
#######################################################
#                                                     #
#                        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  130 (  978),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  949),  selected  125 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   122       8_A - 129_A       4.77     8.56
  LCS_AVERAGE:     95.60

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      12_A - 129_A       1.64     8.93
  LCS_AVERAGE:     89.61

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    53      77_A - 129_A       1.00     9.23
  LCS_AVERAGE:     36.13

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  125
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     L     5_A     L     5_A      6   11   18      4    4    7   10   10   10   11   11   13   14   16   19   19   20   21   22   23   25   26   27 
LCS_GDT     K     6_A     K     6_A      6   11   18      4    4    7   10   10   10   11   11   14   15   16   19   19   20   21   22   23   25   26   27 
LCS_GDT     C     7_A     C     7_A      7   11   18      4    6    7   10   10   10   11   11   14   15   16   19   19   20   21   25   25   28   28   33 
LCS_GDT     T     8_A     T     8_A      7   11  122      4    6    7   10   10   10   11   11   14   15   16   19   19   20   21   25   26   29   31   36 
LCS_GDT     F     9_A     F     9_A      7   11  122      4    6    7   10   10   10   11   11   14   15   16   19   19   22   29   32   39   46   48   57 
LCS_GDT     S    10_A     S    10_A      7   11  122      4    6    7   10   10   10   11   11   14   20   23   34   42   48   57   62   73   86   90   95 
LCS_GDT     A    11_A     A    11_A      7   11  122      3    5    7   10   16   22   27   32   42   54   64   78   87   96  103  112  116  118  119  119 
LCS_GDT     P    12_A     P    12_A      7  118  122      3    6    7   10   28   45   69   93   99  113  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     S    13_A     S    13_A     26  118  122      5   30   45   66   88  112  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     H    14_A     H    14_A     26  118  122     22   33   50   80  110  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     S    15_A     S    15_A     33  118  122     22   33   57   92  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     T    16_A     T    16_A     39  118  122     20   33   63   99  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     S    17_A     S    17_A     46  118  122     22   44   83  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     L    18_A     L    18_A     46  118  122     22   46   87  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     L    19_A     L    19_A     46  118  122     20   46   88  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     Q    20_A     Q    20_A     46  118  122     20   48   92  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     G    21_A     G    21_A     46  118  122     20   64   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     L    22_A     L    22_A     46  118  122     22   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     A    23_A     A    23_A     46  118  122     22   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     T    24_A     T    24_A     46  118  122     22   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     L    25_A     L    25_A     46  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     R    26_A     R    26_A     46  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     A    27_A     A    27_A     46  118  122     22   69   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     Q    28_A     Q    28_A     46  118  122     24   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     G    29_A     G    29_A     46  118  122     22   45   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     Q    30_A     Q    30_A     46  118  122     22   45   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     L    31_A     L    31_A     46  118  122      3   17   35  103  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     L    32_A     L    32_A     46  118  122     21   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     D    33_A     D    33_A     46  118  122     27   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     V    34_A     V    34_A     46  118  122     27   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     V    35_A     V    35_A     46  118  122     24   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     L    36_A     L    36_A     46  118  122     18   