
#######################################################
#                                                     #
#                        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       4.32     7.90
  LCS_AVERAGE:     95.58

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      12_A - 129_A       1.75     8.18
  LCS_AVERAGE:     89.80

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    53      77_A - 129_A       0.95     8.25
  LCS_AVERAGE:     35.78

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      4    9   17      3    4    6    7    8    8    9   10   12   12   13   14   15   16   18   19   20   21   21   22 
LCS_GDT     K     6_A     K     6_A      6    9   17      3    4    6    7    8    9    9   10   12   13   15   16   17   18   19   20   20   23   24   25 
LCS_GDT     C     7_A     C     7_A      6    9   17      5    6    6    7    8    9    9   10   12   13   15   17   17   18   19   22   22   26   27   28 
LCS_GDT     T     8_A     T     8_A      6    9  122      5    6    6    7    8    9    9   10   12   13   15   17   17   21   21   25   26   27   31   35 
LCS_GDT     F     9_A     F     9_A      6    9  122      5    6    6    7    8    9    9   10   12   13   15   17   19   23   26   36   37   40   52   56 
LCS_GDT     S    10_A     S    10_A      6    9  122      5    6    6    7    8    9    9   11   12   16   28   34   47   55   61   77   88   96  102  111 
LCS_GDT     A    11_A     A    11_A      6   53  122      5    6    6    7    8    9   10   12   18   26   35   41   60   90  101  113  119  119  119  119 
LCS_GDT     P    12_A     P    12_A      6  118  122      5    6    6   14   39   53   85  112  115  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     S    13_A     S    13_A     51  118  122     10   37   84  101  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     H    14_A     H    14_A     51  118  122     26   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     S    15_A     S    15_A     51  118  122     26   66   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     T    16_A     T    16_A     51  118  122     26   63   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     S    17_A     S    17_A     51  118  122     24   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     L    18_A     L    18_A     51  118  122     24   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     L    19_A     L    19_A     51  118  122     26   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     Q    20_A     Q    20_A     51  118  122     26   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     G    21_A     G    21_A     51  118  122     26   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     L    22_A     L    22_A     51  118  122     26   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     A    23_A     A    23_A     51  118  122     26   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     T    24_A     T    24_A     51  118  122     26   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     L    25_A     L    25_A     51  118  122     26   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     R    26_A     R    26_A     51  118  122     26   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     A    27_A     A    27_A     51  118  122     26   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     Q    28_A     Q    28_A     51  118  122     24   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     G    29_A     G    29_A     51  118  122     26   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     Q    30_A     Q    30_A     51  118  122     26   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     L    31_A     L    31_A     51  118  122     26   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     L    32_A     L    32_A     51  118  122     26   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     D    33_A     D    33_A     51  118  122      4   51   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     V    34_A     V    34_A     51  118  122     10   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     V    35_A     V    35_A     51  118  122     18   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     L    36_A     L    36_A     51  118  122      8   67   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     T    37_A     T    37_A     51  118  122      6   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     I    38_A     I    38_A     51  118  122      8   14   73  101  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     N    39_A     N    39_A     51  118  122      8   14   58  101  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     R    40_A     R    40_A     51  118  122      5   56   