
#######################################################
#                                                     #
#                        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       2.97     2.97
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104       1_B - 104_B       1.90     3.13
  LCS_AVERAGE:     72.97

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100       1_B - 100_B       0.86     3.27
  LCS_AVERAGE:     67.36

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     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     V     2_H     V     2_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     Q     3_H     Q     3_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     L     4_H     L     4_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     V     5_H     V     5_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     E     6_H     E     6_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     S     7_H     S     7_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     G     8_H     G     8_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     G     9_H     G     9_B    100  104  123     46  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     G    10_H     G    10_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     L    11_H     L    11_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     V    12_H     V    12_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     Q    13_H     Q    13_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     A    14_H     A    14_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     G    15_H     G    15_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     G    16_H     G    16_B    100  104  123     80  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     S    17_H     S    17_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     L    18_H     L    18_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     R    19_H     R    19_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     L    20_H     L    20_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     S    21_H     S    21_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     C    22_H     C    22_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     A    23_H     A    23_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     A    24_H     A    24_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     S    25_H     S    25_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     G    26_H     G    26_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     F    27_H     F    27_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     I    28_H     I    28_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     F    29_H     F    29_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     H    30_H     H    30_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     N    31_H     N    31_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     F    32_H     F    32_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     D    33_H     D    33_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     M    34_H     M    34_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     G    35_H     G    35_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     W    36_H     W    36_B    100  104  123     43  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     Y    37_H     Y    37_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     R    38_H     R    38_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     Q    39_H     Q    39_B    100  104  123     78  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     A    40_H     A    40_B    100  104  123     25  102  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     P    41_H     P    41_B    100  104  123      3   95  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     G    42_H     G    42_B    100  104  123     11   95  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     K    43_H     K    43_B    100  104  123     32  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     E    44_H     E    44_B    100  104  123     37  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     R    45_H     R    45_B    100  104  123     79  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     E    46_H     E    46_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     F    47_H     F    47_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     V    48_H     V    48_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     A    49_H     A    49_B    100  104  123     30  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     A    50_H     A    50_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     I    51_H     I    51_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     S    52_H     S    52_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     D    53_H     D    53_B    100  104  123     75  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     