
#######################################################
#                                                     #
#                        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        4.97    24.68
  LCS_AVERAGE:     44.94

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    57       2_D - 58_D        1.89    25.31
  LCS_AVERAGE:     30.25

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      30_D - 58_D        0.86    25.13
  LONGEST_CONTINUOUS_SEGMENT:    29      97_D - 125_D       0.76    21.92
  LCS_AVERAGE:     15.75

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   57   71     10   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     K     3_D     K     3_D     24   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     E     4_D     E     4_D     24   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     I     5_D     I     5_D     24   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     A     6_D     A     6_D     24   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     K     7_D     K     7_D     24   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     E     8_D     E     8_D     24   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     I     9_D     I     9_D     24   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     F    10_D     F    10_D     24   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     N    11_D     N    11_D     24   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     M    12_D     M    12_D     24   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     M    13_D     M    13_D     24   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     F    14_D     F    14_D     24   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     M    15_D     M    15_D     24   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     L    16_D     L    16_D     24   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     L    17_D     L    17_D     24   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     W    18_D     W    18_D     24   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     R    19_D     R    19_D     24   57   71     27   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     V    20_D     V    20_D     24   57   71     29   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     F    21_D     F    21_D     24   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     R    22_D     R    22_D     24   57   71     24   45   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     S    23_D     S    23_D     24   57   71      3   34   47   52   53   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     Q    24_D     Q    24_D     24   57   71     26   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     R    25_D     R    25_D     24   57   71      3    4   18   49   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     I    26_D     I    26_D      3   57   71      3    4    4    4   26   35   41   47   57   61   64   65   65   66   66   68   68   69   69   69 
LCS_GDT     D    27_D     D    27_D      4   57   71      3    4    4   10   18   28   45   57   60   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     A    28_D     A    28_D      4   57   71      3    4    4    6    8   12   18   24   44   61   63   65   65   66   67   68   68   69   69   69 
LCS_GDT     N    29_D     N    29_D      4   57   71      3    4    4    6   21   44   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     N    30_D     N    30_D     29   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     V    31_D     V    31_D     29   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     E    32_D     E    32_D     29   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     L    33_D     L    33_D     29   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     I    34_D     I    34_D     29   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     K    35_D     K    35_D     29   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     F    36_D     F    36_D     29   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     N    37_D     N    37_D     29   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     I    38_D     I    38_D     29   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     R    39_D     R    39_D     29   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     V    40_D     V    40_D     29   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     L    41_D     L    41_D     29   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     