
#######################################################
#                                                     #
#                        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       4.60     9.27
  LCS_AVERAGE:     94.19

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62      68_A - 129_A       1.93     9.53
  LCS_AVERAGE:     42.78

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    48      15_A - 62_A        0.95     9.76
  LCS_AVERAGE:     32.10

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    6    9   10   10   11   13   13   14   17   18   18   20   21   22   25   26   28   29 
LCS_GDT     K     6_A     K     6_A      6    9   19      3    4    6    9   10   10   11   13   13   14   17   18   18   20   21   23   25   26   28   29 
LCS_GDT     C     7_A     C     7_A      7    9   19      4    7    7    9   10   10   11   13   13   14   17   18   18   20   21   23   25   26   28   31 
LCS_GDT     T     8_A     T     8_A      7    9   19      3    7    7    9   10   10   11   13   13   14   17   18   18   20   21   23   25   27   31   33 
LCS_GDT     F     9_A     F     9_A      7    9  121      4    7    7    9   10   10   11   13   13   14   17   18   18   20   21   25   26   30   31   35 
LCS_GDT     S    10_A     S    10_A      7    9  121      4    7    7    9   10   10   11   13   13   14   17   19   29   31   41   51   53   58   65   72 
LCS_GDT     A    11_A     A    11_A      7    9  121      4    7    7    9   10   10   11   13   13   17   33   41   45   50   54   67   78   89  101  106 
LCS_GDT     P    12_A     P    12_A      7    9  121      3    7    7    9   10   13   22   28   46   59   78   93  109  114  116  117  117  118  118  118 
LCS_GDT     S    13_A     S    13_A      7   52  121      4    7    7    9   10   11   26   37   56   73   97  112  114  114  116  117  117  118  118  118 
LCS_GDT     H    14_A     H    14_A      4   52  121      4    4    5    8   25   58   76  105  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     S    15_A     S    15_A     48   52  121      4   16   46   86  105  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     T    16_A     T    16_A     48   52  121     18   64   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     S    17_A     S    17_A     48   52  121      9   65   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     L    18_A     L    18_A     48   52  121     16   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     L    19_A     L    19_A     48   52  121     24   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     Q    20_A     Q    20_A     48   52  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     G    21_A     G    21_A     48   52  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     L    22_A     L    22_A     48   52  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     A    23_A     A    23_A     48   52  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     T    24_A     T    24_A     48   52  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     L    25_A     L    25_A     48   52  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     R    26_A     R    26_A     48   52  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     A    27_A     A    27_A     48   52  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     Q    28_A     Q    28_A     48   52  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     G    29_A     G    29_A     48   52  121     27   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     Q    30_A     Q    30_A     48   52  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     L    31_A     L    31_A     48   52  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     L    32_A     L    32_A     48   52  121     30   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     D    33_A     D    33_A     48   52  121     31   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     V    34_A     V    34_A     48   52  121     18   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     V    35_A     V    35_A     48   52  121     18   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     L    36_A     L    36_A     48   52  121     26   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     T    37_A     T    37_A     48   52  121     26   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     I    38_A     I    38_A     48   52  121     20   35   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     N    39_A     N    39_A     48   52  121      3   12   65  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     R    40_A     R    40_A     48   52  121      3    4    7   95  