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     T    37_A     T    37_A     46  118  122     19   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     I    38_A     I    38_A     46  118  122     13   65   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     N    39_A     N    39_A     46  118  122     13   62   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     R    40_A     R    40_A     46  118  122      3   61   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     E    41_A     E    41_A     46  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     A    42_A     A    42_A     46  118  122     30   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     F    43_A     F    43_A     46  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     P    44_A     P    44_A     46  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     A    45_A     A    45_A     46  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     H    46_A     H    46_A     46  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     K    47_A     K    47_A     46  118  122     27   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     V    48_A     V    48_A     46  118  122     23   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     V    49_A     V    49_A     46  118  122     23   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     L    50_A     L    50_A     46  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     A    51_A     A    51_A     46  118  122     29   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     A    52_A     A    52_A     46  118  122     22   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     C    53_A     C    53_A     46  118  122     20   66   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     S    54_A     S    54_A     46  118  122     22   64   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     D    55_A     D    55_A     46  118  122     22   63   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     Y    56_A     Y    56_A     46  118  122     22   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     F    57_A     F    57_A     46  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     R    58_A     R    58_A     46  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     A    59_A     A    59_A     46  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     M    60_A     M    60_A     46  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     F    61_A     F    61_A     46  118  122     29   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     T    62_A     T    62_A     46  118  122     20   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     G    63_A     G    63_A     46  118  122      3    3   49   92  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     G    64_A     G    64_A     46  118  122      7   46   94  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     M    65_A     M    65_A     45  118  122      4   38   87  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     R    66_A     R    66_A     40  118  122     20   46   87  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     E    67_A     E    67_A     40  118  122      4   24   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     A    68_A     A    68_A     40  118  122     14   69   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     S    69_A     S    69_A     40  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     Q    70_A     Q    70_A     40  118  122      3   69   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     D    71_A     D    71_A     40  118  122     16   46   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     V    72_A     V    72_A     32  118  122     12   45   76  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     I    73_A     I    73_A     28  118  122     12   29   70  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     E    74_A     E    74_A     28  118  122     13   45   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     L    75_A     L    75_A     28  118  122     14   47   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     K    76_A     K    76_A     50  118  122      6   47   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     G    77_A     G    77_A     53  118  122      4   19   63  105  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     V    78_A     V    78_A     53  118  122     10   45   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     S    79_A     S    79_A     53  118  122     18   63   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     A    80_A     A    80_A     53  118  