
#######################################################
#                                                     #
#                        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       4.57     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       1.95     9.55
  LCS_AVERAGE:     42.77

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    48      15_A - 62_A        0.85     9.75
  LCS_AVERAGE:     31.80

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   19      3    4    5    8    8   10   11   11   13   14   15   17   19   19   20   22   22   23   24   27 
LCS_GDT     K     6_A     K     6_A      6    9   19      3    4    6    9    9   10   11   12   13   14   16   17   19   19   21   23   26   26   26   27 
LCS_GDT     C     7_A     C     7_A      7    9   19      3    7    7    9    9   10   11   13   13   14   16   17   19   19   21   23   26   26   26   28 
LCS_GDT     T     8_A     T     8_A      7    9   19      3    7    7    9    9   10   11   13   13   14   16   17   19   19   21   23   26   26   30   33 
LCS_GDT     F     9_A     F     9_A      7    9  121      3    7    7    9    9   10   11   13   13   14   16   17   19   21   24   25   26   28   33   46 
LCS_GDT     S    10_A     S    10_A      7    9  121      3    7    7    9    9   10   11   13   13   14   16   25   29   31   48   50   55   59   66   74 
LCS_GDT     A    11_A     A    11_A      7    9  121      3    7    7    9    9   10   11   13   13   16   21   32   36   50   54   63   78   88   99  108 
LCS_GDT     P    12_A     P    12_A      7    9  121      3    7    7    9   11   16   22   30   46   58   79   95  110  114  115  117  117  117  118  118 
LCS_GDT     S    13_A     S    13_A      7   52  121      3    7    7    9    9   10   11   25   39   63   77  109  113  114  116  117  117  117  118  118 
LCS_GDT     H    14_A     H    14_A      4   52  121      3    4    4    4   13   66  101  108  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     S    15_A     S    15_A     48   52  121     27   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     T    16_A     T    16_A     48   52  121     27   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     S    17_A     S    17_A     48   52  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     L    18_A     L    18_A     48   52  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     L    19_A     L    19_A     48   52  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     Q    20_A     Q    20_A     48   52  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     G    21_A     G    21_A     48   52  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     L    22_A     L    22_A     48   52  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     A    23_A     A    23_A     48   52  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     T    24_A     T    24_A     48   52  121     29   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     L    25_A     L    25_A     48   52  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     R    26_A     R    26_A     48   52  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     A    27_A     A    27_A     48   52  121     28   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     Q    28_A     Q    28_A     48   52  121     27   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     G    29_A     G    29_A     48   52  121     28   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     Q    30_A     Q    30_A     48   52  121     10   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     L    31_A     L    31_A     48   52  121     29   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     L    32_A     L    32_A     48   52  121     27   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     D    33_A     D    33_A     48   52  121     28   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     V    34_A     V    34_A     48   52  121     24   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     V    35_A     V    35_A     48   52  121     26   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     L    36_A     L    36_A     48   52  121     27   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     T    37_A     T    37_A     48   52  121     23   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     I    38_A     I    38_A     48   52  121      5   45   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     N    39_A     N    39_A     48   52  121      4    9   59  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     R    40_A     R    40_A     48   52  121      3    7   62  100  