N    54_H     N    54_B    100  104  123     47  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     G    55_H     G    55_B    100  104  123      7  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     R    56_H     R    56_B    100  104  123      7   68  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     S    57_H     S    57_B    100  104  123      7  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     T    58_H     T    58_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     Y    59_H     Y    59_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     Y    60_H     Y    60_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     A    61_H     A    61_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     D    62_H     D    62_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     S    63_H     S    63_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     V    64_H     V    64_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     K    65_H     K    65_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     G    66_H     G    66_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     R    67_H     R    67_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     F    68_H     F    68_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     T    69_H     T    69_B    100  104  123     79  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     I    70_H     I    70_B    100  104  123     79  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     S    71_H     S    71_B    100  104  123     79  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     R    72_H     R    72_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     D    73_H     D    73_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     N    74_H     N    74_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     A    75_H     A    75_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     K    76_H     K    76_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     N    77_H     N    77_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     T    78_H     T    78_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     V    79_H     V    79_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     Y    80_H     Y    80_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     L    81_H     L    81_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     Q    82_H     Q    82_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     M    83_H     M    83_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     N    84_H     N    84_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     S    85_H     S    85_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     L    86_H     L    86_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     K    87_H     K    87_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     P    88_H     P    88_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     E    89_H     E    89_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     D    90_H     D    90_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     T    91_H     T    91_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     A    92_H     A    92_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     V    93_H     V    93_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     Y    94_H     Y    94_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     Y    95_H     Y    95_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     C    96_H     C    96_B    100  104  123     38  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     A    97_H     A    97_B    100  104  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     V    98_H     V    98_B    100  104  123     28  100  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     A    99_H     A    99_B    100  104  123      4    9   38   88  110  110  111  112  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     W   100_H     W   100_B    100  104  123      4    7   13   30   46   93  110  112  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     L   101_H     L   101_B      6  104  123      4    7   18   33   81  105  111  112  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     S   102_H     S   102_B      5  104  123      4    5    5    6    9  108  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     I   103_H     I   103_B      5  104  123      4    5    5    5    6    6    9   96  112  114  115  116  117  118  119  119  119  122  123  123 
LCS_GDT     P   104_H     P   104_B      5  104  123      4    5    5    5    6    8   13   22   33   44   61   77   82   88  103  112  119  122  123  123 
LCS_GDT     D   105_H     D   105_B      5    6  123      4    5    5    5    6    8   13   22   33   44   58   73   82   88   92  102  118  120  123  123 
LCS_GDT     L   106_H     L   106_B      4    6  123      4    4    6   13   23   27   35   54   88  109  114  116  117  118  119  119  119  122  123  123 
