
#######################################################
#                                                     #
#                        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  132 ( 1136),  selected  124 , name one
# Molecule2: number of CA atoms  124 ( 1059),  selected  124 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:D  -ch2:D  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    71       2_D - 72_D        4.91    24.64
  LCS_AVERAGE:     44.95

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58       2_D - 59_D        1.95    25.29
  LCS_AVERAGE:     30.79

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      30_D - 58_D        0.93    25.10
  LONGEST_CONTINUOUS_SEGMENT:    29      97_D - 125_D       0.77    21.83
  LCS_AVERAGE:     15.77

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
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     D     2_D     D     2_D     24   58   71      8   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     K     3_D     K     3_D     24   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     E     4_D     E     4_D     24   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     I     5_D     I     5_D     24   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     A     6_D     A     6_D     24   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     K     7_D     K     7_D     24   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     E     8_D     E     8_D     24   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     I     9_D     I     9_D     24   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     F    10_D     F    10_D     24   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     N    11_D     N    11_D     24   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     M    12_D     M    12_D     24   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     M    13_D     M    13_D     24   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     F    14_D     F    14_D     24   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     M    15_D     M    15_D     24   58   71     28   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     L    16_D     L    16_D     24   58   71     32   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     L    17_D     L    17_D     24   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     W    18_D     W    18_D     24   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     R    19_D     R    19_D     24   58   71     28   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     V    20_D     V    20_D     24   58   71     27   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     F    21_D     F    21_D     24   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     R    22_D     R    22_D     24   58   71     15   42   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     S    23_D     S    23_D     24   58   71      3   32   39   51   54   58   58   59   61   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     Q    24_D     Q    24_D     24   58   71     28   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     R    25_D     R    25_D     24   58   71      3    4   22   46   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     I    26_D     I    26_D      3   58   71      3    4   18   21   28   32   41   49   62   62   64   65   65   65   66   68   68   69   69   69 
LCS_GDT     D    27_D     D    27_D      4   58   71      3    4    5    9   18   28   46   57   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     A    28_D     A    28_D      4   58   71      3    4    5    6    8   12   17   22   44   61   63   65   65   65   67   68   68   69   69   69 
LCS_GDT     N    29_D     N    29_D      4   58   71      3    4    5    6   10   19   49   59   61   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     N    30_D     N    30_D     29   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     V    31_D     V    31_D     29   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     E    32_D     E    32_D     29   58   71     35   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     L    33_D     L    33_D     29   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     I    34_D     I    34_D     29   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     K    35_D     K    35_D     29   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     F    36_D     F    36_D     29   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     N    37_D     N    37_D     29   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     I    38_D     I    38_D     29   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     R    39_D     R    39_D     29   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     V    40_D     V    40_D     29   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     L    41_D     L    