122     12   63   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     R    81_A     R    81_A     53  118  122     19   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     G    82_A     G    82_A     53  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     L    83_A     L    83_A     53  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     R    84_A     R    84_A     53  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     H    85_A     H    85_A     53  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     I    86_A     I    86_A     53  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     I    87_A     I    87_A     53  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     D    88_A     D    88_A     53  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     F    89_A     F    89_A     53  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     A    90_A     A    90_A     53  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     Y    91_A     Y    91_A     53  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     S    92_A     S    92_A     53  118  122     23   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     A    93_A     A    93_A     53  118  122     17   53   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     E    94_A     E    94_A     53  118  122      9   50   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     V    95_A     V    95_A     53  118  122     13   52   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     T    96_A     T    96_A     53  118  122     16   67   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     L    97_A     L    97_A     53  118  122      6   20   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     D    98_A     D    98_A     53  118  122     11   17   71  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     L    99_A     L    99_A     53  118  122      6   34   92  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     D   100_A     D   100_A     53  118  122     16   65   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     C   101_A     C   101_A     53  118  122     28   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     V   102_A     V   102_A     53  118  122     17   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     Q   103_A     Q   103_A     53  118  122     14   62   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     D   104_A     D   104_A     53  118  122     18   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     V   105_A     V   105_A     53  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     L   106_A     L   106_A     53  118  122     30   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     G   107_A     G   107_A     53  118  122     30   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     A   108_A     A   108_A     53  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     A   109_A     A   109_A     53  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     V   110_A     V   110_A     53  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     F   111_A     F   111_A     53  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     L   112_A     L   112_A     53  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     Q   113_A     Q   113_A     53  118  122     18   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     M   114_A     M   114_A     53  118  122     11   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     L   115_A     L   115_A     53  118  122     18   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     P   116_A     P   116_A     53  118  122     30   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     V   117_A     V   117_A     53  118  122     30   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     V   118_A     V   118_A     53  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     E   119_A     E   119_A     53  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     L   120_A     L   120_A     53  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     C   121_A     C   121_A     53  118  122     30   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     E   122_A     E   122_A     53  118  122     12   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     E   123_A     E   123_A     53  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     F   124_A     F   124_A     53  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     L   125_A     L   125_A     53  118  122     12   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     K   126_A     K   126_A     53  118  122     12   66   93  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     A   127_A     A   127_A     53  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     A   128_A     A   128_A     53  118  122     31   70   95  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_GDT     M   129_A     M   129_A     53  118  122     12   15   91  108  112  115  116  117  117  117  117  117  118  118  118  118  118  118  119  119 