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     E    41_A     E    41_A     51  118  122     21   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     A    42_A     A    42_A     51  118  122     21   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     F    43_A     F    43_A     51  118  122     21   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     P    44_A     P    44_A     51  118  122     16   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     A    45_A     A    45_A     51  118  122     20   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     H    46_A     H    46_A     51  118  122     22   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     K    47_A     K    47_A     51  118  122     22   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     V    48_A     V    48_A     51  118  122     22   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     V    49_A     V    49_A     51  118  122     24   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     L    50_A     L    50_A     51  118  122     26   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     A    51_A     A    51_A     51  118  122     26   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     A    52_A     A    52_A     51  118  122     26   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     C    53_A     C    53_A     51  118  122     10   46   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     S    54_A     S    54_A     51  118  122     24   65   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     D    55_A     D    55_A     51  118  122     26   65   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     Y    56_A     Y    56_A     51  118  122     26   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     F    57_A     F    57_A     51  118  122     26   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     R    58_A     R    58_A     51  118  122     26   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     A    59_A     A    59_A     51  118  122     26   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     M    60_A     M    60_A     51  118  122     26   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     F    61_A     F    61_A     51  118  122     26   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     T    62_A     T    62_A     51  118  122      8   48   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     G    63_A     G    63_A     51  118  122     10   58   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     G    64_A     G    64_A     25  118  122      3   20   65  100  106  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     M    65_A     M    65_A      5  118  122      3    8   12   17   43   82  109  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     R    66_A     R    66_A      5  118  122      3    4   30   54   91  108  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     E    67_A     E    67_A      5  118  122      3    4    5    6    9   47   86   95   99  115  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     A    68_A     A    68_A      5  118  122      3    4   10   13   28   49   66  110  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     S    69_A     S    69_A      5  118  122      3    4   74  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     Q    70_A     Q    70_A      3  118  122      3   25   55   75   89  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     D    71_A     D    71_A      5  118  122      3    5    5   78  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     V    72_A     V    72_A      5  118  122      4    5   12   28   84   98  107  113  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     I    73_A     I    73_A      5  118  122      4    5   40   94  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     E    74_A     E    74_A      5  118  122      4    5    6   33   47   95  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     L    75_A     L    75_A     22  118  122      4    5   13   44  105  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     K    76_A     K    76_A     39  118  122      3    9   57   93  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     G    77_A     G    77_A     53  118  122     13   41   76  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     V    78_A     V    78_A     53  118  122     13   44   91  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     S    79_A     S    79_A     53  118  122     14   50   91  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     A    80_A     A    80_A     53  118  122     19   65   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     R    81_A     R    81_A     53  118  122     12   55   93  