
#######################################################
#                                                     #
#                        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:   121       9_A - 129_A       4.61     9.30
  LCS_AVERAGE:     94.19

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62      68_A - 129_A       1.92     9.57
  LCS_AVERAGE:     42.82

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    48      15_A - 62_A        0.96     9.77
  LCS_AVERAGE:     32.76

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      5    9   19      3    4    8   10   10   10   11   12   14   14   15   18   19   20   20   22   23   27   27   27 
LCS_GDT     K     6_A     K     6_A      8   10   19      3    4    8   10   10   10   11   12   14   14   15   18   19   20   21   23   26   27   27   27 
LCS_GDT     C     7_A     C     7_A      8   10   19      3    7    8   10   10   10   11   12   14   14   16   18   19   20   21   23   26   27   27   29 
LCS_GDT     T     8_A     T     8_A      8   10   19      3    7    8   10   10   10   11   12   14   14   16   18   19   20   21   23   26   27   31   32 
LCS_GDT     F     9_A     F     9_A      8   10  121      3    7    8   10   10   10   11   12   14   14   16   18   19   21   21   25   29   33   35   46 
LCS_GDT     S    10_A     S    10_A      8   10  121      3    7    8   10   10   10   11   12   14   14   16   19   28   36   47   50   55   58   65   73 
LCS_GDT     A    11_A     A    11_A      8   10  121      3    7    8   10   10   10   11   12   14   17   22   32   38   50   53   64   74   90   99  106 
LCS_GDT     P    12_A     P    12_A      8   10  121      3    7    8   10   12   16   22   28   46   61   78   92  108  114  116  117  117  117  118  118 
LCS_GDT     S    13_A     S    13_A      8   52  121      4    7    8   10   10   11   17   31   49   65   81  108  113  114  116  117  117  117  118  118 
LCS_GDT     H    14_A     H    14_A      4   52  121      4    4    4    8   22   40   71   84  108  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     S    15_A     S    15_A     48   52  121      4   13   31   82  104  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     T    16_A     T    16_A     48   52  121     17   67   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     S    17_A     S    17_A     48   52  121     13   66   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     L    18_A     L    18_A     48   52  121     23   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     L    19_A     L    19_A     48   52  121     14   71   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     Q    20_A     Q    20_A     48   52  121     27   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     G    21_A     G    21_A     48   52  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     L    22_A     L    22_A     48   52  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     A    23_A     A    23_A     48   52  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     T    24_A     T    24_A     48   52  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     L    25_A     L    25_A     48   52  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     R    26_A     R    26_A     48   52  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     A    27_A     A    27_A     48   52  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     Q    28_A     Q    28_A     48   52  121     31   72   90  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     G    29_A     G    29_A     48   52  121     27   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     Q    30_A     Q    30_A     48   52  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     L    31_A     L    31_A     48   52  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     L    32_A     L    32_A     48   52  121     31   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     D    33_A     D    33_A     48   52  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     V    34_A     V    34_A     48   52  121     18   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     V    35_A     V    35_A     48   52  121     18   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     L    36_A     L    36_A     48   52  121     30   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     T    37_A     T    37_A     48   52  121     21   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     I    38_A     I    38_A     48   52  121      4   42   90  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     N    39_A     N    39_A     48   52  121      4   10   41  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     