117  118  118  118  120  121  121  122 
LCS_AVERAGE  LCS_A:  80.12  (  67.42   72.93  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     85    104    109    109    110    110    111    112    113    115    116    116    117    118    118    118    120    121    121    122 
GDT PERCENT_AT  69.11  84.55  88.62  88.62  89.43  89.43  90.24  91.06  91.87  93.50  94.31  94.31  95.12  95.93  95.93  95.93  97.56  98.37  98.37  99.19
GDT RMS_LOCAL    0.33   0.44   0.53   0.53   0.62   0.62   0.71   0.88   1.03   1.58   1.61   1.61   1.71   1.80   1.80   1.80   2.59   2.66   2.66   2.97
GDT RMS_ALL_AT   3.32   3.32   3.34   3.34   3.35   3.35   3.34   3.31   3.28   3.17   3.18   3.18   3.18   3.19   3.19   3.19   3.11   3.11   3.11   3.10

# Checking swapping
#   possible swapping detected:  D    33_H      D    33_B
#   possible swapping detected:  E    46_H      E    46_B
#   possible swapping detected:  Y    59_H      Y    59_B
#   possible swapping detected:  E    89_H      E    89_B
#   possible swapping detected:  D   105_H      D   105_B
#   possible swapping detected:  Y   110_H      Y   110_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_H      Q     1_B     0.669     0    0.645   0.525     9.533   86.905   51.587
LGA    V     2_H      V     2_B     0.330     0    0.081   0.242     0.677  100.000   95.918
LGA    Q     3_H      Q     3_B     0.289     0    0.105   0.442     3.345   97.619   83.651
LGA    L     4_H      L     4_B     0.378     0    0.066   1.015     2.521   97.619   89.048
LGA    V     5_H      V     5_B     0.378     0    0.047   1.074     2.353   97.619   87.211
LGA    E     6_H      E     6_B     0.249     0    0.113   0.363     0.898   97.619   94.709
LGA    S     7_H      S     7_B     0.152     0    0.022   0.716     1.853   97.619   93.889
LGA    G     8_H      G     8_B     0.498     0    0.045   0.045     0.785   95.238   95.238
LGA    G     9_H      G     9_B     0.734     0    0.077   0.077     0.734   95.238   95.238
LGA    G    10_H      G    10_B     0.257     0    0.186   0.186     0.532   97.619   97.619
LGA    L    11_H      L    11_B     0.371     0    0.037   1.325     3.623  100.000   88.333
LGA    V    12_H      V    12_B     0.571     0    0.048   0.221     1.083   92.857   91.905
LGA    Q    13_H      Q    13_B     0.378     0    0.060   0.742     3.608   97.619   76.772
LGA    A    14_H      A    14_B     0.254     0    0.041   0.049     0.510  100.000   98.095
LGA    G    15_H      G    15_B     0.373     0    0.166   0.166     0.670   97.619   97.619
LGA    G    16_H      G    16_B     0.442     0    0.040   0.040     0.519   97.619   97.619
LGA    S    17_H      S    17_B     0.262     0    0.072   0.810     2.806  100.000   91.270
LGA    L    18_H      L    18_B     0.439     0    0.040   1.197     4.069  100.000   87.500
LGA    R    19_H      R    19_B     0.596     0    0.038   1.943     7.654   90.476   66.753
LGA    L    20_H      L    20_B     0.436     0    0.090   0.324     1.080  100.000   96.488
LGA    S    21_H      S    21_B     0.305     0    0.038   0.771     2.289  100.000   94.127
LGA    C    22_H      C    22_B     0.272     0    0.067   0.149     0.745  100.000   98.413
LGA    A    23_H      A    23_B     0.189     0    0.031   0.043     0.297  100.000  100.000
LGA    A    24_H      A    24_B     0.307     0    0.067   0.074     0.496  100.000  100.000
LGA    S    25_H      S    25_B     0.149     0    0.038   0.514     2.099  100.000   94.127
LGA    G    26_H      G    26_B     0.499     0    0.050   0.050     0.499  100.000  100.000
LGA    F    27_H      F    27_B     0.375     0    0.043   0.158     0.705  100.000   97.403
LGA    I    28_H      I    28_B     0.610     0    0.034   1.048     2.872   92.857   83.095
LGA    F    29_H      F    29_B     0.581     0    0.032   1.001     2.226   90.476   84.156
LGA    H    30_H      H    30_B     0.564     0    0.082   1.370     6.377   92.857   67.143
LGA    N    31_H      N    31_B     0.408     0    0.114   0.927     2.786   97.619   91.131
LGA    F    32_H      F    32_B     0.278     0    0.111   0.777     1.661  100.000   90.823
LGA    D    33_H      D    33_B     0.300     0    0.092   0.992     4.323   97.619   81.190
LGA    M    34_H      M    34_B     0.208     0    0.046   0.638     1.401  100.000   92.976
LGA    G    35_H      G    35_B     0.352     0    0.028   0.028     0.398  100.000  100.000
LGA    W    36_H      W    36_B     0.510     0    0.016   0.130     0.818   90.476   91.837