D    42_D     D    42_D     29   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     W    43_D     W    43_D     29   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     I    44_D     I    44_D     29   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     M    45_D     M    45_D     29   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     A    46_D     A    46_D     29   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     E    47_D     E    47_D     29   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     A    48_D     A    48_D     29   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     D    49_D     D    49_D     29   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     N    50_D     N    50_D     29   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     D    51_D     D    51_D     29   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     L    52_D     L    52_D     29   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     C    53_D     C    53_D     29   57   71     38   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     Y    54_D     Y    54_D     29   57   71     22   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     F    55_D     F    55_D     29   57   71     35   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     I    56_D     I    56_D     29   57   71     19   48   50   52   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     G    57_D     G    57_D     29   57   71      3    3   13   26   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     T    58_D     T    58_D     29   57   71      4    4   43   51   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     H    59_D     H    59_D      4   38   71      3    3    7   14   25   43   56   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     D    60_D     D    60_D      4   38   71      3    4    6   16   30   53   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     K    61_D     K    61_D      4   38   71      3    4    4    9   25   32   51   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     C    62_D     C    62_D      4   38   71      3    5   14   46   54   56   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     E    63_D     E    63_D      4   38   71      3   47   50   52   54   56   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    8   49   54   56   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   17   48   52   54   56   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    6   21   27   55   58   60   62   63   64   65   66   66   67   68   68   69   69   69 
LCS_GDT     E    67_D     E    67_D      3    4   71      1    3    3   10   24   29   33   39   51   62   62   64   66   66   67   68   68   69   69   69 
LCS_GDT     Q    68_D     Q    68_D      3    4   71      0    3    7   12   21   26   30   34   36   44   51   61   66   66   67   68   68   69   69   69 
LCS_GDT     W    69_D     W    69_D      3    3   71      3    3    5   12   21   28   30   34   42   48   57   64   66   66   67   68   68   69   69   69 
LCS_GDT     V    70_D     V    70_D      3    3   71      4    4    4    9   16   20   26   31   34   35   38   43   46   51   56   63   68   69   69   69 
LCS_GDT     A    71_D     A    71_D      3    4   71      4    4    4    7   10   14   22   26   29   33   34   37   39   41   46   50   53   55   62   65 
LCS_GDT     N    72_D     N    72_D      4    6   71      4    4    4    6    7   10   18   22   28   31   33   37   39   41   46   50   53   55   58   65 
LCS_GDT     Y    73_D     Y    73_D      4    6   47      4    4    4    7   10   14   22   26   29   33   34   37   39   41   46   50   53   55   58   65 
LCS_GDT     Q    74_D     Q    74_D      4    6   47      4    4    4    5    7   11   14   21   26   30   33   35   38   39   41   42   46   51   52   54 
LCS_GDT     N    75_D     N    75_D      4    6   14      4    4    4    6    8   11   13   17   21   28   32   34   37   39   40   42   45   48   52   53 
LCS_GDT     L    76_D     L    76_D      4    6   14      4    4    4    6    8   11   14   21   26   30   33   35   38   39   41   42   46   51   52   54 
LCS_GDT     N    77_D     N    77_D      4    6   18      3    4    4    6    8   11   14   18   25   28   32   34   38   39   40   42   45   48   51   53 
LCS_GDT     N    78_D     N    78_D      4    5   18      3    3    4    5    6    8    9   12   15   20   26   31   35   38   40   42   43   47   51   53 
LCS_GDT     V    79_D     V    79_D      4    5   18      3    3    4    5    5    6    9   11   15   20   26   31   35   38   40   42   43   46   51   53 