R    40_A     R    40_A     48   52  121      3    3   61   97  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     E    41_A     E    41_A     48   52  121     21   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     A    42_A     A    42_A     48   52  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     F    43_A     F    43_A     48   52  121     12   65   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     P    44_A     P    44_A     48   52  121     15   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     A    45_A     A    45_A     48   52  121     30   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     H    46_A     H    46_A     48   52  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     K    47_A     K    47_A     48   52  121     25   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     V    48_A     V    48_A     48   52  121     20   71   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     V    49_A     V    49_A     48   52  121     15   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     L    50_A     L    50_A     48   52  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     A    51_A     A    51_A     48   52  121     29   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     A    52_A     A    52_A     48   52  121     15   60   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     C    53_A     C    53_A     48   52  121     15   35   87  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     S    54_A     S    54_A     48   52  121     29   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     D    55_A     D    55_A     48   52  121     30   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     Y    56_A     Y    56_A     48   52  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     F    57_A     F    57_A     48   52  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     R    58_A     R    58_A     48   52  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     A    59_A     A    59_A     48   52  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     M    60_A     M    60_A     48   52  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     F    61_A     F    61_A     48   52  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     T    62_A     T    62_A     48   52  121     23   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     G    63_A     G    63_A     23   52  121      3   12   24   70  101  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     G    64_A     G    64_A      4   52  121      3    7   23   50   76  103  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     M    65_A     M    65_A      5   51  121      3    4    6    8   12   22   39   46   74  103  111  112  113  114  116  117  117  117  118  118 
LCS_GDT     R    66_A     R    66_A      5    7  121      4    4    6    6   10   17   21   31   37   69   77  111  113  114  116  117  117  117  118  118 
LCS_GDT     E    67_A     E    67_A      5    6  121      4    4    5    5    6   10   12   13   16   21   27   55   56   80   97  115  116  116  118  118 
LCS_GDT     A    68_A     A    68_A      5   62  121      4    4    5    9   11   13   17   22   35   41   76  105  113  114  116  117  117  117  118  118 
LCS_GDT     S    69_A     S    69_A      5   62  121      4    4    7   27   48   73  100  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     Q    70_A     Q    70_A      4   62  121      3    4    4   35   56   83  106  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     D    71_A     D    71_A     30   62  121     18   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     V    72_A     V    72_A     30   62  121     16   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     I    73_A     I    73_A     40   62  121     18   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     E    74_A     E    74_A     40   62  121      4    4   76  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     L    75_A     L    75_A     40   62  121     25   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     K    76_A     K    76_A     40   62  121      3   24   78   96  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     G    77_A     G    77_A     46   62  121     29   68   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     V    78_A     V    78_A     46   62  121     14   60   90  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     S    79_A     S    79_A     46   62  121      4   60   90  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     A    80_A     A    80_A     47   62  121     29   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     R    