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     G    82_A     G    82_A     53  118  122     16   65   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     L    83_A     L    83_A     53  118  122     22   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     R    84_A     R    84_A     53  118  122     20   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     H    85_A     H    85_A     53  118  122     21   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     I    86_A     I    86_A     53  118  122     21   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     I    87_A     I    87_A     53  118  122     22   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     D    88_A     D    88_A     53  118  122     22   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     F    89_A     F    89_A     53  118  122     22   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     A    90_A     A    90_A     53  118  122     22   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     Y    91_A     Y    91_A     53  118  122     24   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     S    92_A     S    92_A     53  118  122     21   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     A    93_A     A    93_A     53  118  122     21   65   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     E    94_A     E    94_A     53  118  122     21   65   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     V    95_A     V    95_A     53  118  122     24   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     T    96_A     T    96_A     53  118  122     22   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     L    97_A     L    97_A     53  118  122     10   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     D    98_A     D    98_A     53  118  122      4   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     L    99_A     L    99_A     53  118  122     17   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     D   100_A     D   100_A     53  118  122      4   53   91  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     C   101_A     C   101_A     53  118  122     20   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     V   102_A     V   102_A     53  118  122     22   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     Q   103_A     Q   103_A     53  118  122     24   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     D   104_A     D   104_A     53  118  122     24   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     V   105_A     V   105_A     53  118  122     24   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     L   106_A     L   106_A     53  118  122     24   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     G   107_A     G   107_A     53  118  122     24   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     A   108_A     A   108_A     53  118  122     24   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     A   109_A     A   109_A     53  118  122     24   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     V   110_A     V   110_A     53  118  122     22   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     F   111_A     F   111_A     53  118  122     22   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     L   112_A     L   112_A     53  118  122     21   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     Q   113_A     Q   113_A     53  118  122     24   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     M   114_A     M   114_A     53  118  122     19   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     L   115_A     L   115_A     53  118  122     19   64   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     P   116_A     P   116_A     53  118  122     19   60   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     V   117_A     V   117_A     53  118  122     22   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     V   118_A     V   118_A     53  118  122     22   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     E   119_A     E   119_A     53  118  122     20   60   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     L   120_A     L   120_A     53  118  122     19   60   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     C   121_A     C   121_A     53  118  122     22   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     E   122_A     E   122_A     53  118  122     22   66   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     E   123_A     E   123_A     53  118  122     19   60   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     F   124_A     F   124_A     53  118  122     22   66   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     L   125_A     L   125_A     53  118  122     22   68   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     K   126_A     K   126_A     53  118  122     22   64   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     A   127_A     A   127_A     53  118  122     22   66   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     A   128_A     A   128_A     53  118  122     22   66   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_GDT     M   129_A     M   129_A     53  118  122     22   66   95  102  107  109  112  114  116  117  118  118  118  118  118  118  119  119  119  119 