LCS_AVERAGE  LCS_A:  73.78  (  36.13   89.61   95.60 )

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     31     70     95    108    112    115    116    117    117    117    117    117    118    118    118    118    118    118    119    119 
GDT PERCENT_AT  24.80  56.00  76.00  86.40  89.60  92.00  92.80  93.60  93.60  93.60  93.60  93.60  94.40  94.40  94.40  94.40  94.40  94.40  95.20  95.20
GDT RMS_LOCAL    0.35   0.64   0.90   1.07   1.15   1.25   1.30   1.37   1.37   1.37   1.37   1.37   1.64   1.64   1.64   1.64   1.64   1.64   2.13   2.13
GDT RMS_ALL_AT   9.20   9.15   9.16   9.09   9.08   9.05   9.02   8.99   8.99   8.99   8.99   8.99   8.93   8.93   8.93   8.93   8.93   8.93   8.85   8.85

# Checking swapping
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  F    57_A      F    57_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  D    98_A      D    98_A
#   possible swapping detected:  F   111_A      F   111_A
#   possible swapping detected:  E   123_A      E   123_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     5_A      L     5_A    54.597     0    0.308   1.496    57.160    0.000    0.000
LGA    K     6_A      K     6_A    48.694     0    0.019   0.850    50.731    0.000    0.000
LGA    C     7_A      C     7_A    41.420     0    0.107   0.232    43.956    0.000    0.000
LGA    T     8_A      T     8_A    34.730     0    0.106   1.151    37.123    0.000    0.000
LGA    F     9_A      F     9_A    28.422     0    0.012   0.184    36.290    0.000    0.000
LGA    S    10_A      S    10_A    21.635     0    0.051   0.085    23.941    0.000    0.000
LGA    A    11_A      A    11_A    15.451     0    0.220   0.269    17.551    0.000    0.000
LGA    P    12_A      P    12_A    10.163     0    0.172   0.287    12.524    5.833    3.333
LGA    S    13_A      S    13_A     4.785     0    0.667   0.817     6.923   29.762   24.921
LGA    H    14_A      H    14_A     3.868     0    0.015   0.151     4.229   45.119   45.429
LGA    S    15_A      S    15_A     3.275     0    0.058   0.063     3.792   50.119   47.857
LGA    T    16_A      T    16_A     2.992     0    0.052   0.045     3.759   57.262   53.197
LGA    S    17_A      S    17_A     2.117     0    0.045   0.046     2.513   66.905   64.921
LGA    L    18_A      L    18_A     1.770     0    0.030   0.263     2.327   77.143   70.952
LGA    L    19_A      L    19_A     1.545     0    0.034   1.383     2.978   77.143   74.226
LGA    Q    20_A      Q    20_A     1.407     0    0.011   0.715     3.589   83.690   70.847
LGA    G    21_A      G    21_A     0.744     0    0.063   0.063     1.029   88.214   88.214
LGA    L    22_A      L    22_A     0.432     0    0.014   0.056     0.649   97.619   98.810
LGA    A    23_A      A    23_A     0.749     0    0.012   0.020     0.960   90.476   90.476
LGA    T    24_A      T    24_A     0.621     0    0.095   1.142     2.960   90.476   82.041
LGA    L    25_A      L    25_A     0.313     0    0.083   0.179     1.102   92.976   92.917
LGA    R    26_A      R    26_A     0.568     0    0.050   1.157     4.570   90.595   82.208
LGA    A    27_A      A    27_A     1.189     0    0.033   0.042     1.601   81.548   81.524
LGA    Q    28_A      Q    28_A     1.153     0    0.024   0.867     3.411   81.429   77.989
LGA    G    29_A      G    29_A     1.757     0    0.019   0.019     1.996   75.000   75.000
LGA    Q    30_A      Q    30_A     1.545     0    0.647   0.579     3.084   69.286   76.085
LGA    L    31_A      L    31_A     2.477     0    0.066   0.180     4.649   66.786   52.917
LGA    L    32_A      L    32_A     0.735     0    0.022   0.233     1.181   88.214   89.345
LGA    D    33_A      D    33_A     0.288     0    0.021   0.066     0.400  100.000  100.000
LGA    V    34_A      V    34_A     0.460     0    0.021   0.109     0.742   95.238   93.197
LGA    V    35_A      V    35_A     0.559     0    0.056   0.071     1.088   88.214   89.184
LGA    L    36_A      L    36_A     0.835     0    0.033   0.127     1.303   92.857   87.143
LGA    T    37_A      T    37_A     0.799     0    0.072   1.150     2.771   88.214   80.612
LGA    I    38_A      I    38_A     1.295     0    0.022   0.599     2.111   83.690   80.655