LCS_GDT     A   107_H     A   107_B      4    5  123      4    4    4    4    5    8   10   15   33   46   64   77   82   88   99  112  119  122  123  123 
LCS_GDT     E   108_H     E   108_B      4    5  123      4    4    4    5    6   10   16   29   41   55   64   77   82  105  116  118  119  122  123  123 
LCS_GDT     W   109_H     W   109_B      3    5  123      3   11   20   47   69   94  109  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     Y   110_H     Y   110_B      3   14  123      3    3    4   13   54   78  102  112  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     D   111_H     D   111_B      3   14  123      3   11   34   51   92  107  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     Y   112_H     Y   112_B     12   14  123     24  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     W   113_H     W   113_B     12   14  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     G   114_H     G   114_B     12   14  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     Q   115_H     Q   115_B     12   14  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     G   116_H     G   116_B     12   14  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     T   117_H     T   117_B     12   14  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     Q   118_H     Q   118_B     12   14  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     V   119_H     V   119_B     12   14  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     T   120_H     T   120_B     12   14  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     V   121_H     V   121_B     12   14  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     S   122_H     S   122_B     12   14  123     81  104  108  109  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_GDT     S   123_H     S   123_B     12   14  123      3   28   61  104  110  110  111  113  114  114  115  117  117  118  119  119  119  122  123  123 
LCS_AVERAGE  LCS_A:  80.11  (  67.36   72.97  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     81    104    108    109    110    110    111    113    114    114    115    117    117    118    119    119    119    122    123    123 
GDT PERCENT_AT  65.85  84.55  87.80  88.62  89.43  89.43  90.24  91.87  92.68  92.68  93.50  95.12  95.12  95.93  96.75  96.75  96.75  99.19 100.00 100.00
GDT RMS_LOCAL    0.31   0.45   0.51   0.53   0.61   0.61   0.69   1.12   1.11   1.11   1.23   1.54   1.54   1.73   1.97   1.97   1.97   2.74   2.97   2.97
GDT RMS_ALL_AT   3.22   3.22   3.23   3.24   3.24   3.24   3.25   3.14   3.26   3.26   3.22   3.14   3.14   3.10   3.05   3.05   3.05   2.97   2.97   2.97

# 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:  D   105_H      D   105_B
#   possible swapping detected:  Y   110_H      Y   110_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     0.562     0    0.657   1.228     7.267   80.357   51.164
LGA    V     2_H      V     2_B     0.286     0    0.094   0.257     0.804   97.619   97.279
LGA    Q     3_H      Q     3_B     0.253     0    0.113   1.063     4.340  100.000   81.270
LGA    L     4_H      L     4_B     0.472     0    0.087   1.025     2.558   95.238   87.857
LGA    V     5_H      V     5_B     0.445     0    0.040   0.124     0.778   97.619   95.918
LGA    E     6_H      E     6_B     0.307     0    0.103   0.343     1.003   97.619   92.646
LGA    S     7_H      S     7_B     0.287     0    0.000   0.710     1.480   97.619   93.730
LGA    G     8_H      G     8_B     0.423     0    0.104   0.104     0.713   97.619   97.619
LGA    G     9_H      G     9_B     0.694     0    0.073   0.073     0.694   95.238   95.238
LGA    G    10_H      G    10_B     0.323     0    0.191   0.191     0.577   97.619   97.619
LGA    L    11_H      L    11_B     0.278     0    0.000   0.590     1.639  100.000   93.214
LGA    V    12_H      V    12_B     0.439     0    0.032   0.262     0.832   97.619   97.279
LGA    Q    13_H      Q    13_B     0.388     0    0.036   1.038     3.490   97.619   89.206
LGA    A    14_H      A    14_B     0.244     0    0.050   0.057     0.438  100.000  100.000
LGA    G    15_H      G    15_B     0.210     0    0.164   0.164     0.708   97.619   97.619
LGA    G    16_H      G    16_B     0.467     0    0.053   0.053     0.478  100.000  100.000
LGA    S    17_H      S    17_B     0.326     0    0.087   0.228     0.736  100.000   96.825
LGA    L    18_H      L    18_B     0.424     0    0.048   1.253     3.576   95.238   85.893
LGA    R    19_H      R    19_B     0.626     0    0.041   2.087     8.329   90.476   63.680
LGA    L    20_H      L    20_B     0.337     0    0.098   0.278     0.833  100.000   97.619
LGA    S    21_H      S    21_B     0.161     0    0.000   0.430     1.560  100.000   95.476
LGA    C    22_H      C    22_B     0.202     0    0.039   0.157     0.830  100.000   98.413
LGA    A    23_H      A    23_B     0.090     0    0.007   0.000     0.276  100.000  100.000
LGA    A    24_H      A    24_B     0.305     0    0.058   0.082     0.416  100.000  100.000