41_D     29   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     D    42_D     D    42_D     29   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     W    43_D     W    43_D     29   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     I    44_D     I    44_D     29   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     M    45_D     M    45_D     29   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     A    46_D     A    46_D     29   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     E    47_D     E    47_D     29   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     A    48_D     A    48_D     29   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     D    49_D     D    49_D     29   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     N    50_D     N    50_D     29   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     D    51_D     D    51_D     29   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     L    52_D     L    52_D     29   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     C    53_D     C    53_D     29   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     Y    54_D     Y    54_D     29   58   71     25   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     F    55_D     F    55_D     29   58   71     37   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     I    56_D     I    56_D     29   58   71     14   48   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     G    57_D     G    57_D     29   58   71      3    4   12   19   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     T    58_D     T    58_D     29   58   71      5   32   43   51   53   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     H    59_D     H    59_D      5   58   71      3    6   18   26   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     D    60_D     D    60_D      5   38   71      3    5    6   15   24   34   57   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     K    61_D     K    61_D      5   38   71      3    5    9   15   25   32   41   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     C    62_D     C    62_D      5   38   71      3    6   46   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     E    63_D     E    63_D      5   38   71      3   32   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     N    64_D     N    64_D      4   38   71      3    4    4   46   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     P    65_D     P    65_D      4   38   71      3   20   49   51   54   58   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     K    66_D     K    66_D      4   38   71      1    4    4    8   23   34   56   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     E    67_D     E    67_D      3    5   71      1    3    3    6   11   25   34   35   51   59   62   64   66   66   67   68   68   69   69   69 
LCS_GDT     Q    68_D     Q    68_D      3    4   71      3    3    5    9   16   24   28   33   37   42   50   58   66   66   67   68   68   69   69   69 
LCS_GDT     W    69_D     W    69_D      3    3   71      3    3    4    5   15   24   30   33   37   42   52   62   66   66   67   68   68   69   69   69 
LCS_GDT     V    70_D     V    70_D      3    3   71      3    3    3    4   13   20   25   30   34   37   39   44   47   53   59   67   68   69   69   69 
LCS_GDT     A    71_D     A    71_D      3    4   71      3    3    4    5    9   13   17   25   27   32   34   36   38   42   48   50   53   56   60   65 
LCS_GDT     N    72_D     N    72_D      3    6   71      3    3    4    5   10   12   16   22   26   32   33   36   38   42   48   50   53   55   60   65 
LCS_GDT     Y    73_D     Y    73_D      4    6   47      4    4    4    6    9   13   17   25   27   32   34   36   38   42   48   50   52   55   58   64 
LCS_GDT     Q    74_D     Q    74_D      4    6   46      4    4    4    4    9   11   14   19   24   27   31   34   36   38   39   44   48   50   52   54 
LCS_GDT     N    75_D     N    75_D      4    6   14      4    4    5    5    9   11   14   16   23   26   30   33   35   38   39   42   44   48   51   53 
LCS_GDT     L    76_D     L    76_D      4    6   16      4    4    5    5    9   11   14   19   24   27   31   34   36   38   39   43   46   50   51   53 
LCS_GDT     N    77_D     N    77_D      4    6   18      3    4    5    6    9   11   14   17   23   26   31   32   36   38   39   42   44   47   51   53 
LCS_GDT     N    78_D     N    78_D      4    5   18      3    3    4    5    6    7   10   12   15   20   24   29   32   35   39   40   44   47   51   53 
LCS_GDT     V    79_D     V    79_D      4    5   18      3    3    4    5    5    7   10   11   14   19   24   27   32   35   39   40   42   46   51   53 
LCS_GDT     V    80_D     V    80_D      3    5   18      3    4    4    5    5    6   10   12   14   18   22   27   36   39   40   43   46   48   51   53 