LGA    Y    37_H      Y    37_B     0.474     0    0.064   0.236     1.876   97.619   86.944
LGA    R    38_H      R    38_B     0.344     0    0.051   0.768     1.901  100.000   89.913
LGA    Q    39_H      Q    39_B     0.793     0    0.048   0.509     2.430   88.214   83.651
LGA    A    40_H      A    40_B     1.262     0    0.040   0.062     1.262   81.429   81.429
LGA    P    41_H      P    41_B     1.481     0    0.070   0.416     1.884   83.690   80.272
LGA    G    42_H      G    42_B     1.565     0    0.337   0.337     2.194   72.976   72.976
LGA    K    43_H      K    43_B     1.125     0    0.095   0.691     2.900   88.333   84.815
LGA    E    44_H      E    44_B     0.921     0    0.030   1.124     6.069   90.476   63.810
LGA    R    45_H      R    45_B     0.730     0    0.044   1.421     3.760   90.476   75.671
LGA    E    46_H      E    46_B     0.512     0    0.040   0.579     1.880   95.238   92.751
LGA    F    47_H      F    47_B     0.365     0    0.050   0.152     1.730   97.619   87.403
LGA    V    48_H      V    48_B     0.237     0    0.050   0.132     0.489  100.000  100.000
LGA    A    49_H      A    49_B     0.942     0    0.020   0.045     1.241   92.857   90.571
LGA    A    50_H      A    50_B     0.572     0    0.099   0.116     0.830   92.857   92.381
LGA    I    51_H      I    51_B     0.541     0    0.047   0.454     0.900   95.238   94.048
LGA    S    52_H      S    52_B     0.375     0    0.048   0.094     1.060  100.000   95.317
LGA    D    53_H      D    53_B     0.665     0    0.068   0.336     1.856   92.857   88.333
LGA    N    54_H      N    54_B     0.861     0    0.249   0.711     2.415   81.786   83.929
LGA    G    55_H      G    55_B     0.810     0    0.020   0.020     1.332   88.214   88.214
LGA    R    56_H      R    56_B     1.431     0    0.085   1.635     5.197   83.690   65.022
LGA    S    57_H      S    57_B     0.751     0    0.017   0.634     2.191   90.476   86.190
LGA    T    58_H      T    58_B     0.426     0    0.096   1.338     3.086   95.238   85.102
LGA    Y    59_H      Y    59_B     0.410     0    0.032   1.303     8.007  100.000   62.619
LGA    Y    60_H      Y    60_B     0.304     0    0.035   0.091     0.457  100.000  100.000
LGA    A    61_H      A    61_B     0.261     0    0.030   0.042     0.327  100.000  100.000
LGA    D    62_H      D    62_B     0.173     0    0.095   0.178     0.832   97.619   95.238
LGA    S    63_H      S    63_B     0.401     0    0.253   0.571     3.147   95.357   86.984
LGA    V    64_H      V    64_B     0.358     0    0.090   0.165     0.803  100.000   95.918
LGA    K    65_H      K    65_B     0.175     0    0.042   1.024     7.366  100.000   71.799
LGA    G    66_H      G    66_B     0.229     0    0.043   0.043     0.229  100.000  100.000
LGA    R    67_H      R    67_B     0.216     0    0.079   0.571     1.836   97.619   94.935
LGA    F    68_H      F    68_B     0.315     0    0.057   0.468     1.293  100.000   93.247
LGA    T    69_H      T    69_B     0.466     0    0.084   0.936     2.175   97.619   88.571
LGA    I    70_H      I    70_B     0.468     0    0.050   0.474     1.797  100.000   94.226
LGA    S    71_H      S    71_B     0.468     0    0.039   0.197     0.885   95.238   93.651
LGA    R    72_H      R    72_B     0.375     0    0.060   1.051     2.437  100.000   89.351
LGA    D    73_H      D    73_B     0.246     0    0.033   0.263     1.307  100.000   95.298
LGA    N    74_H      N    74_B     0.436     0    0.121   1.023     2.225   92.976   86.488
LGA    A    75_H      A    75_B     0.192     0    0.031   0.050     0.354  100.000  100.000
LGA    K    76_H      K    76_B     0.529     0    0.074   0.522     3.012   97.619   81.481
LGA    N    77_H      N    77_B     0.299     0    0.088   0.623     1.882  100.000   93.036
LGA    T    78_H      T    78_B     0.334     0    0.036   1.171     2.913  100.000   88.844
LGA    V    79_H      V    79_B     0.322     0    0.062   0.984     2.698  100.000   90.000
LGA    Y    80_H      Y    80_B     0.326     0    0.042   0.071     0.429  100.000  100.000
LGA    L    81_H      L    81_B     0.195     0    0.048   0.077     0.370  100.000  100.000
LGA    Q    82_H      Q    82_B     0.256     0    0.029   0.832     2.784  100.000   86.243
LGA    M    83_H      M    83_B     0.169     0    0.042   0.794     2.361  100.000   93.214
LGA    N    84_H      N    84_B     0.263     0    0.057   0.215     0.486  100.000  100.000