LGA    N    39_A      N    39_A     1.378     0    0.582   0.553     2.903   75.357   71.190
LGA    R    40_A      R    40_A     1.551     0    0.052   1.224     4.444   81.667   70.130
LGA    E    41_A      E    41_A     0.378     0    0.052   0.654     1.804   97.619   86.772
LGA    A    42_A      A    42_A     0.146     0    0.014   0.019     0.635   97.619   96.190
LGA    F    43_A      F    43_A     0.532     0    0.080   0.088     1.190   95.238   89.740
LGA    P    44_A      P    44_A     0.526     0    0.040   0.367     1.954   92.857   88.027
LGA    A    45_A      A    45_A     0.315     0    0.037   0.042     0.483  100.000  100.000
LGA    H    46_A      H    46_A     0.207     0    0.027   1.042     5.287  100.000   71.714
LGA    K    47_A      K    47_A     0.377     0    0.030   0.073     1.097  100.000   94.762
LGA    V    48_A      V    48_A     0.428     0    0.075   0.954     2.191  100.000   89.728
LGA    V    49_A      V    49_A     0.551     0    0.017   0.041     0.884   95.238   93.197
LGA    L    50_A      L    50_A     0.309     0    0.025   0.137     1.301   97.619   92.976
LGA    A    51_A      A    51_A     0.376     0    0.072   0.075     0.963   95.238   96.190
LGA    A    52_A      A    52_A     0.740     0    0.134   0.148     1.440   88.214   88.667
LGA    C    53_A      C    53_A     1.010     0    0.104   0.116     1.352   83.690   82.937
LGA    S    54_A      S    54_A     1.222     0    0.070   0.081     1.454   81.429   81.429
LGA    D    55_A      D    55_A     1.353     0    0.034   0.787     4.440   81.429   68.750
LGA    Y    56_A      Y    56_A     1.260     0    0.030   0.066     1.805   85.952   77.937
LGA    F    57_A      F    57_A     0.806     0    0.042   0.120     1.145   90.476   88.009
LGA    R    58_A      R    58_A     0.731     0    0.065   1.433     7.748   90.476   62.684
LGA    A    59_A      A    59_A     0.916     0    0.007   0.015     1.025   90.476   88.667
LGA    M    60_A      M    60_A     0.764     0    0.118   1.168     3.409   90.476   79.048
LGA    F    61_A      F    61_A     0.612     0    0.019   0.073     0.936   90.476   91.342
LGA    T    62_A      T    62_A     1.158     0    0.664   1.320     3.857   77.619   71.429
LGA    G    63_A      G    63_A     2.188     0    0.113   0.113     2.188   66.786   66.786
LGA    G    64_A      G    64_A     1.262     0    0.049   0.049     1.435   81.429   81.429
LGA    M    65_A      M    65_A     1.579     0    0.180   0.984     2.570   77.143   71.012
LGA    R    66_A      R    66_A     1.597     0    0.012   1.509    10.841   77.143   41.905
LGA    E    67_A      E    67_A     1.483     0    0.037   1.077     4.092   79.286   66.508
LGA    A    68_A      A    68_A     1.422     0    0.066   0.067     2.218   77.381   76.476
LGA    S    69_A      S    69_A     0.988     0    0.034   0.057     1.194   85.952   87.460
LGA    Q    70_A      Q    70_A     1.521     0    0.636   0.944     4.668   67.619   62.593
LGA    D    71_A      D    71_A     1.542     0    0.127   0.297     2.037   79.286   75.060
LGA    V    72_A      V    72_A     1.825     0    0.023   0.049     2.393   68.810   69.388
LGA    I    73_A      I    73_A     2.098     0    0.052   0.618     2.520   70.833   68.929
LGA    E    74_A      E    74_A     1.703     0    0.006   0.076     1.986   72.857   75.714
LGA    L    75_A      L    75_A     1.724     0    0.026   0.170     1.834   72.857   76.071
LGA    K    76_A      K    76_A     1.988     0    0.661   0.768     3.478   65.119   66.772
LGA    G    77_A      G    77_A     2.835     0    0.129   0.129     2.905   57.143   57.143
LGA    V    78_A      V    78_A     1.915     0    0.056   0.079     2.388   75.119   72.993
LGA    S    79_A      S    79_A     1.518     0    0.150   0.521     2.070   77.143   77.302
LGA    A    80_A      A    80_A     1.592     0    0.042   0.051     1.898   77.143   76.286
LGA    R    81_A      R    81_A     1.235     0    0.026   1.045     7.073   85.952   63.593
LGA    G    82_A      G    82_A     0.466     0    0.082   0.082     0.793   97.619   97.619
LGA    L    83_A      L    83_A     0.581     0    0.024   0.152     1.074   92.857   90.536
LGA    R    84_A      R    84_A     0.622     0    0.045   1.156     6.133   90.476   62.684
LGA    H    85_A      H    85_A     0.536     0    0.025   0.237     1.127   95.238   90.571
LGA    I    86_A      I    86_A     0.360     0    0.026   0.624     1.878  100.000   95.417
LGA    I    87_A      I    87_A     0.425     0    0.046   0.052     1.222  100.000   94.107
LGA    D    88_A      D    88_A     0.502     0    0.023   0.147     1.275   95.238   91.726
LGA    F    89_A      F    89_A     0.437     0    0.105   0.126     1.041   97.619   91.429