81_A     R    81_A     47   62  121     29   68   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     G    82_A     G    82_A     47   62  121     30   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     L    83_A     L    83_A     47   62  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     R    84_A     R    84_A     47   62  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     H    85_A     H    85_A     47   62  121     30   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     I    86_A     I    86_A     47   62  121     29   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     I    87_A     I    87_A     47   62  121     30   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     D    88_A     D    88_A     47   62  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     F    89_A     F    89_A     47   62  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     A    90_A     A    90_A     47   62  121     30   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     Y    91_A     Y    91_A     47   62  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     S    92_A     S    92_A     47   62  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     A    93_A     A    93_A     47   62  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     E    94_A     E    94_A     47   62  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     V    95_A     V    95_A     47   62  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     T    96_A     T    96_A     47   62  121     28   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     L    97_A     L    97_A     47   62  121      4   60   86  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     D    98_A     D    98_A     47   62  121      4   60   86  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     L    99_A     L    99_A     47   62  121     30   72   90  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     D   100_A     D   100_A     47   62  121     21   53   90  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     C   101_A     C   101_A     47   62  121     21   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     V   102_A     V   102_A     47   62  121     21   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     Q   103_A     Q   103_A     47   62  121     21   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     D   104_A     D   104_A     47   62  121     21   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     V   105_A     V   105_A     47   62  121     23   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     L   106_A     L   106_A     47   62  121     25   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     G   107_A     G   107_A     47   62  121     25   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     A   108_A     A   108_A     47   62  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     A   109_A     A   109_A     47   62  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     V   110_A     V   110_A     47   62  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     F   111_A     F   111_A     47   62  121     32   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     L   112_A     L   112_A     47   62  121     18   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     Q   113_A     Q   113_A     47   62  121     13   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     M   114_A     M   114_A     47   62  121     13   41   90  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     L   115_A     L   115_A     47   62  121      7   41   90  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     P   116_A     P   116_A     47   62  121     17   59   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     V   117_A     V   117_A     47   62  121     17   70   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     V   118_A     V   118_A     47   62  121     20   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     E   119_A     E   119_A     47   62  121     17   59   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     L   120_A     L   120_A     47   62  121     17   51   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     C   121_A     C   121_A     47   62  121     17   72   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     E   122_A     E   122_A     47   62  121     17   63   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     E   123_A     E   123_A     47   62  121     17   51   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     F   124_A     F   124_A     47   62  121     17   51   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     L   125_A     L   125_A     47   62  121     17   51   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     K   126_A     K   126_A     47   62  121     17   51   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     A   127_A     A   127_A     45   62  121     10   43   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     A   128_A     A   128_A     37   62  121     17   44   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_GDT     M   129_A     M   129_A     37   62  121      3   43   91  104  106  108  109  111  111  112  112  112  113  114  116  117  117  117  118  118 