LCS_GDT     F    81_D     F    81_D      4    5   33      3    4    4    5    5    7    9   12   22   32   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     T    82_D     T    82_D      4    5   33      3    4    4    6    8   13   19   25   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     N    83_D     N    83_D      4    5   33      3    4    4    7    8   11   17   22   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     K    84_D     K    84_D      4    5   33      3    4    6    7    9   15   19   26   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     E    85_D     E    85_D      3    4   33      3    4    6    7    9   10   11   15   20   23   29   34   37   39   40   43   46   48   51   53 
LCS_GDT     L    86_D     L    86_D      4    6   33      3    4    4    5    7    9   12   17   18   23   26   30   33   39   40   43   46   48   51   53 
LCS_GDT     E    87_D     E    87_D      4    6   33      3    4    4    5    7    9   12   16   19   22   25   29   31   33   36   40   44   48   49   53 
LCS_GDT     D    88_D     D    88_D      4    6   38      3    3    4    5    7    9   12   16   19   22   25   29   31   34   38   43   46   48   51   53 
LCS_GDT     I    89_D     I    89_D      4    6   38      3    3    4    5    7    9   12   16   19   23   27   33   37   39   40   43   46   48   51   53 
LCS_GDT     Y    90_D     Y    90_D      3    6   38      3    3    3    4    6    8   11   16   19   21   25   28   31   34   38   43   46   48   51   53 
LCS_GDT     D    91_D     D    91_D      4    6   38      4    4    4    4    6    8   11   16   19   21   23   28   28   34   38   43   46   48   51   53 
LCS_GDT     L    92_D     L    92_D      4    4   38      4    4    4    4    4    5    9   12   17   21   25   29   31   35   39   43   46   48   51   53 
LCS_GDT     S    93_D     S    93_D      4    4   38      4    4    4    4    4    7   10   12   17   21   23   28   28   36   40   43   46   48   51   53 
LCS_GDT     N    94_D     N    94_D      4    6   38      4    4    4    4    6    8   11   17   24   33   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     K    95_D     K    95_D      6   31   38      5    6   10   17   28   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     E    96_D     E    96_D      6   31   38      5    6   10   17   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     E    97_D     E    97_D     29   31   38      5    5    9   26   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     T    98_D     T    98_D     29   31   38      5   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     K    99_D     K    99_D     29   31   38     19   28   28   28   29   31   31   31   31   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     E   100_D     E   100_D     29   31   38     24   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     V   101_D     V   101_D     29   31   38     24   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     L   102_D     L   102_D     29   31   38     24   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     K   103_D     K   103_D     29   31   38     24   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     K   104_D     K   104_D     29   31   38     24   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     F   105_D     F   105_D     29   31   38     24   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     K   106_D     K   106_D     29   31   38     24   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     E   107_D     E   107_D     29   31   38     24   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     K   108_D     K   108_D     29   31   38     24   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     V   109_D     V   109_D     29   31   38     24   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     N   110_D     N   110_D     29   31   38     24   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     Q   111_D     Q   111_D     29   31   38     24   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     F   112_D     F   112_D     29   31   38     24   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     Y   113_D     Y   113_D     29   31   38     24   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     R   114_D     R   114_D     29   31   38     24   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     H   115_D     H   115_D     29   31   38     24   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     A   116_D     A   116_D     29   31   38     24   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     F   117_D     F   117_D     29   31   38     24   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     D   118_D     D   118_D     29   31   38     24   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     I   119_D     I   119_D     29   31   38     24   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     I   120_D     I   120_D     29   31   38     24   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     N   121_D     N   121_D     29   31   38     16   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     K   122_D     K   122_D     29   31   38     24   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_GDT     Y   123_D     Y   123_D     29   31   38     24   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   50   53 