LGA    S    25_H      S    25_B     0.358     0    0.069   0.196     0.917  100.000   96.825
LGA    G    26_H      G    26_B     0.842     0    0.078   0.078     0.842   90.476   90.476
LGA    F    27_H      F    27_B     0.544     0    0.089   0.133     0.544   92.857   96.537
LGA    I    28_H      I    28_B     0.596     0    0.061   0.166     0.875   90.476   90.476
LGA    F    29_H      F    29_B     0.713     0    0.000   0.282     0.937   90.476   91.342
LGA    H    30_H      H    30_B     0.739     0    0.052   1.226     6.386   90.476   63.429
LGA    N    31_H      N    31_B     0.404     0    0.157   0.187     0.987   97.619   95.238
LGA    F    32_H      F    32_B     0.387     0    0.114   0.303     1.908   95.238   88.182
LGA    D    33_H      D    33_B     0.616     0    0.074   0.472     1.689   90.476   88.274
LGA    M    34_H      M    34_B     0.553     0    0.023   0.251     0.806   92.857   92.857
LGA    G    35_H      G    35_B     0.505     0    0.000   0.000     0.544   92.857   92.857
LGA    W    36_H      W    36_B     0.674     0    0.000   0.139     0.812   90.476   91.837
LGA    Y    37_H      Y    37_B     0.716     0    0.064   0.268     2.091   90.476   83.889
LGA    R    38_H      R    38_B     0.166     0    0.107   0.386     0.822  100.000   96.537
LGA    Q    39_H      Q    39_B     0.586     0    0.000   0.716     3.564   92.857   77.937
LGA    A    40_H      A    40_B     1.062     0    0.071   0.088     1.069   83.690   83.238
LGA    P    41_H      P    41_B     1.362     0    0.100   0.423     1.977   81.429   78.980
LGA    G    42_H      G    42_B     1.589     0    0.268   0.268     2.336   72.976   72.976
LGA    K    43_H      K    43_B     1.061     0    0.123   0.584     2.395   85.952   86.667
LGA    E    44_H      E    44_B     0.845     0    0.076   1.151     4.694   90.476   71.481
LGA    R    45_H      R    45_B     0.484     0    0.000   1.035     3.767   97.619   81.602
LGA    E    46_H      E    46_B     0.400     0    0.000   0.512     2.045  100.000   95.026
LGA    F    47_H      F    47_B     0.530     0    0.075   0.109     2.083   97.619   83.550
LGA    V    48_H      V    48_B     0.520     0    0.000   0.118     0.728   90.476   93.197
LGA    A    49_H      A    49_B     0.871     0    0.028   0.065     1.037   92.857   90.571
LGA    A    50_H      A    50_B     0.636     0    0.120   0.138     0.991   90.476   90.476
LGA    I    51_H      I    51_B     0.512     0    0.000   0.443     0.911   92.857   92.857
LGA    S    52_H      S    52_B     0.562     0    0.043   0.709     2.982   95.238   88.095
LGA    D    53_H      D    53_B     0.669     0    0.069   0.408     2.115   90.476   86.131
LGA    N    54_H      N    54_B     0.704     0    0.404   0.708     3.059   78.095   83.155
LGA    G    55_H      G    55_B     1.011     0    0.000   0.000     1.846   83.929   83.929
LGA    R    56_H      R    56_B     2.053     0    0.074   1.254     3.423   70.952   65.931
LGA    S    57_H      S    57_B     1.342     0    0.000   0.137     1.697   81.429   80.000
LGA    T    58_H      T    58_B     0.596     0    0.131   0.363     1.295   95.238   91.905
LGA    Y    59_H      Y    59_B     0.446     0    0.000   1.318     7.507   97.619   64.802
LGA    Y    60_H      Y    60_B     0.346     0    0.059   0.100     0.541  100.000   96.825
LGA    A    61_H      A    61_B     0.178     0    0.019   0.008     0.220  100.000  100.000
LGA    D    62_H      D    62_B     0.127     0    0.094   0.885     3.481   97.619   82.798
LGA    S    63_H      S    63_B     0.493     0    0.262   0.753     2.876   95.357   86.667
LGA    V    64_H      V    64_B     0.502     0    0.100   0.171     0.777   95.238   93.197
LGA    K    65_H      K    65_B     0.483     0    0.061   0.985     6.758   92.857   69.259
LGA    G    66_H      G    66_B     0.602     0    0.101   0.101     0.602   92.857   92.857
LGA    R    67_H      R    67_B     0.586     0    0.101   0.575     1.396   92.857   93.117
LGA    F    68_H      F    68_B     0.184     0    0.064   0.438     1.315  100.000   93.247
LGA    T    69_H      T    69_B     0.404     0    0.082   1.045     2.283   97.619   88.571
LGA    I    70_H      I    70_B     0.431     0    0.043   0.466     1.722  100.000   94.226
LGA    S    71_H      S    71_B     0.453     0    0.060   0.203     0.887   95.238   93.651
LGA    R    72_H      R    72_B     0.305     0    0.032   0.134     0.552  100.000   97.403
LGA    D    73_H      D    73_B     0.181     0    0.043   0.336     1.029  100.000   97.679
LGA    N    74_H      N    74_B     0.288     0    0.147   1.038     2.518   95.357   88.929
LGA    A    75_H      A    75_B     0.087     0    0.070   0.073     0.287  100.000  100.000
LGA    K    76_H      K    76_B     0.514     0    0.086   0.973     3.813   97.619   81.852
LGA    N    77_H      N    77_B     0.345     0    0.085   0.492     2.226  100.000   92.024
LGA    T    78_H      T    78_B     0.464     0    0.000   1.175     2.755   97.619   87.483