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     E    41_A     E    41_A     48   52  121     18   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     A    42_A     A    42_A     48   52  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     F    43_A     F    43_A     48   52  121     14   65   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     P    44_A     P    44_A     48   52  121     14   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     A    45_A     A    45_A     48   52  121     31   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     H    46_A     H    46_A     48   52  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     K    47_A     K    47_A     48   52  121     26   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     V    48_A     V    48_A     48   52  121     24   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     V    49_A     V    49_A     48   52  121     24   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     L    50_A     L    50_A     48   52  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     A    51_A     A    51_A     48   52  121     24   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     A    52_A     A    52_A     48   52  121     13   61   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     C    53_A     C    53_A     48   52  121     13   43   86  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     S    54_A     S    54_A     48   52  121     29   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     D    55_A     D    55_A     48   52  121     29   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     Y    56_A     Y    56_A     48   52  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     F    57_A     F    57_A     48   52  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     R    58_A     R    58_A     48   52  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     A    59_A     A    59_A     48   52  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     M    60_A     M    60_A     48   52  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     F    61_A     F    61_A     48   52  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     T    62_A     T    62_A     48   52  121     27   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     G    63_A     G    63_A     23   52  121      3    5   46   73  102  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     G    64_A     G    64_A      4   52  121      3    7   21   48   73  101  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     M    65_A     M    65_A      5   51  121      3    4    6    8   13   23   39   51   80  105  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     R    66_A     R    66_A      5    7  121      3    4    6    6    9   17   22   31   39   64   85  110  113  114  116  117  117  118  118  118 
LCS_GDT     E    67_A     E    67_A      5    6  121      3    4    5    5    6    9   13   14   16   35   38   41   50   84   96  108  115  118  118  118 
LCS_GDT     A    68_A     A    68_A      5   62  121      3    4    5    8   10   13   18   22   27   36   70  108  113  114  116  117  117  118  118  118 
LCS_GDT     S    69_A     S    69_A      5   62  121      3    4    5   33   56   82  104  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     Q    70_A     Q    70_A      5   62  121      3    3    5   30   62   87  107  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     D    71_A     D    71_A     29   62  121     18   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     V    72_A     V    72_A     29   62  121     17   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     I    73_A     I    73_A     29   62  121     15   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     E    74_A     E    74_A     38   62  121      4    4   60  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     L    75_A     L    75_A     40   62  121     29   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     K    76_A     K    76_A     40   62  121      3   22   68   96  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     G    77_A     G    77_A     46   62  121     28   68   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     V    78_A     V    78_A     46   62  121     13   62   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     S    79_A     S    79_A     46   62  121     14   62   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     A    80_A     A    80_A     46   62  121     29   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     R    81_A     R    81_A     46   62  121     29   69   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     