LCS_AVERAGE  LCS_A:  73.72  (  35.78   89.80   95.58 )

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     26     68     95    102    107    109    112    114    116    117    118    118    118    118    118    118    119    119    119    119 
GDT PERCENT_AT  20.80  54.40  76.00  81.60  85.60  87.20  89.60  91.20  92.80  93.60  94.40  94.40  94.40  94.40  94.40  94.40  95.20  95.20  95.20  95.20
GDT RMS_LOCAL    0.35   0.70   0.91   1.04   1.17   1.22   1.34   1.45   1.57   1.65   1.75   1.75   1.75   1.75   1.75   1.75   2.08   2.08   2.08   2.08
GDT RMS_ALL_AT   8.06   8.23   8.20   8.22   8.22   8.22   8.21   8.21   8.21   8.19   8.18   8.18   8.18   8.18   8.18   8.18   8.14   8.14   8.14   8.14

# Checking swapping
#   possible swapping detected:  F     9_A      F     9_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  D    55_A      D    55_A
#   possible swapping detected:  F    57_A      F    57_A
#   possible swapping detected:  F    61_A      F    61_A
#   possible swapping detected:  D    71_A      D    71_A
#   possible swapping detected:  D    88_A      D    88_A
#   possible swapping detected:  D   104_A      D   104_A
#   possible swapping detected:  F   111_A      F   111_A
#   possible swapping detected:  E   119_A      E   119_A
#   possible swapping detected:  E   122_A      E   122_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     5_A      L     5_A    50.937     0    0.409   1.412    53.152    0.000    0.000
LGA    K     6_A      K     6_A    44.293     0    0.080   1.155    46.638    0.000    0.000
LGA    C     7_A      C     7_A    37.949     0    0.099   0.693    40.138    0.000    0.000
LGA    T     8_A      T     8_A    30.983     0    0.027   0.033    33.420    0.000    0.000
LGA    F     9_A      F     9_A    25.071     0    0.039   1.230    33.321    0.000    0.000
LGA    S    10_A      S    10_A    17.858     0    0.062   0.126    20.336    0.000    0.000
LGA    A    11_A      A    11_A    12.481     0    0.233   0.320    14.373    0.238    0.190
LGA    P    12_A      P    12_A     5.786     0    0.618   0.616     9.047   25.119   19.320
LGA    S    13_A      S    13_A     2.084     0    0.223   0.239     3.461   69.405   69.206
LGA    H    14_A      H    14_A     0.765     0    0.036   1.375     7.105   90.595   58.048
LGA    S    15_A      S    15_A     1.137     0    0.063   0.671     1.669   83.690   81.508
LGA    T    16_A      T    16_A     1.358     0    0.056   0.098     1.937   81.429   77.755
LGA    S    17_A      S    17_A     0.969     0    0.072   0.071     1.068   88.214   88.968
LGA    L    18_A      L    18_A     0.742     0    0.024   0.254     1.386   90.476   89.345
LGA    L    19_A      L    19_A     0.917     0    0.052   1.380     3.707   90.476   78.036
LGA    Q    20_A      Q    20_A     1.120     0    0.000   1.155     4.792   81.429   67.460
LGA    G    21_A      G    21_A     0.962     0    0.023   0.023     1.054   88.214   88.214
LGA    L    22_A      L    22_A     0.905     0    0.000   0.066     1.080   85.952   88.214
LGA    A    23_A      A    23_A     1.131     0    0.036   0.037     1.186   81.429   81.429
LGA    T    24_A      T    24_A     1.133     0    0.063   1.148     3.544   81.429   75.986
LGA    L    25_A      L    25_A     1.012     0    0.000   0.182     1.089   81.429   86.012
LGA    R    26_A      R    26_A     1.168     0    0.012   0.797     2.168   81.429   77.576
LGA    A    27_A      A    27_A     1.244     0    0.071   0.070     1.540   79.286   79.714
LGA    Q    28_A      Q    28_A     1.351     0    0.238   0.772     1.797   79.286   78.571
LGA    G    29_A      G    29_A     1.495     0    0.108   0.108     1.696   79.286   79.286
LGA    Q    30_A      Q    30_A     1.291     0    0.039   0.814     2.930   83.690   74.233
LGA    L    31_A      L    31_A     0.924     0    0.139   1.219     4.497   88.214   74.345
LGA    L    32_A      L    32_A     0.882     0    0.063   0.107     1.266   83.690   84.821
LGA    D    33_A      D    33_A     1.548     0    0.202   1.029     2.958   83.810   75.357
LGA    V    34_A      V    34_A     1.004     0    0.055   1.196     3.396   85.952   77.347
LGA    V    35_A      V    35_A     0.911     0    0.047   0.072     1.140   88.214   85.306