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     E    41_A     E    41_A     48   52  121     18   67   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     A    42_A     A    42_A     48   52  121     29   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     F    43_A     F    43_A     48   52  121     12   63   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     P    44_A     P    44_A     48   52  121     12   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     A    45_A     A    45_A     48   52  121     27   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     H    46_A     H    46_A     48   52  121     29   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     K    47_A     K    47_A     48   52  121     26   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     V    48_A     V    48_A     48   52  121     15   65   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     V    49_A     V    49_A     48   52  121     14   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     L    50_A     L    50_A     48   52  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     A    51_A     A    51_A     48   52  121     24   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     A    52_A     A    52_A     48   52  121     16   62   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     C    53_A     C    53_A     48   52  121     14   61   88  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     S    54_A     S    54_A     48   52  121     24   67   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     D    55_A     D    55_A     48   52  121     27   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     Y    56_A     Y    56_A     48   52  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     F    57_A     F    57_A     48   52  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     R    58_A     R    58_A     48   52  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     A    59_A     A    59_A     48   52  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     M    60_A     M    60_A     48   52  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     F    61_A     F    61_A     48   52  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     T    62_A     T    62_A     48   52  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     G    63_A     G    63_A     23   52  121      3    8   47   67  104  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     G    64_A     G    64_A      4   52  121      3    6   19   43   71   95  107  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     M    65_A     M    65_A      5   51  121      3    4    6   10   16   25   44   46   84  106  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     R    66_A     R    66_A      5    6  121      4    4    6    6    8   15   23   31   36   46   74  110  113  114  116  117  117  117  118  118 
LCS_GDT     E    67_A     E    67_A      5    6  121      4    4    5    5    7    8   11   16   20   25   31   45   54   76   92  112  114  116  118  118 
LCS_GDT     A    68_A     A    68_A      5   62  121      4    4    5    7    9   12   17   18   25   37   62   97  113  114  116  117  117  117  118  118 
LCS_GDT     S    69_A     S    69_A      5   62  121      4    4   10   19   47   73   99  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     Q    70_A     Q    70_A      5   62  121      3    4    5    7   61   84  107  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     D    71_A     D    71_A     29   62  121     24   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     V    72_A     V    72_A     29   62  121     17   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     I    73_A     I    73_A     29   62  121     24   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     E    74_A     E    74_A     29   62  121      4    4   72  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     L    75_A     L    75_A     40   62  121     24   67   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     K    76_A     K    76_A     40   62  121      5   17   78  100  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     G    77_A     G    77_A     43   62  121     19   62   89  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     V    78_A     V    78_A     44   62  121     14   62   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     S    79_A     S    79_A     44   62  121     14   62   88  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     A    80_A     A    80_A     45   62  121     21   67   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     R    81_A     R    81_A     45   62  