LGA    S    85_H      S    85_B     0.532     0    0.052   0.623     2.182   95.238   89.365
LGA    L    86_H      L    86_B     0.415     0    0.071   0.217     0.715  100.000   98.810
LGA    K    87_H      K    87_B     0.508     0    0.045   0.771     2.182   90.476   83.757
LGA    P    88_H      P    88_B     0.660     0    0.092   0.372     1.115   92.857   90.544
LGA    E    89_H      E    89_B     0.160     0    0.080   0.686     2.624  100.000   87.143
LGA    D    90_H      D    90_B     0.331     0    0.027   0.340     1.227  100.000   96.488
LGA    T    91_H      T    91_B     0.307     0    0.048   0.795     1.991   97.619   90.884
LGA    A    92_H      A    92_B     0.320     0    0.058   0.059     0.383  100.000  100.000
LGA    V    93_H      V    93_B     0.324     0    0.072   0.170     0.820   97.619   97.279
LGA    Y    94_H      Y    94_B     0.149     0    0.050   0.194     0.621  100.000   97.619
LGA    Y    95_H      Y    95_B     0.387     0    0.125   0.205     1.343  100.000   94.484
LGA    C    96_H      C    96_B     0.535     0    0.097   0.147     0.770   92.857   92.063
LGA    A    97_H      A    97_B     0.159     0    0.104   0.172     0.584   97.619   96.190
LGA    V    98_H      V    98_B     1.396     0    0.045   1.223     4.566   73.452   67.347
LGA    A    99_H      A    99_B     3.372     0    0.105   0.123     4.176   47.262   47.810
LGA    W   100_H      W   100_B     5.950     0    0.603   1.152     7.264   20.595   22.823
LGA    L   101_H      L   101_B     9.331     0    0.077   0.903    16.423    5.833    2.917
LGA    S   102_H      S   102_B     6.159     0    0.150   0.223    10.117   20.833   15.079
LGA    I   103_H      I   103_B     5.367     0    0.154   1.372    10.004   24.405   17.381
LGA    P   104_H      P   104_B     8.894     0    0.306   0.319    12.363    3.214    3.605
LGA    D   105_H      D   105_B    13.424     0    0.157   1.147    19.375    0.000    0.000
LGA    L   106_H      L   106_B    14.404     0    0.105   1.244    15.764    0.000    0.000
LGA    A   107_H      A   107_B    16.917     0    0.063   0.061    18.069    0.000    0.000
LGA    E   108_H      E   108_B    13.668     0    0.549   0.862    16.638    0.000    0.000
LGA    W   109_H      W   109_B     7.878     0    0.651   1.322     9.820    6.190   10.306
LGA    Y   110_H      Y   110_B     8.014     0    0.600   1.112    18.608    9.048    3.135
LGA    D   111_H      D   111_B     5.904     0    0.089   0.926     8.821   25.833   18.869
LGA    Y   112_H      Y   112_B     0.948     0    0.580   1.181     3.765   84.048   70.437
LGA    W   113_H      W   113_B     0.284     0    0.070   0.256     1.268  100.000   93.946
LGA    G   114_H      G   114_B     0.335     0    0.072   0.072     0.368  100.000  100.000
LGA    Q   115_H      Q   115_B     0.335     0    0.094   1.341     4.645   97.619   78.571
LGA    G   116_H      G   116_B     0.266     0    0.047   0.047     0.796   97.619   97.619
LGA    T   117_H      T   117_B     0.286     0    0.060   0.145     0.730  100.000   98.639
LGA    Q   118_H      Q   118_B     0.357     0    0.081   1.217     4.054  100.000   85.026
LGA    V   119_H      V   119_B     0.337     0    0.076   0.181     0.538   97.619   97.279
LGA    T   120_H      T   120_B     0.361     0    0.118   0.233     0.760   97.619   97.279
LGA    V   121_H      V   121_B     0.338     0    0.079   0.285     0.994  100.000   98.639
LGA    S   122_H      S   122_B     0.537     0    0.056   0.767     3.131   73.929   76.508
LGA    S   123_H      S   123_B     3.761     0    0.141   0.520     5.300   41.429   45.476

# 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):     3.101          3.038                  3.702           86.710   80.944

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  123    4.0    112    0.88    90.041    86.421    11.467

LGA_LOCAL      RMSD:   0.877  Number of atoms:  112  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.310  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.101  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.365363 * X  +   0.290597 * Y  +  -0.884344 * Z  +  31.549263
  Y_new =  -0.872290 * X  +  -0.224799 * Y  +  -0.434252 * Z  +  -3.766330
  Z_new =  -0.324992 * X  +   0.930064 * Y  +   0.171352 * Z  + -36.923992 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.174142  0.331003  1.388603   [DEG:  -67.2734   18.9651   79.5611 ]
ZXZ: -1.114339  1.398595 -0.336166   [DEG:  -63.8469   80.1336  -19.2609 ]
 
# END of job