LGA    L    36_A      L    36_A     1.093     0    0.067   1.415     3.435   83.690   75.476
LGA    T    37_A      T    37_A     1.091     0    0.093   1.076     2.271   81.429   76.667
LGA    I    38_A      I    38_A     2.098     0    0.046   1.301     3.652   68.810   67.202
LGA    N    39_A      N    39_A     2.471     0    0.084   0.991     2.888   64.762   70.119
LGA    R    40_A      R    40_A     1.384     0    0.037   0.717     3.585   83.810   67.013
LGA    E    41_A      E    41_A     0.642     0    0.061   0.106     0.986   90.476   91.534
LGA    A    42_A      A    42_A     0.634     0    0.071   0.073     0.974   90.476   90.476
LGA    F    43_A      F    43_A     1.024     0    0.091   0.210     2.333   85.952   76.190
LGA    P    44_A      P    44_A     0.975     0    0.047   0.106     1.253   90.476   86.599
LGA    A    45_A      A    45_A     0.547     0    0.085   0.085     0.655   90.476   92.381
LGA    H    46_A      H    46_A     0.504     0    0.070   1.112     2.362   97.619   85.524
LGA    K    47_A      K    47_A     0.755     0    0.039   0.772     6.400   92.857   64.762
LGA    V    48_A      V    48_A     0.845     0    0.078   0.933     2.624   90.476   83.129
LGA    V    49_A      V    49_A     0.490     0    0.035   0.048     0.770   95.238   93.197
LGA    L    50_A      L    50_A     0.496     0    0.042   0.127     1.483   97.619   91.786
LGA    A    51_A      A    51_A     0.428     0    0.100   0.103     1.154   92.976   92.476
LGA    A    52_A      A    52_A     0.808     0    0.195   0.221     1.435   88.214   86.857
LGA    C    53_A      C    53_A     1.478     0    0.236   0.801     2.144   83.690   80.159
LGA    S    54_A      S    54_A     0.940     0    0.084   0.786     2.566   90.595   85.000
LGA    D    55_A      D    55_A     1.039     0    0.078   0.203     2.603   88.214   76.548
LGA    Y    56_A      Y    56_A     0.609     0    0.033   0.169     1.843   95.238   86.151
LGA    F    57_A      F    57_A     0.290     0    0.025   0.131     1.229  100.000   93.160
LGA    R    58_A      R    58_A     0.546     0    0.045   1.492     6.825   92.857   69.481
LGA    A    59_A      A    59_A     0.703     0    0.050   0.049     0.800   90.476   90.476
LGA    M    60_A      M    60_A     0.533     0    0.046   1.200     3.830   90.476   78.393
LGA    F    61_A      F    61_A     0.990     0    0.130   0.140     1.720   83.810   80.736
LGA    T    62_A      T    62_A     1.616     0    0.153   0.222     2.608   79.286   71.973
LGA    G    63_A      G    63_A     1.288     0    0.241   0.241     1.291   83.690   83.690
LGA    G    64_A      G    64_A     2.664     0    0.257   0.257     5.120   49.881   49.881
LGA    M    65_A      M    65_A     4.552     0    0.582   1.132     8.898   43.690   27.083
LGA    R    66_A      R    66_A     3.785     0    0.187   1.365     7.612   41.905   25.411
LGA    E    67_A      E    67_A     6.596     0    0.111   1.172    14.141   20.595    9.471
LGA    A    68_A      A    68_A     5.247     0    0.121   0.116     6.481   34.762   31.238
LGA    S    69_A      S    69_A     2.471     0    0.566   0.794     4.820   55.952   49.762
LGA    Q    70_A      Q    70_A     3.802     0    0.614   1.003    11.471   51.905   26.243
LGA    D    71_A      D    71_A     3.054     0    0.648   0.866     8.466   49.048   30.893
LGA    V    72_A      V    72_A     4.543     0    0.051   0.156     8.402   36.071   23.401
LGA    I    73_A      I    73_A     2.981     0    0.031   0.057     8.272   48.571   34.167
LGA    E    74_A      E    74_A     4.125     0    0.052   0.074    11.238   41.905   21.640
LGA    L    75_A      L    75_A     3.165     0    0.264   0.305     7.961   57.381   37.798
LGA    K    76_A      K    76_A     3.200     0    0.659   0.775     6.169   38.571   39.259
LGA    G    77_A      G    77_A     2.603     0    0.111   0.111     3.188   57.262   57.262
LGA    V    78_A      V    78_A     1.928     0    0.047   0.069     2.212   72.976   71.769
LGA    S    79_A      S    79_A     1.658     0    0.042   0.578     1.931   77.143   77.143
LGA    A    80_A      A    80_A     1.286     0    0.038   0.035     1.457   81.429   81.429
LGA    R    81_A      R    81_A     1.656     0    0.045   0.757     5.439   77.143   56.926
LGA    G    82_A      G    82_A     1.300     0    0.021   0.021     1.334   83.690   83.690
LGA    L    83_A      L    83_A     0.835     0    0.055   0.117     0.994   92.857   92.857
LGA    R    84_A      R    84_A     0.849     0    0.045   1.601     9.158   90.476   51.385
LGA    H    85_A      H    85_A     0.915     0    0.055   0.708     2.304   90.476   81.667
LGA    I    86_A      I    86_A     0.847     0    0.035   0.704     1.584   90.476   87.143
LGA    I    87_A      I    87_A     0.457     0    0.028   0.047     0.617   97.619   97.619