G    82_A     G    82_A     46   62  121     29   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     L    83_A     L    83_A     46   62  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     R    84_A     R    84_A     46   62  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     H    85_A     H    85_A     46   62  121     30   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     I    86_A     I    86_A     46   62  121     29   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     I    87_A     I    87_A     46   62  121     30   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     D    88_A     D    88_A     46   62  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     F    89_A     F    89_A     46   62  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     A    90_A     A    90_A     46   62  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     Y    91_A     Y    91_A     46   62  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     S    92_A     S    92_A     46   62  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     A    93_A     A    93_A     46   62  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     E    94_A     E    94_A     46   62  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     V    95_A     V    95_A     46   62  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     T    96_A     T    96_A     46   62  121     17   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     L    97_A     L    97_A     46   62  121      4   58   86  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     D    98_A     D    98_A     46   62  121     18   64   87  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     L    99_A     L    99_A     46   62  121      8   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     D   100_A     D   100_A     46   62  121      7   47   87  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     C   101_A     C   101_A     46   62  121     21   67   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     V   102_A     V   102_A     46   62  121     21   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     Q   103_A     Q   103_A     46   62  121     21   69   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     D   104_A     D   104_A     46   62  121     21   69   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     V   105_A     V   105_A     46   62  121     26   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     L   106_A     L   106_A     46   62  121     26   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     G   107_A     G   107_A     46   62  121     26   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     A   108_A     A   108_A     46   62  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     A   109_A     A   109_A     46   62  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     V   110_A     V   110_A     46   62  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     F   111_A     F   111_A     46   62  121     32   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     L   112_A     L   112_A     46   62  121     20   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     Q   113_A     Q   113_A     46   62  121     20   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     M   114_A     M   114_A     46   62  121      9   40   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     L   115_A     L   115_A     46   62  121      7   39   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     P   116_A     P   116_A     46   62  121     20   59   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     V   117_A     V   117_A     46   62  121     20   65   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     V   118_A     V   118_A     46   62  121     20   71   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     E   119_A     E   119_A     46   62  121     20   59   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     L   120_A     L   120_A     46   62  121     20   55   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     C   121_A     C   121_A     46   62  121     20   69   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     E   122_A     E   122_A     46   62  121     20   61   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     E   123_A     E   123_A     45   62  121     20   47   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     F   124_A     F   124_A     45   62  121     20   50   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     L   125_A     L   125_A     44   62  121     12   51   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     K   126_A     K   126_A     34   62  121     20   50   90  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     A   127_A     A   127_A     34   62  121      7   33   71  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     A   128_A     A   128_A     34   62  121     10   28   67  100  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_GDT     M   129_A     M   129_A     34   62  121      7   28   71  101  106  108  109  111  111  112  113  113  114  114  116  117  117  118  118  118 