LCS_GDT     V    80_D     V    80_D      3    5   18      3    4    4    5    5    6    9   11   15   17   26   28   35   39   40   43   46   48   51   53 
LCS_GDT     F    81_D     F    81_D      4    4   33      3    4    4    5    5    9   12   12   21   31   35   36   37   39   40   43   46   48   51   53 
LCS_GDT     T    82_D     T    82_D      4    4   33      3    4    4    5    7    9   19   22   28   32   35   36   37   39   40   43   46   48   51   53 
LCS_GDT     N    83_D     N    83_D      4    4   33      3    4    4    6    8   10   16   22   28   33   35   36   37   39   40   43   46   48   51   53 
LCS_GDT     K    84_D     K    84_D      4    4   33      3    4    6    7    9   15   19   22   29   33   35   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   12   15   19   23   29   35   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   15   19   23   27   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   10   13   16   19   23   27   29   32   33   36   39   44   48   49   53 
LCS_GDT     D    88_D     D    88_D      4    6   38      3    3    4    5    7   10   13   16   19   23   27   29   32   34   38   43   46   48   51   53 
LCS_GDT     I    89_D     I    89_D      4    6   38      3    3    4    5    7    9   13   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    4    4    5    8   13   16   19   23   27   29   32   34   38   43   46   48   51   53 
LCS_GDT     D    91_D     D    91_D      4    6   38      4    4    4    4    6    8   12   16   19   22   27   29   30   34   38   43   46   48   51   53 
LCS_GDT     L    92_D     L    92_D      4    4   38      4    4    4    4    5    5    8   14   17   23   27   29   32   34   39   43   46   48   51   53 
LCS_GDT     S    93_D     S    93_D      4    4   38      4    4    4    4    5    5   10   12   17   20   23   29   31   36   39   43   46   48   51   53 
LCS_GDT     N    94_D     N    94_D      4    4   38      4    4    4    4    6    8   12   21   26   33   35   36   37   39   40   43   46   48   51   53 
LCS_GDT     K    95_D     K    95_D      6   31   38      5    6   10   16   28   31   31   31   31   33   35   36   37   39   40   43   46   48   51   53 
LCS_GDT     E    96_D     E    96_D      6   31   38      5    6   11   17   29   31   31   31   31   33   35   36   37   39   40   43   46   48   51   53 
LCS_GDT     E    97_D     E    97_D     29   31   38      5    5    9   24   29   31   31   31   31   33   35   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   31   33   35   36   37   39   40   43   46   48   51   53 
LCS_GDT     K    99_D     K    99_D     29   31   38     21   28   28   28   29   31   31   31   31   33   35   36   37   39   40   43   46   48   51   53 
LCS_GDT     E   100_D     E   100_D     29   31   38     21   28   28   28   29   31   31   31   31   33   35   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   31   33   35   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   31   33   35   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   31   33   35   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   31   33   35   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   31   33   35   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   31   33   35   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   31   33   35   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   31   33   35   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   31   33   35   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   31   33   35   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   31   33   35   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   31   33   35   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   31   33   35   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   31   33   35   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   31   33   35   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   31   33   35   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   31   33   35   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   31   33   35   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   31   33   35   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   31   33   35   36   37   39   40   43   46   48   51   53 
LCS_GDT     N   121_D     N   121_D     29   31   38     14   28   28   28   29   31   31   31   31   33   35   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   31   33   35   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   31   33   35   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   33   35   36   37   39   40   43   46   48   50   53 