LCS_AVERAGE  LCS_A:  56.59  (  32.76   42.82   94.19 )

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     32     72     91    104    106    108    109    111    111    112    112    112    113    114    116    117    117    117    118    118 
GDT PERCENT_AT  25.60  57.60  72.80  83.20  84.80  86.40  87.20  88.80  88.80  89.60  89.60  89.60  90.40  91.20  92.80  93.60  93.60  93.60  94.40  94.40
GDT RMS_LOCAL    0.37   0.66   0.94   1.06   1.11   1.19   1.31   1.59   1.59   1.68   1.68   1.68   1.91   2.09   2.42   2.61   2.61   2.61   2.82   2.82
GDT RMS_ALL_AT   9.79   9.79   9.66   9.67   9.68   9.68   9.67   9.65   9.65   9.64   9.64   9.64   9.62   9.63   9.60   9.55   9.55   9.55   9.55   9.55

# Checking swapping
#   possible swapping detected:  F     9_A      F     9_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  D    71_A      D    71_A
#   possible swapping detected:  D    98_A      D    98_A
#   possible swapping detected:  F   111_A      F   111_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     5_A      L     5_A    56.082     0    0.234   0.284    58.593    0.000    0.000
LGA    K     6_A      K     6_A    50.255     0    0.053   0.606    52.294    0.000    0.000
LGA    C     7_A      C     7_A    43.372     0    0.080   0.720    45.773    0.000    0.000
LGA    T     8_A      T     8_A    36.229     0    0.122   1.088    38.703    0.000    0.000
LGA    F     9_A      F     9_A    30.393     0    0.082   1.315    32.435    0.000    0.000
LGA    S    10_A      S    10_A    23.153     0    0.035   0.088    25.685    0.000    0.000
LGA    A    11_A      A    11_A    17.944     0    0.124   0.143    19.480    0.000    0.000
LGA    P    12_A      P    12_A    10.992     0    0.697   0.626    15.069    0.476    0.272
LGA    S    13_A      S    13_A     8.858     0    0.705   0.932    13.478    7.857    5.238
LGA    H    14_A      H    14_A     6.306     0    0.029   0.161     7.258   26.905   22.810
LGA    S    15_A      S    15_A     2.907     0    0.290   0.346     5.323   57.976   49.206
LGA    T    16_A      T    16_A     1.174     0    0.075   0.079     1.777   81.548   82.789
LGA    S    17_A      S    17_A     1.420     0    0.073   0.062     1.901   81.429   78.571
LGA    L    18_A      L    18_A     1.295     0    0.031   0.995     2.396   81.429   78.274
LGA    L    19_A      L    19_A     1.428     0    0.053   0.163     2.352   81.429   74.107
LGA    Q    20_A      Q    20_A     1.144     0    0.046   0.360     1.805   81.429   80.476
LGA    G    21_A      G    21_A     1.012     0    0.030   0.030     1.101   81.429   81.429
LGA    L    22_A      L    22_A     1.195     0    0.047   0.196     2.186   81.429   77.202
LGA    A    23_A      A    23_A     1.308     0    0.041   0.050     1.390   81.429   81.429
LGA    T    24_A      T    24_A     1.304     0    0.075   1.124     3.843   81.429   75.986
LGA    L    25_A      L    25_A     1.237     0    0.040   0.268     1.923   81.429   81.488
LGA    R    26_A      R    26_A     1.030     0    0.024   1.177     4.634   81.429   77.143
LGA    A    27_A      A    27_A     1.497     0    0.072   0.072     2.040   75.119   74.667
LGA    Q    28_A      Q    28_A     1.704     0    0.164   1.008     2.298   72.857   72.963
LGA    G    29_A      G    29_A     1.615     0    0.085   0.085     1.671   75.000   75.000
LGA    Q    30_A      Q    30_A     1.407     0    0.332   0.442     3.783   69.762   74.339
LGA    L    31_A      L    31_A     1.104     0    0.508   0.500     3.481   85.952   74.524
LGA    L    32_A      L    32_A     1.261     0    0.063   1.151     3.486   79.286   73.393
LGA    D    33_A      D    33_A     1.136     0    0.091   0.152     1.406   81.429   81.429
LGA    V    34_A      V    34_A     0.983     0    0.042   1.013     3.154   90.476   82.177
LGA    V    35_A      V    35_A     0.950     0    0.023   0.053     1.793   88.214   84.082
LGA    L    36_A      L    36_A     0.162     0    0.107   1.060     2.990  100.000   88.869
LGA    T    37_A      T    37_A     0.445     0    0.239   0.274     0.949   97.619   98.639