LCS_AVERAGE  LCS_A:  56.36  (  32.10   42.78   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     71     90    101    106    108    109    111    111    112    113    113    114    114    116    117    117    118    118    118 
GDT PERCENT_AT  25.60  56.80  72.00  80.80  84.80  86.40  87.20  88.80  88.80  89.60  90.40  90.40  91.20  91.20  92.80  93.60  93.60  94.40  94.40  94.40
GDT RMS_LOCAL    0.35   0.65   0.85   1.02   1.17   1.24   1.36   1.61   1.61   1.68   1.90   1.90   2.04   2.04   2.40   2.59   2.59   2.80   2.80   2.80
GDT RMS_ALL_AT   9.79   9.76   9.75   9.69   9.65   9.65   9.64   9.61   9.61   9.61   9.59   9.59   9.58   9.58   9.56   9.52   9.52   9.51   9.51   9.51

# Checking swapping
#   possible swapping detected:  F     9_A      F     9_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  Y    56_A      Y    56_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  D    71_A      D    71_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  D    98_A      D    98_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
#   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    55.897     0    0.300   1.088    58.476    0.000    0.000
LGA    K     6_A      K     6_A    49.918     0    0.074   1.191    53.843    0.000    0.000
LGA    C     7_A      C     7_A    43.343     0    0.066   0.718    45.646    0.000    0.000
LGA    T     8_A      T     8_A    36.194     0    0.104   1.124    38.669    0.000    0.000
LGA    F     9_A      F     9_A    30.416     0    0.106   1.308    32.459    0.000    0.000
LGA    S    10_A      S    10_A    23.182     0    0.034   0.091    25.704    0.000    0.000
LGA    A    11_A      A    11_A    17.820     0    0.106   0.122    19.442    0.000    0.000
LGA    P    12_A      P    12_A    10.949     0    0.695   0.631    14.911    1.071    0.612
LGA    S    13_A      S    13_A     8.326     0    0.705   0.939    13.025   10.595    7.063
LGA    H    14_A      H    14_A     5.730     0    0.041   0.178     6.697   32.024   29.048
LGA    S    15_A      S    15_A     2.751     0    0.208   0.613     5.139   61.548   51.587
LGA    T    16_A      T    16_A     1.365     0    0.050   0.072     1.772   79.286   80.204
LGA    S    17_A      S    17_A     1.652     0    0.100   0.647     4.584   77.143   67.460
LGA    L    18_A      L    18_A     1.520     0    0.031   0.996     2.224   77.143   77.262
LGA    L    19_A      L    19_A     1.328     0    0.034   0.126     1.376   81.429   81.429
LGA    Q    20_A      Q    20_A     1.262     0    0.040   1.214     4.981   81.429   69.683
LGA    G    21_A      G    21_A     1.160     0    0.043   0.043     1.249   81.429   81.429
LGA    L    22_A      L    22_A     1.244     0    0.039   0.984     4.036   81.429   74.821
LGA    A    23_A      A    23_A     1.312     0    0.045   0.051     1.395   81.429   81.429
LGA    T    24_A      T    24_A     1.446     0    0.079   1.107     4.001   81.429   75.170
LGA    L    25_A      L    25_A     1.376     0    0.042   0.702     3.323   81.429   76.488
LGA    R    26_A      R    26_A     0.948     0    0.027   1.131     4.958   83.690   78.139
LGA    A    27_A      A    27_A     1.416     0    0.072   0.070     1.926   77.143   76.286
LGA    Q    28_A      Q    28_A     1.757     0    0.192   1.195     3.519   72.857   67.090
LGA    G    29_A      G    29_A     1.604     0    0.077   0.077     1.663   72.857   72.857
LGA    Q    30_A      Q    30_A     1.407     0    0.321   0.385     3.701   69.762   76.349
LGA    L    31_A      L    31_A     1.011     0    0.524   0.560     2.737   88.333   78.631
LGA    L    32_A      L    32_A     1.348     0    0.062   1.348     4.885   77.143   64.107
LGA    D    33_A      D    33_A     1.137     0    0.058   0.081     1.139   83.690   85.952
LGA    V    34_A      V    34_A     0.997     0    0.033   0.993     3.153   90.476   82.177
LGA    V    35_A      V    35_A     1.038     0    0.017   0.062     2.078   85.952   79.184
LGA    L    36_A      L    36_A     0.236     0    0.112   1.010     2.938  100.000   88.869
LGA    T    37_A      T    37_A     0.533     0    0.238   0.291     0.765   95.238   93.197