LGA    V    79_H      V    79_B     0.371     0    0.061   0.089     0.872   97.619   94.558
LGA    Y    80_H      Y    80_B     0.242     0    0.000   0.070     0.387  100.000  100.000
LGA    L    81_H      L    81_B     0.241     0    0.056   0.071     0.363  100.000  100.000
LGA    Q    82_H      Q    82_B     0.210     0    0.000   0.864     2.769  100.000   88.201
LGA    M    83_H      M    83_B     0.212     0    0.000   0.789     2.074  100.000   92.083
LGA    N    84_H      N    84_B     0.160     0    0.054   0.205     0.556  100.000   98.810
LGA    S    85_H      S    85_B     0.234     0    0.079   0.628     1.951  100.000   95.476
LGA    L    86_H      L    86_B     0.159     0    0.042   0.203     0.863  100.000   97.619
LGA    K    87_H      K    87_B     0.400     0    0.000   0.998     3.259  100.000   83.598
LGA    P    88_H      P    88_B     0.530     0    0.085   0.365     0.889   95.238   93.197
LGA    E    89_H      E    89_B     0.200     0    0.099   0.583     1.443   97.619   90.635
LGA    D    90_H      D    90_B     0.228     0    0.054   0.294     1.052  100.000   96.488
LGA    T    91_H      T    91_B     0.165     0    0.027   0.192     0.473  100.000  100.000
LGA    A    92_H      A    92_B     0.263     0    0.054   0.050     0.325  100.000  100.000
LGA    V    93_H      V    93_B     0.274     0    0.000   0.200     0.885  100.000   98.639
LGA    Y    94_H      Y    94_B     0.082     0    0.041   0.141     0.318  100.000  100.000
LGA    Y    95_H      Y    95_B     0.561     0    0.101   0.226     1.501   92.857   90.675
LGA    C    96_H      C    96_B     0.843     0    0.069   0.138     0.979   90.476   90.476
LGA    A    97_H      A    97_B     0.485     0    0.119   0.188     0.746   92.857   94.286
LGA    V    98_H      V    98_B     1.597     0    0.084   1.224     4.764   69.048   63.605
LGA    A    99_H      A    99_B     3.771     0    0.079   0.112     4.494   43.690   44.952
LGA    W   100_H      W   100_B     6.170     0    0.051   0.876    10.272   19.405    8.946
LGA    L   101_H      L   101_B     5.970     0    0.631   0.822     8.262   27.857   18.452
LGA    S   102_H      S   102_B     4.637     0    0.289   0.289     7.227   21.190   20.556
LGA    I   103_H      I   103_B     8.883     0    0.105   1.160    12.454    5.595    2.976
LGA    P   104_H      P   104_B    12.704     0    0.056   0.410    14.856    0.000    0.000
LGA    D   105_H      D   105_B    14.511     0    0.536   1.331    20.701    0.000    0.000
LGA    L   106_H      L   106_B    10.865     0    0.171   0.986    12.088    0.000    2.738
LGA    A   107_H      A   107_B    13.454     0    0.063   0.082    15.758    0.000    0.000
LGA    E   108_H      E   108_B    13.390     0    0.328   0.887    18.538    0.000    0.000
LGA    W   109_H      W   109_B     6.605     0    0.653   1.340    10.874   10.714    6.599
LGA    Y   110_H      Y   110_B     7.176     0    0.613   1.091    17.753   14.643    5.278
LGA    D   111_H      D   111_B     5.250     0    0.102   0.948     8.165   33.690   24.048
LGA    Y   112_H      Y   112_B     1.126     0    0.588   1.211     3.668   83.810   70.317
LGA    W   113_H      W   113_B     0.652     0    0.034   0.294     2.078   90.476   83.639
LGA    G   114_H      G   114_B     0.625     0    0.000   0.000     0.668   90.476   90.476
LGA    Q   115_H      Q   115_B     0.733     0    0.095   0.692     3.954   95.238   71.376
LGA    G   116_H      G   116_B     0.096     0    0.049   0.049     0.694   97.619   97.619
LGA    T   117_H      T   117_B     0.136     0    0.092   0.167     0.653  100.000   98.639
LGA    Q   118_H      Q   118_B     0.498     0    0.079   1.403     5.531  100.000   72.857
LGA    V   119_H      V   119_B     0.324     0    0.058   0.155     0.734   97.619   97.279
LGA    T   120_H      T   120_B     0.312     0    0.129   0.229     0.826   97.619   97.279
LGA    V   121_H      V   121_B     0.456     0    0.080   0.314     1.335  100.000   95.986
LGA    S   122_H      S   122_B     0.582     0    0.000   0.785     2.865   77.738   79.048
LGA    S   123_H      S   123_B     3.065     0    0.650   0.894     5.044   48.095   48.810

# 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):     2.969          2.893                  3.659           85.720   80.836

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  123    4.0    113    1.12    90.447    86.449     9.288

LGA_LOCAL      RMSD:   1.117  Number of atoms:  113  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.136  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   2.969  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.663809 * X  +  -0.408024 * Y  +   0.626796 * Z  + -309.589050
  Y_new =   0.584341 * X  +  -0.240133 * Y  +  -0.775166 * Z  + 176.197922
  Z_new =   0.466800 * X  +   0.880825 * Y  +   0.079023 * Z  + -545.291321 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.721815 -0.485669  1.481321   [DEG:   41.3570  -27.8268   84.8735 ]
ZXZ:  0.679961  1.491691  0.487326   [DEG:   38.9589   85.4676   27.9217 ]
 
# END of job