LCS_GDT     G   124_D     G   124_D     29   31   38     24   28   28   28   29   31   31   31   31   34   36   36   37   39   40   43   46   48   50   53 
LCS_GDT     L   125_D     L   125_D     29   31   38     17   28   28   28   29   31   31   31   32   34   36   36   37   39   40   43   46   48   51   53 
LCS_AVERAGE  LCS_A:  30.50  (  15.77   30.79   44.95 )

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     37     48     49     51     54     58     58     60     62     63     64     65     66     66     67     68     68     69     69     69 
GDT PERCENT_AT  29.84  38.71  39.52  41.13  43.55  46.77  46.77  48.39  50.00  50.81  51.61  52.42  53.23  53.23  54.03  54.84  54.84  55.65  55.65  55.65
GDT RMS_LOCAL    0.28   0.47   0.51   0.64   0.85   1.22   1.22   1.59   1.96   1.88   2.07   2.23   2.89   2.89   3.01   3.12   3.12   3.59   3.59   3.59
GDT RMS_ALL_AT  25.32  25.30  25.33  25.35  25.33  25.29  25.29  25.21  25.34  25.22  25.28  25.26  25.01  25.01  24.99  25.06  25.06  24.95  24.95  24.95

# Checking swapping
#   possible swapping detected:  D     2_D      D     2_D
#   possible swapping detected:  E     4_D      E     4_D
#   possible swapping detected:  E    32_D      E    32_D
#   possible swapping detected:  F    36_D      F    36_D
#   possible swapping detected:  E    47_D      E    47_D
#   possible swapping detected:  Y    54_D      Y    54_D
#   possible swapping detected:  E    63_D      E    63_D
#   possible swapping detected:  E    67_D      E    67_D
#   possible swapping detected:  Y    73_D      Y    73_D
#   possible swapping detected:  D    91_D      D    91_D
#   possible swapping detected:  E    96_D      E    96_D
#   possible swapping detected:  E    97_D      E    97_D
#   possible swapping detected:  F   112_D      F   112_D
#   possible swapping detected:  Y   113_D      Y   113_D

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     2_D      D     2_D     0.586     0    0.611   1.246     5.667   84.048   59.524
LGA    K     3_D      K     3_D     0.668     0    0.023   0.942     4.419   92.857   73.810
LGA    E     4_D      E     4_D     0.557     0    0.018   1.126     4.796   90.476   76.296
LGA    I     5_D      I     5_D     0.283     0    0.029   0.147     0.682  100.000   97.619
LGA    A     6_D      A     6_D     0.557     0    0.017   0.017     0.682   92.857   92.381
LGA    K     7_D      K     7_D     0.713     0    0.022   1.301     6.515   90.476   67.037
LGA    E     8_D      E     8_D     0.459     0    0.110   0.861     3.088   97.619   82.540
LGA    I     9_D      I     9_D     0.301     0    0.019   0.050     0.413  100.000  100.000
LGA    F    10_D      F    10_D     0.538     0    0.015   0.079     0.694   95.238   93.939
LGA    N    11_D      N    11_D     0.542     0    0.014   0.860     2.925   90.476   80.893
LGA    M    12_D      M    12_D     0.430     0    0.074   0.957     4.380  100.000   88.631
LGA    M    13_D      M    13_D     0.241     0    0.015   0.109     0.639  100.000   97.619
LGA    F    14_D      F    14_D     0.404     0    0.029   0.153     1.022  100.000   93.117
LGA    M    15_D      M    15_D     0.744     0    0.075   0.941     2.987   88.214   79.881
LGA    L    16_D      L    16_D     0.864     0    0.076   0.108     1.324   90.476   89.345
LGA    L    17_D      L    17_D     0.426     0    0.027   0.276     0.862   97.619   95.238
LGA    W    18_D      W    18_D     0.740     0    0.012   1.477     7.163   90.476   65.204
LGA    R    19_D      R    19_D     1.199     0    0.047   1.317     5.600   83.690   66.623
LGA    V    20_D      V    20_D     1.130     0    0.041   0.082     1.494   81.429   81.429
LGA    F    21_D      F    21_D     0.120     0    0.058   0.315     1.366   97.619   91.515
LGA    R    22_D      R    22_D     1.925     0    0.129   0.773     3.526   69.048   63.030
LGA    S    23_D      S    23_D     2.679     0    0.318   0.292     3.919   69.048   60.476
LGA    Q    24_D      Q    24_D     0.888     0    0.589   0.756     2.361   83.810   80.635
LGA    R    25_D      R    25_D     3.404     0    0.667   1.463    15.949   41.429   18.182
LGA    I    26_D      I    26_D     7.656     0    0.591   0.575    12.179   11.429    5.774
LGA    D    27_D      D    27_D     6.189     0    0.454   0.895     7.288   20.476   17.917
LGA    A    28_D      A    28_D     7.580     0    0.701   0.640     9.360   12.738   10.476
LGA    N    29_D      N    29_D     5.331     0    0.012   0.895     9.963   34.167   20.238