LGA    I    38_A      I    38_A     1.478     0    0.011   1.329     3.789   79.286   73.452
LGA    N    39_A      N    39_A     1.944     0    0.617   0.983     2.764   68.929   68.988
LGA    R    40_A      R    40_A     2.762     0    0.248   0.927     8.132   67.143   36.104
LGA    E    41_A      E    41_A     0.729     0    0.106   0.852     2.381   92.976   87.778
LGA    A    42_A      A    42_A     0.540     0    0.064   0.064     1.109   92.857   90.571
LGA    F    43_A      F    43_A     0.991     0    0.150   0.168     2.380   90.476   78.615
LGA    P    44_A      P    44_A     0.929     0    0.053   0.346     2.279   88.214   81.701
LGA    A    45_A      A    45_A     0.557     0    0.032   0.073     0.844   90.476   92.381
LGA    H    46_A      H    46_A     0.460     0    0.108   0.095     0.835   97.619   93.333
LGA    K    47_A      K    47_A     0.527     0    0.031   0.949     6.398   95.238   66.561
LGA    V    48_A      V    48_A     0.709     0    0.075   1.020     2.521   90.476   83.129
LGA    V    49_A      V    49_A     0.578     0    0.031   0.097     0.765   90.476   90.476
LGA    L    50_A      L    50_A     0.356     0    0.021   0.078     1.262   97.619   92.976
LGA    A    51_A      A    51_A     0.709     0    0.070   0.065     1.386   88.333   88.762
LGA    A    52_A      A    52_A     1.231     0    0.154   0.158     1.617   81.548   79.810
LGA    C    53_A      C    53_A     1.581     0    0.202   0.755     2.088   81.548   78.730
LGA    S    54_A      S    54_A     0.902     0    0.078   0.485     1.385   88.214   87.460
LGA    D    55_A      D    55_A     0.873     0    0.041   1.200     5.403   90.476   71.488
LGA    Y    56_A      Y    56_A     0.335     0    0.050   0.332     2.996   97.619   82.897
LGA    F    57_A      F    57_A     0.273     0    0.035   0.251     0.794  100.000   95.671
LGA    R    58_A      R    58_A     0.262     0    0.037   1.466     4.982  100.000   69.957
LGA    A    59_A      A    59_A     0.439     0    0.045   0.044     0.505  100.000   98.095
LGA    M    60_A      M    60_A     0.380     0    0.030   0.952     2.370  100.000   87.798
LGA    F    61_A      F    61_A     0.551     0    0.051   0.310     1.344   92.857   88.052
LGA    T    62_A      T    62_A     1.265     0    0.223   0.236     3.983   81.548   67.143
LGA    G    63_A      G    63_A     3.355     0    0.316   0.316     3.355   63.214   63.214
LGA    G    64_A      G    64_A     5.492     0    0.203   0.203     8.927   17.619   17.619
LGA    M    65_A      M    65_A     9.510     0    0.200   1.012    16.664    5.952    2.976
LGA    R    66_A      R    66_A    10.900     0    0.140   1.216    14.493    0.000    0.000
LGA    E    67_A      E    67_A    12.520     0    0.091   1.150    20.441    0.000    0.000
LGA    A    68_A      A    68_A     9.745     0    0.088   0.086    10.011    2.024    1.714
LGA    S    69_A      S    69_A     6.527     0    0.213   0.191    10.680   14.405   10.079
LGA    Q    70_A      Q    70_A     5.968     0    0.662   0.894     9.863   31.310   16.402
LGA    D    71_A      D    71_A     1.550     0    0.607   1.300     6.169   72.857   49.167
LGA    V    72_A      V    72_A     1.286     0    0.045   1.089     3.075   79.286   72.245
LGA    I    73_A      I    73_A     1.207     0    0.059   1.299     4.018   77.143   68.631
LGA    E    74_A      E    74_A     2.237     0    0.169   1.254     9.839   79.643   42.540
LGA    L    75_A      L    75_A     0.955     0    0.282   0.356     3.680   83.810   68.988
LGA    K    76_A      K    76_A     2.610     0    0.629   0.971     5.478   49.524   42.646
LGA    G    77_A      G    77_A     1.315     0    0.110   0.110     1.908   77.143   77.143
LGA    V    78_A      V    78_A     1.628     0    0.034   0.080     2.254   79.286   74.218
LGA    S    79_A      S    79_A     1.604     0    0.097   0.749     2.203   77.143   73.016
LGA    A    80_A      A    80_A     0.856     0    0.048   0.072     1.198   88.214   86.857
LGA    R    81_A      R    81_A     1.148     0    0.032   1.371     8.325   83.690   53.939
LGA    G    82_A      G    82_A     0.970     0    0.028   0.028     1.026   88.214   88.214
LGA    L    83_A      L    83_A     0.418     0    0.027   0.127     0.953   97.619   97.619
LGA    R    84_A      R    84_A     0.489     0    0.046   0.925     5.518  100.000   67.576
LGA    H    85_A      H    85_A     0.824     0    0.044   0.252     1.891   90.476   84.238
LGA    I    86_A      I    86_A     0.738     0    0.038   0.119     0.923   90.476   90.476
LGA    I    87_A      I    87_A     0.430     0    0.031   0.596     1.456   97.619   92.976
LGA    D    88_A      D    88_A     0.379     0    0.033   0.846     3.289  100.000   82.798