LCS_GDT     L   125_D     L   125_D     29   31   38     24   28   28   28   29   31   31   31   31   33   35   36   37   39   40   43   46   48   51   53 
LCS_AVERAGE  LCS_A:  30.31  (  15.75   30.25   44.94 )

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     38     48     50     52     54     56     58     60     62     63     64     65     66     66     67     68     68     69     69     69 
GDT PERCENT_AT  30.65  38.71  40.32  41.94  43.55  45.16  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   0.45   0.53   0.65   0.99   1.03   1.25   1.46   1.69   1.85   2.04   2.20   2.89   2.46   3.01   3.12   3.12   3.63   3.63   3.63
GDT RMS_ALL_AT  25.35  25.33  25.35  25.38  25.29  25.35  25.30  25.27  25.19  25.25  25.31  25.29  25.06  25.24  25.04  25.11  25.11  25.00  25.00  25.00

# 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   100_D      E   100_D
#   possible swapping detected:  F   112_D      F   112_D

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     2_D      D     2_D     0.700     0    0.606   1.246     5.493   82.143   60.060
LGA    K     3_D      K     3_D     0.824     0    0.022   0.953     4.703   88.214   69.577
LGA    E     4_D      E     4_D     0.700     0    0.018   1.152     4.535   90.476   74.974
LGA    I     5_D      I     5_D     0.500     0    0.029   0.126     0.713   90.476   91.667
LGA    A     6_D      A     6_D     0.694     0    0.015   0.015     0.803   90.476   90.476
LGA    K     7_D      K     7_D     0.745     0    0.024   1.295     6.755   90.476   66.349
LGA    E     8_D      E     8_D     0.439     0    0.119   0.881     3.233   97.619   81.640
LGA    I     9_D      I     9_D     0.301     0    0.030   0.056     0.404  100.000  100.000
LGA    F    10_D      F    10_D     0.568     0    0.014   0.056     0.713   92.857   92.208
LGA    N    11_D      N    11_D     0.541     0    0.015   0.852     3.011   95.238   82.381
LGA    M    12_D      M    12_D     0.270     0    0.046   0.995     4.164  100.000   90.952
LGA    M    13_D      M    13_D     0.188     0    0.020   0.111     0.513  100.000   97.619
LGA    F    14_D      F    14_D     0.409     0    0.031   0.143     1.002  100.000   93.117
LGA    M    15_D      M    15_D     0.677     0    0.066   0.865     2.977   90.476   81.964
LGA    L    16_D      L    16_D     0.684     0    0.071   0.101     1.123   90.476   89.345
LGA    L    17_D      L    17_D     0.279     0    0.025   0.262     0.964   97.619   95.238
LGA    W    18_D      W    18_D     0.730     0    0.012   1.516     7.518   90.476   64.932
LGA    R    19_D      R    19_D     1.064     0    0.047   1.309     5.379   88.214   70.260
LGA    V    20_D      V    20_D     0.897     0    0.037   0.064     1.240   88.214   86.599
LGA    F    21_D      F    21_D     0.230     0    0.067   0.297     1.441   97.619   90.649
LGA    R    22_D      R    22_D     1.810     0    0.124   0.773     3.745   70.952   63.723
LGA    S    23_D      S    23_D     2.441     0    0.317   0.292     3.679   77.381   66.032
LGA    Q    24_D      Q    24_D     0.720     0    0.590   0.681     2.142   85.952   82.593
LGA    R    25_D      R    25_D     3.529     0    0.667   1.435    15.958   38.333   16.926
LGA    I    26_D      I    26_D     7.805     0    0.591   0.574    12.326   11.429    5.774
LGA    D    27_D      D    27_D     6.313     0    0.446   0.896     7.331   18.214   16.786
LGA    A    28_D      A    28_D     7.585     0    0.690   0.637     9.353   12.738   10.476
LGA    N    29_D      N    29_D     5.319     0    0.021   0.898     9.968   34.167   20.238
LGA    N    30_D      N    30_D     0.457     0    0.432   0.528     5.108   86.429   65.417
LGA    V    31_D      V    31_D     0.573     0    0.034   0.062     0.985   92.857   91.837
LGA    E    32_D      E    32_D     0.643     0    0.017   0.773     2.755   90.476   78.254
LGA    L    33_D      L    33_D     0.545     0    0.039   0.086     0.870   95.238   92.857
LGA    I    34_D      I    34_D     0.179     0    0.025   0.067     0.284  100.000  100.000
LGA    K    35_D      K    35_D     0.326     0    0.018   0.536     1.623  100.000   93.862
LGA    F    36_D      F    36_D     0.559     0    0.052   0.104     1.289   92.857   88.874
LGA    N    37_D      N    37_D     0.418     0    0.088   0.111     0.799  100.000   95.238
LGA    I    38_D      I    38_D     0.371     0    0.022   0.138     0.665  100.000   98.810