121     24   67   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     G    82_A     G    82_A     45   62  121     27   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     L    83_A     L    83_A     45   62  121     28   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     R    84_A     R    84_A     45   62  121     28   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     H    85_A     H    85_A     45   62  121     27   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     I    86_A     I    86_A     45   62  121     27   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     I    87_A     I    87_A     45   62  121     27   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     D    88_A     D    88_A     45   62  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     F    89_A     F    89_A     45   62  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     A    90_A     A    90_A     45   62  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     Y    91_A     Y    91_A     45   62  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     S    92_A     S    92_A     45   62  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     A    93_A     A    93_A     45   62  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     E    94_A     E    94_A     45   62  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     V    95_A     V    95_A     45   62  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     T    96_A     T    96_A     45   62  121     13   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     L    97_A     L    97_A     45   62  121      3   57   86  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     D    98_A     D    98_A     45   62  121      6   57   86  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     L    99_A     L    99_A     45   62  121      8   67   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     D   100_A     D   100_A     45   62  121     17   60   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     C   101_A     C   101_A     45   62  121     17   60   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     V   102_A     V   102_A     45   62  121     28   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     Q   103_A     Q   103_A     45   62  121     26   67   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     D   104_A     D   104_A     45   62  121     28   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     V   105_A     V   105_A     45   62  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     L   106_A     L   106_A     45   62  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     G   107_A     G   107_A     45   62  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     A   108_A     A   108_A     45   62  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     A   109_A     A   109_A     45   62  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     V   110_A     V   110_A     45   62  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     F   111_A     F   111_A     45   62  121     30   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     L   112_A     L   112_A     45   62  121     13   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     Q   113_A     Q   113_A     45   62  121     13   66   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     M   114_A     M   114_A     45   62  121     10   39   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     L   115_A     L   115_A     45   62  121     13   41   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     P   116_A     P   116_A     45   62  121     17   57   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     V   117_A     V   117_A     45   62  121     17   62   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     V   118_A     V   118_A     45   62  121     18   68   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     E   119_A     E   119_A     45   62  121     17   57   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     L   120_A     L   120_A     45   62  121     17   54   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     C   121_A     C   121_A     45   62  121     17   59   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     E   122_A     E   122_A     45   62  121     17   55   90  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     E   123_A     E   123_A     45   62  121     17   39   88  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     F   124_A     F   124_A     45   62  121     17   48   88  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     L   125_A     L   125_A     45   62  121     17   50   88  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     K   126_A     K   126_A     37   62  121      4   30   88  103  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     A   127_A     A   127_A     37   62  121      6   48   88  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     A   128_A     A   128_A     37   62  121      4   50   88  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_GDT     M   129_A     M   129_A     37   62  121      4   45   88  104  107  108  108  111  112  112  112  113  113  114  116  117  117  117  118  118 