LGA    I    38_A      I    38_A     1.468     0    0.044   1.095     3.529   79.286   75.655
LGA    N    39_A      N    39_A     2.118     0    0.627   0.927     2.901   66.905   64.940
LGA    R    40_A      R    40_A     2.692     0    0.220   1.556     5.536   67.143   49.784
LGA    E    41_A      E    41_A     0.703     0    0.114   0.648     1.343   92.976   87.566
LGA    A    42_A      A    42_A     0.580     0    0.069   0.068     1.309   92.857   90.571
LGA    F    43_A      F    43_A     1.018     0    0.158   0.241     2.688   90.595   77.965
LGA    P    44_A      P    44_A     0.913     0    0.032   0.365     2.429   88.214   81.701
LGA    A    45_A      A    45_A     0.589     0    0.036   0.072     0.812   90.476   92.381
LGA    H    46_A      H    46_A     0.429     0    0.102   0.126     0.835  100.000   94.286
LGA    K    47_A      K    47_A     0.548     0    0.029   1.064     7.625   95.238   63.598
LGA    V    48_A      V    48_A     0.818     0    0.081   1.265     3.348   90.476   82.109
LGA    V    49_A      V    49_A     0.744     0    0.026   0.070     1.014   90.476   89.184
LGA    L    50_A      L    50_A     0.420     0    0.035   0.047     1.095   97.619   92.976
LGA    A    51_A      A    51_A     0.682     0    0.079   0.075     1.356   85.952   86.857
LGA    A    52_A      A    52_A     1.252     0    0.143   0.146     1.632   81.548   79.810
LGA    C    53_A      C    53_A     1.640     0    0.210   0.756     2.247   81.548   78.730
LGA    S    54_A      S    54_A     0.817     0    0.083   0.490     1.245   88.214   87.460
LGA    D    55_A      D    55_A     0.737     0    0.071   0.744     2.382   90.476   81.845
LGA    Y    56_A      Y    56_A     0.249     0    0.045   0.149     2.413  100.000   87.143
LGA    F    57_A      F    57_A     0.333     0    0.031   0.272     0.979  100.000   96.537
LGA    R    58_A      R    58_A     0.273     0    0.032   0.637     3.625  100.000   74.156
LGA    A    59_A      A    59_A     0.294     0    0.042   0.043     0.329  100.000  100.000
LGA    M    60_A      M    60_A     0.347     0    0.032   1.074     2.399  100.000   88.810
LGA    F    61_A      F    61_A     0.469     0    0.050   0.314     1.363   95.238   89.740
LGA    T    62_A      T    62_A     1.130     0    0.267   0.282     3.820   81.548   67.143
LGA    G    63_A      G    63_A     3.412     0    0.339   0.339     3.412   63.214   63.214
LGA    G    64_A      G    64_A     5.330     0    0.223   0.223     8.934   17.619   17.619
LGA    M    65_A      M    65_A     9.781     0    0.164   0.282    16.235    5.119    2.560
LGA    R    66_A      R    66_A    10.943     0    0.138   1.259    14.019    0.000    0.000
LGA    E    67_A      E    67_A    12.607     0    0.063   1.277    18.014    0.000    0.000
LGA    A    68_A      A    68_A     9.541     0    0.071   0.070     9.891    2.143    2.000
LGA    S    69_A      S    69_A     7.046     0    0.580   0.858    10.809   18.214   12.381
LGA    Q    70_A      Q    70_A     6.078     0    0.050   1.192    11.743   29.405   14.180
LGA    D    71_A      D    71_A     1.352     0    0.696   1.310     6.207   75.119   50.298
LGA    V    72_A      V    72_A     1.310     0    0.053   1.029     3.055   81.429   73.469
LGA    I    73_A      I    73_A     1.176     0    0.058   1.125     3.541   79.286   69.583
LGA    E    74_A      E    74_A     2.022     0    0.177   1.324     8.970   81.786   44.974
LGA    L    75_A      L    75_A     0.981     0    0.236   0.971     5.222   85.952   72.679
LGA    K    76_A      K    76_A     2.478     0    0.624   1.037     5.111   55.238   50.423
LGA    G    77_A      G    77_A     1.199     0    0.102   0.102     1.686   79.286   79.286
LGA    V    78_A      V    78_A     1.769     0    0.049   0.098     2.797   79.286   70.884
LGA    S    79_A      S    79_A     1.656     0    0.094   0.741     2.313   77.143   73.016
LGA    A    80_A      A    80_A     0.835     0    0.056   0.082     1.211   88.214   86.857
LGA    R    81_A      R    81_A     1.118     0    0.042   1.276     9.468   85.952   53.420
LGA    G    82_A      G    82_A     0.936     0    0.038   0.038     1.006   88.214   88.214
LGA    L    83_A      L    83_A     0.414     0    0.037   0.090     0.636   97.619   97.619
LGA    R    84_A      R    84_A     0.507     0    0.064   1.738     7.404   97.619   67.143
LGA    H    85_A      H    85_A     0.754     0    0.061   0.737     1.914   90.476   83.429
LGA    I    86_A      I    86_A     0.698     0    0.029   0.133     0.872   90.476   90.476
LGA    I    87_A      I    87_A     0.334     0    0.034   0.075     0.529  100.000   98.810
LGA    D    88_A      D    88_A     0.315     0    0.038   0.099     0.386  100.000  100.000