LGA    N    30_D      N    30_D     0.695     0    0.437   0.538     5.213   84.048   64.226
LGA    V    31_D      V    31_D     0.799     0    0.038   0.068     1.102   90.476   89.184
LGA    E    32_D      E    32_D     0.898     0    0.018   0.774     2.727   90.476   77.249
LGA    L    33_D      L    33_D     0.783     0    0.038   0.090     0.946   90.476   90.476
LGA    I    34_D      I    34_D     0.473     0    0.026   0.069     0.546   92.857   96.429
LGA    K    35_D      K    35_D     0.589     0    0.019   0.541     1.831   90.476   87.513
LGA    F    36_D      F    36_D     0.751     0    0.059   0.100     1.276   90.476   86.364
LGA    N    37_D      N    37_D     0.549     0    0.079   0.099     0.874   90.476   90.476
LGA    I    38_D      I    38_D     0.558     0    0.024   0.134     0.720   90.476   92.857
LGA    R    39_D      R    39_D     0.720     0    0.012   0.974     4.694   90.476   76.797
LGA    V    40_D      V    40_D     0.783     0    0.021   0.058     0.853   90.476   90.476
LGA    L    41_D      L    41_D     0.758     0    0.036   0.347     1.661   90.476   88.274
LGA    D    42_D      D    42_D     0.853     0    0.029   0.084     0.952   90.476   90.476
LGA    W    43_D      W    43_D     0.743     0    0.037   0.145     1.492   90.476   85.306
LGA    I    44_D      I    44_D     0.669     0    0.040   0.086     0.734   90.476   90.476
LGA    M    45_D      M    45_D     0.759     0    0.014   0.152     0.886   90.476   91.667
LGA    A    46_D      A    46_D     0.815     0    0.016   0.019     0.843   90.476   90.476
LGA    E    47_D      E    47_D     0.611     0    0.031   0.162     0.669   90.476   91.534
LGA    A    48_D      A    48_D     0.620     0    0.013   0.021     0.701   90.476   90.476
LGA    D    49_D      D    49_D     0.742     0    0.023   0.189     1.360   90.476   89.345
LGA    N    50_D      N    50_D     0.638     0    0.022   0.988     4.236   90.476   75.476
LGA    D    51_D      D    51_D     0.525     0    0.010   0.086     0.745   90.476   95.238
LGA    L    52_D      L    52_D     0.801     0    0.017   0.117     1.046   90.476   89.345
LGA    C    53_D      C    53_D     0.771     0    0.024   0.568     1.898   90.476   87.540
LGA    Y    54_D      Y    54_D     1.005     0    0.028   0.097     2.481   88.214   77.381
LGA    F    55_D      F    55_D     0.948     0    0.604   0.773     3.417   78.095   75.022
LGA    I    56_D      I    56_D     0.960     0    0.494   0.423     1.820   83.810   83.750
LGA    G    57_D      G    57_D     2.902     0    0.475   0.475     3.567   55.595   55.595
LGA    T    58_D      T    58_D     3.237     0    0.137   1.028     6.994   55.833   42.041
LGA    H    59_D      H    59_D     2.881     0    0.378   1.364     3.729   61.071   54.524
LGA    D    60_D      D    60_D     4.970     0    0.332   0.343     7.677   32.857   22.798
LGA    K    61_D      K    61_D     4.973     0    0.182   0.866     9.733   34.405   18.095
LGA    C    62_D      C    62_D     2.414     0    0.333   0.793     2.739   69.048   69.127
LGA    E    63_D      E    63_D     1.238     0    0.098   0.469     2.387   75.119   77.037
LGA    N    64_D      N    64_D     2.297     0    0.165   0.828     6.974   70.952   49.643
LGA    P    65_D      P    65_D     2.312     0    0.634   0.547     3.536   67.024   60.884
LGA    K    66_D      K    66_D     4.315     0    0.578   1.295    14.250   30.476   15.820
LGA    E    67_D      E    67_D     9.249     0    0.629   1.005    11.790    2.857    1.270
LGA    Q    68_D      Q    68_D    12.038     0    0.609   1.151    16.834    0.000    0.000
LGA    W    69_D      W    69_D    12.002     0    0.575   0.954    14.557    0.000    0.204
LGA    V    70_D      V    70_D    16.907     0    0.588   0.617    19.690    0.000    0.000
LGA    A    71_D      A    71_D    22.978     0    0.620   0.581    24.384    0.000    0.000
LGA    N    72_D      N    72_D    24.460     0    0.553   0.835    27.930    0.000    0.000
LGA    Y    73_D      Y    73_D    24.511     0    0.245   1.315    28.344    0.000    0.000
LGA    Q    74_D      Q    74_D    30.612     0    0.080   1.085    34.459    0.000    0.000
LGA    N    75_D      N    75_D    35.226     0    0.198   0.229    37.317    0.000    0.000
LGA    L    76_D      L    76_D    32.543     0    0.600   0.990    34.497    0.000    0.000
LGA    N    77_D      N    77_D    37.123     0    0.638   1.202    40.427    0.000    0.000
LGA    N    78_D      N    78_D    41.391     0    0.393   0.420    45.856    0.000    0.000
LGA    V    79_D      V    79_D    36.835     0    0.159   1.205    38.101    0.000    0.000
LGA    V    80_D      V    80_D    37.013     0    0.629   0.649    40.018    0.000    0.000
LGA    F    81_D      F    81_D    40.362     0    0.536   0.605    44.309    0.000    0.000
LGA    T    82_D      T    82_D    47.314     0    0.654   0.544    48.562    0.000    0.000