LCS_AVERAGE  LCS_A:  56.25  (  31.80   42.77   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     30     68     90    104    107    108    108    111    112    112    112    113    113    114    116    117    117    117    118    118 
GDT PERCENT_AT  24.00  54.40  72.00  83.20  85.60  86.40  86.40  88.80  89.60  89.60  89.60  90.40  90.40  91.20  92.80  93.60  93.60  93.60  94.40  94.40
GDT RMS_LOCAL    0.33   0.64   0.87   1.08   1.14   1.19   1.19   1.59   1.67   1.67   1.67   1.88   1.88   2.07   2.40   2.58   2.58   2.58   2.79   2.79
GDT RMS_ALL_AT   9.79   9.72   9.72   9.64   9.64   9.65   9.65   9.61   9.60   9.60   9.60   9.58   9.58   9.59   9.56   9.52   9.52   9.52   9.51   9.51

# Checking swapping
#   possible swapping detected:  F     9_A      F     9_A
#   possible swapping detected:  E    67_A      E    67_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
#   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    56.292     0    0.313   1.409    58.754    0.000    0.000
LGA    K     6_A      K     6_A    49.886     0    0.077   0.917    52.047    0.000    0.000
LGA    C     7_A      C     7_A    43.184     0    0.070   0.735    45.493    0.000    0.000
LGA    T     8_A      T     8_A    36.010     0    0.109   1.117    38.493    0.000    0.000
LGA    F     9_A      F     9_A    30.188     0    0.108   1.352    32.229    0.000    0.000
LGA    S    10_A      S    10_A    22.958     0    0.031   0.635    25.488    0.000    0.000
LGA    A    11_A      A    11_A    17.687     0    0.145   0.167    19.250    0.000    0.000
LGA    P    12_A      P    12_A    10.732     0    0.691   0.628    14.713    1.071    0.612
LGA    S    13_A      S    13_A     8.401     0    0.724   0.851    11.675   10.595    7.063
LGA    H    14_A      H    14_A     5.506     0    0.075   1.210    10.493   32.024   17.000
LGA    S    15_A      S    15_A     0.909     0    0.580   0.694     4.520   84.048   69.603
LGA    T    16_A      T    16_A     1.145     0    0.066   0.126     1.629   81.429   80.204
LGA    S    17_A      S    17_A     1.093     0    0.046   0.653     3.124   81.429   76.190
LGA    L    18_A      L    18_A     0.853     0    0.035   1.301     3.067   88.214   80.119
LGA    L    19_A      L    19_A     1.261     0    0.060   0.920     3.199   81.429   72.381
LGA    Q    20_A      Q    20_A     1.248     0    0.042   0.911     3.960   81.429   74.497
LGA    G    21_A      G    21_A     1.114     0    0.023   0.023     1.185   81.429   81.429
LGA    L    22_A      L    22_A     1.264     0    0.046   0.855     2.873   81.429   76.250
LGA    A    23_A      A    23_A     1.381     0    0.048   0.056     1.500   81.429   81.429
LGA    T    24_A      T    24_A     1.561     0    0.073   1.108     4.107   75.000   71.497
LGA    L    25_A      L    25_A     1.498     0    0.044   0.658     3.499   79.286   74.405
LGA    R    26_A      R    26_A     1.033     0    0.023   1.254     5.835   81.429   75.108
LGA    A    27_A      A    27_A     1.508     0    0.069   0.069     2.000   72.976   72.952
LGA    Q    28_A      Q    28_A     1.890     0    0.184   1.324     3.190   72.857   69.471
LGA    G    29_A      G    29_A     1.626     0    0.095   0.095     1.728   72.857   72.857
LGA    Q    30_A      Q    30_A     1.840     0    0.351   0.813     3.975   63.452   65.132
LGA    L    31_A      L    31_A     1.168     0    0.459   0.457     3.105   85.952   74.524
LGA    L    32_A      L    32_A     1.407     0    0.064   0.774     3.060   79.286   75.357
LGA    D    33_A      D    33_A     1.262     0    0.073   0.302     1.874   81.429   80.357
LGA    V    34_A      V    34_A     1.021     0    0.033   0.985     2.969   88.214   81.905
LGA    V    35_A      V    35_A     0.906     0    0.029   0.064     1.680   88.214   84.082
LGA    L    36_A      L    36_A     0.170     0    0.103   1.065     2.925  100.000   88.869
LGA    T    37_A      T    37_A     0.453     0    0.231   0.273     1.003   95.357   97.347
LGA    I    38_A      I    38_A     1.434     0    0.037   1.336     3.715   77.143   72.381