LGA    F    89_A      F    89_A     0.374     0    0.036   0.096     0.736  100.000   94.805
LGA    A    90_A      A    90_A     0.330     0    0.043   0.042     0.360  100.000  100.000
LGA    Y    91_A      Y    91_A     0.642     0    0.176   0.170     1.035   88.214   89.722
LGA    S    92_A      S    92_A     0.942     0    0.015   0.049     1.022   85.952   87.460
LGA    A    93_A      A    93_A     1.050     0    0.060   0.058     1.241   81.429   81.429
LGA    E    94_A      E    94_A     0.920     0    0.053   0.161     1.068   88.214   88.466
LGA    V    95_A      V    95_A     0.874     0    0.010   0.114     0.980   90.476   90.476
LGA    T    96_A      T    96_A     0.803     0    0.086   0.962     2.654   85.952   80.612
LGA    L    97_A      L    97_A     1.943     0    0.052   0.937     2.721   77.143   75.536
LGA    D    98_A      D    98_A     1.863     0    0.032   1.055     2.739   79.405   72.143
LGA    L    99_A      L    99_A     1.631     0    0.088   0.185     4.035   75.119   64.702
LGA    D   100_A      D   100_A     1.618     0    0.024   0.980     4.725   75.238   60.000
LGA    C   101_A      C   101_A     0.866     0    0.050   0.682     2.100   90.476   86.190
LGA    V   102_A      V   102_A     0.851     0    0.027   1.219     2.681   90.476   82.041
LGA    Q   103_A      Q   103_A     1.090     0    0.035   1.159     2.720   83.690   77.831
LGA    D   104_A      D   104_A     1.026     0    0.026   0.083     1.684   85.952   83.750
LGA    V   105_A      V   105_A     0.474     0    0.039   1.135     2.964   97.619   87.483
LGA    L   106_A      L   106_A     0.590     0    0.046   1.187     2.457   92.857   84.107
LGA    G   107_A      G   107_A     0.751     0    0.022   0.022     0.818   90.476   90.476
LGA    A   108_A      A   108_A     0.553     0    0.049   0.049     0.680   95.238   94.286
LGA    A   109_A      A   109_A     0.463     0    0.016   0.030     0.514  100.000   98.095
LGA    V   110_A      V   110_A     0.649     0    0.045   0.130     1.068   90.476   89.184
LGA    F   111_A      F   111_A     0.716     0    0.061   0.423     1.918   90.476   82.424
LGA    L   112_A      L   112_A     1.284     0    0.120   0.148     2.241   81.548   76.190
LGA    Q   113_A      Q   113_A     1.292     0    0.072   0.112     1.672   81.429   80.476
LGA    M   114_A      M   114_A     1.767     0    0.092   1.014     3.638   75.000   69.226
LGA    L   115_A      L   115_A     1.795     0    0.026   1.007     4.134   75.000   67.560
LGA    P   116_A      P   116_A     1.288     0    0.085   0.166     1.874   81.429   78.980
LGA    V   117_A      V   117_A     1.216     0    0.031   0.096     1.316   83.690   82.721
LGA    V   118_A      V   118_A     0.699     0    0.041   1.008     2.608   88.214   80.748
LGA    E   119_A      E   119_A     1.110     0    0.043   0.781     3.212   83.690   70.053
LGA    L   120_A      L   120_A     1.246     0    0.062   0.977     4.483   81.429   68.929
LGA    C   121_A      C   121_A     0.827     0    0.044   0.052     0.997   90.476   90.476
LGA    E   122_A      E   122_A     0.801     0    0.041   1.165     4.130   85.952   69.947
LGA    E   123_A      E   123_A     1.578     0    0.021   0.813     3.269   75.000   66.878
LGA    F   124_A      F   124_A     1.433     0    0.035   1.266     5.875   81.429   61.299
LGA    L   125_A      L   125_A     1.216     0    0.027   0.291     1.415   81.429   81.429
LGA    K   126_A      K   126_A     1.447     0    0.050   1.686     7.498   75.119   56.772
LGA    A   127_A      A   127_A     2.175     0    0.027   0.039     2.564   64.881   64.857
LGA    A   128_A      A   128_A     2.567     0    0.103   0.101     2.810   62.857   61.714
LGA    M   129_A      M   129_A     2.369     0    0.618   1.199     7.946   59.167   45.536

# 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):     8.973          8.845                  9.381           73.913   67.750

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    111    1.61    80.000    73.052     6.509

LGA_LOCAL      RMSD:   1.605  Number of atoms:  111  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   9.614  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   8.973  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.346628 * X  +   0.936016 * Y  +   0.061011 * Z  + -23.234278
  Y_new =   0.902508 * X  +  -0.350528 * Y  +   0.250219 * Z  + -31.053547
  Z_new =   0.255595 * X  +  -0.031670 * Y  +  -0.966265 * Z  + 130.595169 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.204096 -0.258463 -3.108829   [DEG:   68.9896  -14.8089 -178.1228 ]
ZXZ:  2.902430  2.881107  1.694076   [DEG:  166.2970  165.0753   97.0634 ]
 
# END of job