LGA    N    83_D      N    83_D    49.120     0    0.266   0.864    53.597    0.000    0.000
LGA    K    84_D      K    84_D    51.871     0    0.587   0.482    58.217    0.000    0.000
LGA    E    85_D      E    85_D    48.535     0    0.626   0.745    51.890    0.000    0.000
LGA    L    86_D      L    86_D    44.291     0    0.618   0.984    45.740    0.000    0.000
LGA    E    87_D      E    87_D    48.705     0    0.588   1.419    52.598    0.000    0.000
LGA    D    88_D      D    88_D    48.424     0    0.338   0.354    53.901    0.000    0.000
LGA    I    89_D      I    89_D    41.133     0    0.182   1.360    43.884    0.000    0.000
LGA    Y    90_D      Y    90_D    41.451     0    0.600   1.367    43.997    0.000    0.000
LGA    D    91_D      D    91_D    46.632     0    0.672   1.213    48.331    0.000    0.000
LGA    L    92_D      L    92_D    45.627     0    0.030   0.137    49.741    0.000    0.000
LGA    S    93_D      S    93_D    40.060     0    0.470   0.708    42.177    0.000    0.000
LGA    N    94_D      N    94_D    39.823     0    0.099   0.113    41.974    0.000    0.000
LGA    K    95_D      K    95_D    40.097     0    0.610   0.982    43.082    0.000    0.000
LGA    E    96_D      E    96_D    38.084     0    0.030   1.151    43.340    0.000    0.000
LGA    E    97_D      E    97_D    30.715     0    0.111   1.028    33.391    0.000    0.000
LGA    T    98_D      T    98_D    31.848     0    0.167   1.094    33.914    0.000    0.000
LGA    K    99_D      K    99_D    37.058     0    0.027   0.773    46.862    0.000    0.000
LGA    E   100_D      E   100_D    33.118     0    0.003   1.424    34.198    0.000    0.000
LGA    V   101_D      V   101_D    27.295     0    0.028   0.174    29.315    0.000    0.000
LGA    L   102_D      L   102_D    32.061     0    0.029   1.341    35.415    0.000    0.000
LGA    K   103_D      K   103_D    36.023     0    0.011   0.500    45.139    0.000    0.000
LGA    K   104_D      K   104_D    30.336     0    0.020   0.412    32.132    0.000    0.000
LGA    F   105_D      F   105_D    27.613     0    0.021   1.394    29.663    0.000    0.000
LGA    K   106_D      K   106_D    34.335     0    0.051   0.985    43.974    0.000    0.000
LGA    E   107_D      E   107_D    35.309     0    0.023   1.047    38.174    0.000    0.000
LGA    K   108_D      K   108_D    28.576     0    0.027   0.058    30.673    0.000    0.000
LGA    V   109_D      V   109_D    29.375     0    0.036   0.049    31.688    0.000    0.000
LGA    N   110_D      N   110_D    36.246     0    0.020   0.057    41.372    0.000    0.000
LGA    Q   111_D      Q   111_D    34.074     0    0.049   0.161    34.433    0.000    0.000
LGA    F   112_D      F   112_D    28.209     0    0.016   1.461    30.077    0.000    0.000
LGA    Y   113_D      Y   113_D    32.888     0    0.024   0.089    35.222    0.000    0.000
LGA    R   114_D      R   114_D    38.031     0    0.036   0.324    43.614    0.000    0.000
LGA    H   115_D      H   115_D    33.481     0    0.018   1.094    34.619    0.000    0.000
LGA    A   116_D      A   116_D    29.776     0    0.019   0.019    32.005    0.000    0.000
LGA    F   117_D      F   117_D    36.218     0    0.054   0.069    38.979    0.000    0.000
LGA    D   118_D      D   118_D    39.954     0    0.036   0.093    43.894    0.000    0.000
LGA    I   119_D      I   119_D    35.042     0    0.035   0.113    36.507    0.000    0.000
LGA    I   120_D      I   120_D    35.683     0    0.015   0.095    39.384    0.000    0.000
LGA    N   121_D      N   121_D    43.272     0    0.019   0.057    45.812    0.000    0.000
LGA    K   122_D      K   122_D    44.249     0    0.013   0.218    47.346    0.000    0.000
LGA    Y   123_D      Y   123_D    39.674     0    0.023   1.365    42.275    0.000    0.000
LGA    G   124_D      G   124_D    36.530     0    0.066   0.066    38.399    0.000    0.000
LGA    L   125_D      L   125_D    42.986     0    0.150   0.204    46.647    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00    1059   1059  100.00               124
SUMMARY(RMSD_GDC):    15.470         15.462                 16.366           41.762   38.308

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  124    4.0     60    1.59    45.766    42.691     3.543

LGA_LOCAL      RMSD:   1.594  Number of atoms:   60  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  25.208  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  15.470  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.543377 * X  +   0.223133 * Y  +  -0.809292 * Z  + -10.767160
  Y_new =   0.399581 * X  +  -0.916565 * Y  +   0.015578 * Z  + -38.500393
  Z_new =  -0.738293 * X  +  -0.331843 * Y  +  -0.587200 * Z  +  68.882484 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.634070  0.830536 -2.627209   [DEG:   36.3295   47.5862 -150.5280 ]
ZXZ: -1.590043  2.198391 -1.993212   [DEG:  -91.1028  125.9586 -114.2026 ]
 
# END of job