LGA    N    39_A      N    39_A     2.113     0    0.631   0.839     3.221   66.905   60.238
LGA    R    40_A      R    40_A     2.606     0    0.206   1.470     4.942   67.143   57.922
LGA    E    41_A      E    41_A     0.888     0    0.101   0.697     3.266   92.976   78.519
LGA    A    42_A      A    42_A     0.385     0    0.067   0.064     0.963   95.238   94.286
LGA    F    43_A      F    43_A     1.036     0    0.151   0.190     2.639   88.214   76.320
LGA    P    44_A      P    44_A     0.945     0    0.043   0.138     1.744   88.214   82.857
LGA    A    45_A      A    45_A     0.578     0    0.034   0.061     0.834   90.476   92.381
LGA    H    46_A      H    46_A     0.472     0    0.097   0.102     0.648   97.619   93.333
LGA    K    47_A      K    47_A     0.561     0    0.038   0.780     6.608   95.238   66.138
LGA    V    48_A      V    48_A     0.814     0    0.079   1.000     2.587   90.476   83.129
LGA    V    49_A      V    49_A     0.748     0    0.027   0.086     0.992   90.476   90.476
LGA    L    50_A      L    50_A     0.450     0    0.026   0.082     1.466   97.619   90.655
LGA    A    51_A      A    51_A     0.675     0    0.074   0.071     1.345   90.595   90.571
LGA    A    52_A      A    52_A     1.209     0    0.160   0.166     1.684   81.548   79.810
LGA    C    53_A      C    53_A     1.554     0    0.197   0.743     2.149   81.548   78.730
LGA    S    54_A      S    54_A     0.964     0    0.058   0.106     1.140   88.214   88.968
LGA    D    55_A      D    55_A     0.835     0    0.043   1.176     5.454   92.857   71.845
LGA    Y    56_A      Y    56_A     0.385     0    0.048   0.882     7.343   97.619   61.944
LGA    F    57_A      F    57_A     0.398     0    0.044   0.172     0.589   97.619   97.403
LGA    R    58_A      R    58_A     0.438     0    0.027   1.137     5.641  100.000   75.238
LGA    A    59_A      A    59_A     0.423     0    0.042   0.045     0.439  100.000  100.000
LGA    M    60_A      M    60_A     0.515     0    0.022   1.064     2.669   92.857   84.524
LGA    F    61_A      F    61_A     0.563     0    0.082   0.322     1.045   88.214   89.654
LGA    T    62_A      T    62_A     1.095     0    0.343   0.310     2.406   79.524   74.354
LGA    G    63_A      G    63_A     3.274     0    0.503   0.503     3.274   59.167   59.167
LGA    G    64_A      G    64_A     5.679     0    0.134   0.134     9.024   15.357   15.357
LGA    M    65_A      M    65_A     9.538     0    0.243   1.027    11.505    5.119    2.560
LGA    R    66_A      R    66_A    11.007     0    0.129   1.291    14.281    0.000    0.000
LGA    E    67_A      E    67_A    12.641     0    0.087   1.235    19.929    0.000    0.000
LGA    A    68_A      A    68_A     9.696     0    0.095   0.090     9.991    2.143    1.810
LGA    S    69_A      S    69_A     7.049     0    0.556   0.530    10.759   18.214   12.381
LGA    Q    70_A      Q    70_A     6.038     0    0.046   1.187    11.529   30.952   14.868
LGA    D    71_A      D    71_A     1.363     0    0.705   1.238     6.646   77.262   50.893
LGA    V    72_A      V    72_A     1.255     0    0.050   1.031     2.861   81.429   74.490
LGA    I    73_A      I    73_A     1.083     0    0.055   0.579     1.579   79.286   80.357
LGA    E    74_A      E    74_A     2.121     0    0.210   1.306     9.079   79.524   43.810
LGA    L    75_A      L    75_A     1.111     0    0.265   0.301     2.833   81.548   74.286
LGA    K    76_A      K    76_A     2.532     0    0.553   1.159     7.291   49.524   41.058
LGA    G    77_A      G    77_A     1.872     0    0.082   0.082     2.453   70.833   70.833
LGA    V    78_A      V    78_A     1.748     0    0.022   0.068     2.155   75.000   71.769
LGA    S    79_A      S    79_A     1.717     0    0.094   0.737     2.349   77.143   73.016
LGA    A    80_A      A    80_A     1.013     0    0.058   0.079     1.395   85.952   85.048
LGA    R    81_A      R    81_A     1.103     0    0.058   1.059     5.797   83.690   62.554
LGA    G    82_A      G    82_A     0.895     0    0.035   0.035     0.992   90.476   90.476
LGA    L    83_A      L    83_A     0.389     0    0.029   0.134     0.789   97.619   95.238
LGA    R    84_A      R    84_A     0.547     0    0.060   0.994     4.409   97.619   77.316
LGA    H    85_A      H    85_A     0.756     0    0.046   1.021     2.417   90.476   80.095
LGA    I    86_A      I    86_A     0.636     0    0.032   0.133     0.885   95.238   92.857
LGA    I    87_A      I    87_A     0.282     0    0.039   0.090     0.548  100.000   98.810
LGA    D    88_A      D    88_A     0.265     0    0.042   0.758     3.077  100.000   83.988