LGA    D    88_A      D    88_A     0.607     0    0.019   0.162     0.748   90.476   91.667
LGA    F    89_A      F    89_A     0.574     0    0.053   0.067     0.701   92.857   91.342
LGA    A    90_A      A    90_A     0.435     0    0.040   0.039     0.527  100.000   98.095
LGA    Y    91_A      Y    91_A     0.276     0    0.161   0.166     0.949   97.619   95.238
LGA    S    92_A      S    92_A     0.967     0    0.676   0.585     2.928   79.881   74.921
LGA    A    93_A      A    93_A     1.367     0    0.268   0.253     2.023   72.976   76.476
LGA    E    94_A      E    94_A     1.442     0    0.074   0.927     4.276   85.952   66.349
LGA    V    95_A      V    95_A     0.109     0    0.076   1.013     2.923   92.857   85.782
LGA    T    96_A      T    96_A     1.169     0    0.095   0.124     2.129   85.952   79.184
LGA    L    97_A      L    97_A     0.935     0    0.165   1.404     2.727   90.476   79.881
LGA    D    98_A      D    98_A     1.550     0    0.094   1.064     3.137   83.810   72.440
LGA    L    99_A      L    99_A     1.063     0    0.125   0.181     2.158   79.524   76.250
LGA    D   100_A      D   100_A     1.705     0    0.034   0.921     4.465   77.143   68.631
LGA    C   101_A      C   101_A     0.683     0    0.051   0.770     2.734   90.476   86.508
LGA    V   102_A      V   102_A     0.492     0    0.069   1.003     2.211   92.857   85.850
LGA    Q   103_A      Q   103_A     0.515     0    0.035   0.890     3.509   92.857   80.899
LGA    D   104_A      D   104_A     0.460     0    0.000   0.154     1.173  100.000   95.298
LGA    V   105_A      V   105_A     0.302     0    0.059   0.086     0.579  100.000   97.279
LGA    L   106_A      L   106_A     0.318     0    0.009   0.065     0.495  100.000  100.000
LGA    G   107_A      G   107_A     0.319     0    0.016   0.016     0.418  100.000  100.000
LGA    A   108_A      A   108_A     0.381     0    0.031   0.047     0.547  100.000   98.095
LGA    A   109_A      A   109_A     0.268     0    0.062   0.059     0.614   97.619   98.095
LGA    V   110_A      V   110_A     0.686     0    0.046   0.063     0.791   90.476   90.476
LGA    F   111_A      F   111_A     0.944     0    0.026   0.434     2.765   90.476   74.286
LGA    L   112_A      L   112_A     0.655     0    0.136   0.143     1.628   92.857   86.131
LGA    Q   113_A      Q   113_A     0.048     0    0.027   0.274     0.933   97.619   96.825
LGA    M   114_A      M   114_A     0.811     0    0.061   1.125     2.827   92.857   83.036
LGA    L   115_A      L   115_A     1.171     0    0.022   0.173     1.554   81.429   80.357
LGA    P   116_A      P   116_A     1.426     0    0.058   0.599     3.345   81.429   74.490
LGA    V   117_A      V   117_A     0.750     0    0.012   0.068     1.110   95.238   91.905
LGA    V   118_A      V   118_A     0.350     0    0.033   0.064     0.875   95.238   93.197
LGA    E   119_A      E   119_A     1.185     0    0.034   0.379     2.664   83.690   75.979
LGA    L   120_A      L   120_A     1.166     0    0.053   1.406     3.551   81.429   71.548
LGA    C   121_A      C   121_A     0.489     0    0.027   0.052     0.740   92.857   93.651
LGA    E   122_A      E   122_A     1.054     0    0.034   0.814     3.471   83.690   73.386
LGA    E   123_A      E   123_A     1.532     0    0.029   1.034     6.264   79.286   54.868
LGA    F   124_A      F   124_A     0.925     0    0.000   0.278     1.203   88.214   87.186
LGA    L   125_A      L   125_A     0.811     0    0.027   0.080     0.894   90.476   90.476
LGA    K   126_A      K   126_A     1.220     0    0.037   1.441     7.473   81.429   59.101
LGA    A   127_A      A   127_A     1.012     0    0.042   0.043     1.082   85.952   85.048
LGA    A   128_A      A   128_A     0.891     0    0.050   0.056     0.929   90.476   90.476
LGA    M   129_A      M   129_A     1.092     0    0.094   1.094     6.590   83.690   68.512

# 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):     7.737          7.613                  8.235           77.280   71.102

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    114    1.45    80.400    86.267     7.363

LGA_LOCAL      RMSD:   1.448  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   8.209  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   7.737  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.012598 * X  +   0.999885 * Y  +  -0.008471 * Z  + -13.041141
  Y_new =   0.988798 * X  +   0.013717 * Y  +   0.148631 * Z  + -21.475534
  Z_new =   0.148730 * X  +  -0.006504 * Y  +  -0.988856 * Z  + 132.150543 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.583536 -0.149284 -3.135016   [DEG:   90.7299   -8.5533 -179.6232 ]
ZXZ: -3.084661  2.992165  1.614496   [DEG: -176.7381  171.4384   92.5038 ]
 
# END of job