LGA    F    89_A      F    89_A     0.377     0    0.042   0.116     0.987  100.000   94.805
LGA    A    90_A      A    90_A     0.335     0    0.037   0.038     0.350  100.000  100.000
LGA    Y    91_A      Y    91_A     0.528     0    0.173   0.164     0.772   92.857   92.063
LGA    S    92_A      S    92_A     0.868     0    0.013   0.056     0.963   90.476   90.476
LGA    A    93_A      A    93_A     0.951     0    0.047   0.054     1.110   88.214   86.857
LGA    E    94_A      E    94_A     0.776     0    0.054   0.155     0.964   90.476   91.534
LGA    V    95_A      V    95_A     0.685     0    0.024   1.182     2.877   90.476   80.952
LGA    T    96_A      T    96_A     0.831     0    0.075   1.142     3.050   85.952   78.435
LGA    L    97_A      L    97_A     1.871     0    0.050   0.957     2.753   77.143   75.298
LGA    D    98_A      D    98_A     1.966     0    0.021   1.071     3.208   79.405   73.333
LGA    L    99_A      L    99_A     1.519     0    0.087   0.901     1.956   77.143   77.202
LGA    D   100_A      D   100_A     1.344     0    0.022   0.944     4.335   79.524   64.405
LGA    C   101_A      C   101_A     0.793     0    0.046   0.693     2.263   90.476   86.190
LGA    V   102_A      V   102_A     0.848     0    0.037   1.119     2.726   88.214   80.748
LGA    Q   103_A      Q   103_A     1.195     0    0.029   0.951     3.135   81.429   71.534
LGA    D   104_A      D   104_A     1.117     0    0.033   0.324     2.215   85.952   79.464
LGA    V   105_A      V   105_A     0.546     0    0.036   1.162     3.118   90.476   81.020
LGA    L   106_A      L   106_A     0.648     0    0.029   1.136     2.413   90.476   82.917
LGA    G   107_A      G   107_A     0.783     0    0.021   0.021     0.783   90.476   90.476
LGA    A   108_A      A   108_A     0.571     0    0.061   0.060     0.767   95.238   94.286
LGA    A   109_A      A   109_A     0.465     0    0.024   0.033     0.561   97.619   96.190
LGA    V   110_A      V   110_A     0.562     0    0.037   0.919     2.220   92.857   85.646
LGA    F   111_A      F   111_A     0.634     0    0.052   0.669     2.785   90.476   78.009
LGA    L   112_A      L   112_A     1.243     0    0.121   0.166     2.288   81.548   76.190
LGA    Q   113_A      Q   113_A     1.315     0    0.084   0.738     2.452   79.286   74.815
LGA    M   114_A      M   114_A     1.746     0    0.082   0.859     2.187   75.000   71.905
LGA    L   115_A      L   115_A     1.727     0    0.022   1.001     3.650   75.000   63.512
LGA    P   116_A      P   116_A     1.379     0    0.057   0.150     2.034   81.429   76.599
LGA    V   117_A      V   117_A     1.192     0    0.026   0.109     1.285   83.690   82.721
LGA    V   118_A      V   118_A     0.691     0    0.034   0.085     1.012   88.214   89.184
LGA    E   119_A      E   119_A     1.117     0    0.045   0.596     3.715   83.690   71.270
LGA    L   120_A      L   120_A     1.358     0    0.044   1.004     4.814   81.429   70.060
LGA    C   121_A      C   121_A     0.772     0    0.042   0.059     0.985   90.476   90.476
LGA    E   122_A      E   122_A     0.790     0    0.057   0.904     3.790   85.952   79.312
LGA    E   123_A      E   123_A     1.579     0    0.038   1.002     6.210   75.000   56.402
LGA    F   124_A      F   124_A     1.422     0    0.031   1.175     5.854   81.429   61.082
LGA    L   125_A      L   125_A     1.242     0    0.029   1.099     2.362   81.429   77.262
LGA    K   126_A      K   126_A     1.465     0    0.041   1.212     5.646   77.143   64.497
LGA    A   127_A      A   127_A     1.682     0    0.024   0.040     1.739   72.857   72.857
LGA    A   128_A      A   128_A     1.694     0    0.071   0.067     1.908   75.000   74.571
LGA    M   129_A      M   129_A     1.786     0    0.645   1.198     3.527   72.857   66.131

# 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):     9.005          8.870                  9.257           74.457   68.805

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    111    1.59    80.800    73.263     6.585

LGA_LOCAL      RMSD:   1.586  Number of atoms:  111  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   9.646  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   9.005  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.346478 * X  +   0.936462 * Y  +   0.054696 * Z  + -22.213188
  Y_new =   0.902955 * X  +  -0.348747 * Y  +   0.251094 * Z  + -31.268755
  Z_new =   0.254215 * X  +  -0.037610 * Y  +  -0.966416 * Z  + 130.640427 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.204406 -0.257036 -3.102695   [DEG:   69.0074  -14.7271 -177.7713 ]
ZXZ:  2.927112  2.881694  1.717678   [DEG:  167.7112  165.1089   98.4157 ]
 
# END of job