LGA    F    89_A      F    89_A     0.254     0    0.032   0.091     0.880  100.000   94.805
LGA    A    90_A      A    90_A     0.226     0    0.047   0.045     0.271  100.000  100.000
LGA    Y    91_A      Y    91_A     0.551     0    0.188   0.170     1.153   90.595   93.690
LGA    S    92_A      S    92_A     0.803     0    0.042   0.555     2.061   90.476   86.190
LGA    A    93_A      A    93_A     0.952     0    0.066   0.070     1.180   88.214   86.857
LGA    E    94_A      E    94_A     0.723     0    0.048   0.609     1.810   90.476   83.598
LGA    V    95_A      V    95_A     0.704     0    0.024   1.195     2.868   90.476   82.313
LGA    T    96_A      T    96_A     0.824     0    0.067   0.106     1.385   85.952   87.891
LGA    L    97_A      L    97_A     1.824     0    0.056   1.051     2.577   77.143   73.095
LGA    D    98_A      D    98_A     1.927     0    0.044   1.123     3.354   77.143   71.131
LGA    L    99_A      L    99_A     1.717     0    0.075   0.871     2.088   75.119   77.381
LGA    D   100_A      D   100_A     1.298     0    0.025   0.889     4.391   81.548   66.488
LGA    C   101_A      C   101_A     1.018     0    0.147   0.698     3.425   88.214   80.714
LGA    V   102_A      V   102_A     0.875     0    0.038   1.122     2.761   88.214   80.748
LGA    Q   103_A      Q   103_A     1.154     0    0.034   1.209     4.505   81.429   70.317
LGA    D   104_A      D   104_A     1.029     0    0.034   0.830     2.857   85.952   78.512
LGA    V   105_A      V   105_A     0.553     0    0.039   1.150     3.138   92.857   83.537
LGA    L   106_A      L   106_A     0.549     0    0.040   0.127     0.923   90.476   92.857
LGA    G   107_A      G   107_A     0.662     0    0.041   0.041     0.721   90.476   90.476
LGA    A   108_A      A   108_A     0.489     0    0.055   0.054     0.616   97.619   96.190
LGA    A   109_A      A   109_A     0.405     0    0.036   0.042     0.494  100.000  100.000
LGA    V   110_A      V   110_A     0.568     0    0.046   0.922     2.267   92.857   86.871
LGA    F   111_A      F   111_A     0.561     0    0.054   0.436     1.484   90.476   88.009
LGA    L   112_A      L   112_A     1.186     0    0.124   0.213     2.152   81.548   76.190
LGA    Q   113_A      Q   113_A     1.315     0    0.054   0.725     3.855   77.143   71.746
LGA    M   114_A      M   114_A     1.789     0    0.100   1.027     3.790   72.857   67.143
LGA    L   115_A      L   115_A     1.736     0    0.033   0.938     3.247   75.000   70.060
LGA    P   116_A      P   116_A     1.310     0    0.083   0.159     1.930   81.429   78.980
LGA    V   117_A      V   117_A     1.177     0    0.017   0.098     1.225   81.429   81.429
LGA    V   118_A      V   118_A     0.780     0    0.021   0.086     1.049   88.214   89.184
LGA    E   119_A      E   119_A     1.227     0    0.043   0.148     1.439   81.429   82.434
LGA    L   120_A      L   120_A     1.352     0    0.057   1.451     4.075   79.286   67.024
LGA    C   121_A      C   121_A     0.970     0    0.041   0.083     1.151   85.952   87.460
LGA    E   122_A      E   122_A     1.112     0    0.055   0.946     3.583   83.690   74.656
LGA    E   123_A      E   123_A     1.757     0    0.030   0.825     2.983   75.000   66.825
LGA    F   124_A      F   124_A     1.549     0    0.020   1.234     5.951   75.000   58.398
LGA    L   125_A      L   125_A     1.367     0    0.040   0.195     1.552   81.429   81.488
LGA    K   126_A      K   126_A     1.901     0    0.016   1.083     5.529   70.833   56.243
LGA    A   127_A      A   127_A     1.623     0    0.011   0.035     1.752   75.000   74.571
LGA    A   128_A      A   128_A     1.407     0    0.067   0.066     1.552   79.286   78.000
LGA    M   129_A      M   129_A     1.700     0    0.648   1.153     4.627   75.238   66.012

# 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):     8.975          8.848                  9.300           74.077   68.519

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    111    1.59    80.000    73.012     6.551

LGA_LOCAL      RMSD:   1.594  Number of atoms:  111  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   9.606  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   8.975  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.366347 * X  +   0.930324 * Y  +   0.016956 * Z  + -16.212030
  Y_new =   0.896447 * X  +  -0.357772 * Y  +   0.261500 * Z  + -32.645588
  Z_new =   0.249346 * X  +  -0.080600 * Y  +  -0.965054 * Z  + 131.059982 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.182842 -0.252005 -3.058267   [DEG:   67.7719  -14.4388 -175.2258 ]
ZXZ:  3.076844  2.876447  1.883441   [DEG:  176.2902  164.8083  107.9132 ]
 
# END of job