LGA    A    90_A      A    90_A     0.463     0    0.016   0.021     0.842   95.238   96.190
LGA    Y    91_A      Y    91_A     0.641     0    0.049   0.173     1.808   90.476   85.278
LGA    S    92_A      S    92_A     0.787     0    0.063   0.061     1.091   90.476   88.968
LGA    A    93_A      A    93_A     1.200     0    0.027   0.029     1.337   83.690   83.238
LGA    E    94_A      E    94_A     1.557     0    0.648   0.508     3.585   71.429   65.397
LGA    V    95_A      V    95_A     1.512     0    0.591   0.945     4.256   61.905   63.401
LGA    T    96_A      T    96_A     1.526     0    0.305   1.116     4.288   75.000   67.823
LGA    L    97_A      L    97_A     1.692     0    0.092   0.152     1.776   72.857   77.143
LGA    D    98_A      D    98_A     2.255     0    0.140   0.974     4.058   66.786   60.417
LGA    L    99_A      L    99_A     2.694     0    0.096   1.377     4.436   60.952   58.571
LGA    D   100_A      D   100_A     1.587     0    0.110   0.907     4.891   77.143   63.571
LGA    C   101_A      C   101_A     0.897     0    0.053   0.118     1.071   88.214   88.968
LGA    V   102_A      V   102_A     1.156     0    0.046   1.026     3.462   81.429   74.558
LGA    Q   103_A      Q   103_A     1.495     0    0.049   0.857     2.437   83.690   76.825
LGA    D   104_A      D   104_A     0.906     0    0.019   0.063     1.805   92.976   86.190
LGA    V   105_A      V   105_A     0.442     0    0.021   0.043     0.889   95.238   93.197
LGA    L   106_A      L   106_A     0.785     0    0.045   0.984     2.461   90.476   83.929
LGA    G   107_A      G   107_A     0.371     0    0.061   0.061     0.558   97.619   97.619
LGA    A   108_A      A   108_A     0.323     0    0.031   0.037     0.719   95.238   96.190
LGA    A   109_A      A   109_A     0.744     0    0.018   0.023     0.901   90.476   90.476
LGA    V   110_A      V   110_A     0.828     0    0.017   0.034     1.007   88.214   89.184
LGA    F   111_A      F   111_A     0.886     0    0.019   0.451     1.661   90.476   83.983
LGA    L   112_A      L   112_A     0.556     0    0.024   0.061     0.777   90.476   92.857
LGA    Q   113_A      Q   113_A     1.008     0    0.027   0.809     3.302   83.690   74.392
LGA    M   114_A      M   114_A     1.069     0    0.073   0.673     1.757   88.214   84.881
LGA    L   115_A      L   115_A     0.926     0    0.040   1.430     3.880   88.214   74.048
LGA    P   116_A      P   116_A     1.168     0    0.029   0.055     1.660   81.429   77.755
LGA    V   117_A      V   117_A     0.879     0    0.063   0.896     2.322   90.476   85.510
LGA    V   118_A      V   118_A     0.839     0    0.037   0.056     0.863   90.476   90.476
LGA    E   119_A      E   119_A     0.897     0    0.026   0.436     2.320   90.476   81.693
LGA    L   120_A      L   120_A     0.981     0    0.016   0.064     1.260   90.476   87.083
LGA    C   121_A      C   121_A     0.947     0    0.020   0.064     1.231   90.476   87.460
LGA    E   122_A      E   122_A     1.009     0    0.040   0.771     2.497   85.952   81.587
LGA    E   123_A      E   123_A     0.884     0    0.016   0.970     5.518   90.476   63.598
LGA    F   124_A      F   124_A     0.881     0    0.030   0.489     2.921   90.476   78.788
LGA    L   125_A      L   125_A     1.111     0    0.052   1.363     2.681   83.690   78.571
LGA    K   126_A      K   126_A     1.168     0    0.026   1.020     5.627   81.429   62.063
LGA    A   127_A      A   127_A     0.927     0    0.013   0.018     1.000   90.476   88.667
LGA    A   128_A      A   128_A     0.742     0    0.038   0.044     0.872   90.476   90.476
LGA    M   129_A      M   129_A     1.457     0    0.046   0.156     1.965   77.143   75.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     949    949  100.00               125
SUMMARY(RMSD_GDC):     8.367          8.277                  8.676           78.652   74.152

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    117    1.37    82.600    87.510     7.967

LGA_LOCAL      RMSD:   1.369  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   8.994  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   8.367  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.621055 * X  +   0.641456 * Y  +   0.450360 * Z  + -24.460855
  Y_new =   0.132295 * X  +   0.480569 * Y  +  -0.866921 * Z  + -17.655855
  Z_new =  -0.772521 * X  +   0.597986 * Y  +   0.213598 * Z  + -34.392029 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.209880  0.882802  1.227725   [DEG:   12.0252   50.5808   70.3435 ]
ZXZ:  0.479121  1.355540 -0.912067   [DEG:   27.4516   77.6667  -52.2576 ]
 
# END of job