LGA    R    39_D      R    39_D     0.544     0    0.012   1.004     4.863   92.857   79.177
LGA    V    40_D      V    40_D     0.620     0    0.017   0.069     0.701   90.476   90.476
LGA    L    41_D      L    41_D     0.600     0    0.036   0.316     1.433   90.476   89.345
LGA    D    42_D      D    42_D     0.756     0    0.027   0.093     0.924   90.476   90.476
LGA    W    43_D      W    43_D     0.682     0    0.029   0.169     1.670   90.476   84.082
LGA    I    44_D      I    44_D     0.545     0    0.046   0.084     0.629   90.476   95.238
LGA    M    45_D      M    45_D     0.633     0    0.013   0.141     0.697   90.476   91.667
LGA    A    46_D      A    46_D     0.728     0    0.014   0.020     0.778   90.476   90.476
LGA    E    47_D      E    47_D     0.577     0    0.051   0.218     0.992   90.476   90.476
LGA    A    48_D      A    48_D     0.599     0    0.021   0.022     0.803   90.476   92.381
LGA    D    49_D      D    49_D     0.792     0    0.021   0.123     1.177   90.476   87.083
LGA    N    50_D      N    50_D     0.724     0    0.023   0.984     4.191   90.476   75.476
LGA    D    51_D      D    51_D     0.558     0    0.011   0.130     0.764   90.476   94.048
LGA    L    52_D      L    52_D     0.819     0    0.023   0.110     1.134   90.476   89.345
LGA    C    53_D      C    53_D     0.908     0    0.026   0.745     2.724   90.476   84.921
LGA    Y    54_D      Y    54_D     1.059     0    0.048   0.082     2.306   83.690   76.548
LGA    F    55_D      F    55_D     1.073     0    0.606   0.700     3.528   71.905   75.628
LGA    I    56_D      I    56_D     0.655     0    0.449   0.383     1.578   86.071   87.143
LGA    G    57_D      G    57_D     2.673     0    0.552   0.552     3.565   57.500   57.500
LGA    T    58_D      T    58_D     2.684     0    0.331   1.017     6.251   66.905   48.163
LGA    H    59_D      H    59_D     4.566     0    0.354   1.455     8.624   40.476   21.714
LGA    D    60_D      D    60_D     4.003     0    0.241   0.306     4.945   40.476   35.952
LGA    K    61_D      K    61_D     4.782     0    0.359   1.035     7.602   35.833   22.857
LGA    C    62_D      C    62_D     2.848     0    0.146   0.815     4.709   63.214   55.714
LGA    E    63_D      E    63_D     1.082     0    0.615   0.792     3.968   69.762   64.868
LGA    N    64_D      N    64_D     2.181     0    0.155   0.727     7.237   73.214   49.048
LGA    P    65_D      P    65_D     2.488     0    0.640   0.550     3.810   67.500   60.204
LGA    K    66_D      K    66_D     3.876     0    0.590   1.265    13.370   32.024   17.672
LGA    E    67_D      E    67_D     9.310     0    0.635   1.261    12.859    2.857    1.270
LGA    Q    68_D      Q    68_D    12.421     0    0.614   0.872    14.686    0.000    0.000
LGA    W    69_D      W    69_D    12.496     0    0.603   0.895    14.639    0.000    0.000
LGA    V    70_D      V    70_D    17.800     0    0.596   0.612    21.154    0.000    0.000
LGA    A    71_D      A    71_D    23.453     0    0.611   0.560    25.065    0.000    0.000
LGA    N    72_D      N    72_D    25.098     0    0.515   0.441    26.895    0.000    0.000
LGA    Y    73_D      Y    73_D    24.838     0    0.215   1.376    28.639    0.000    0.000
LGA    Q    74_D      Q    74_D    30.832     0    0.098   0.946    34.705    0.000    0.000
LGA    N    75_D      N    75_D    35.481     0    0.168   0.185    37.311    0.000    0.000
LGA    L    76_D      L    76_D    32.664     0    0.603   1.015    34.573    0.000    0.000
LGA    N    77_D      N    77_D    37.125     0    0.638   1.220    40.315    0.000    0.000
LGA    N    78_D      N    78_D    41.422     0    0.394   0.422    45.766    0.000    0.000
LGA    V    79_D      V    79_D    36.886     0    0.146   1.212    38.152    0.000    0.000
LGA    V    80_D      V    80_D    36.979     0    0.632   0.650    39.965    0.000    0.000
LGA    F    81_D      F    81_D    40.295     0    0.536   0.612    44.243    0.000    0.000
LGA    T    82_D      T    82_D    47.258     0    0.653   0.545    48.509    0.000    0.000
LGA    N    83_D      N    83_D    49.084     0    0.260   0.852    53.452    0.000    0.000
LGA    K    84_D      K    84_D    51.902     0    0.589   0.505    58.434    0.000    0.000
LGA    E    85_D      E    85_D    48.586     0    0.625   0.742    51.855    0.000    0.000
LGA    L    86_D      L    86_D    44.408     0    0.619   0.990    45.828    0.000    0.000
LGA    E    87_D      E    87_D    48.873     0    0.590   1.425    52.714    0.000    0.000
LGA    D    88_D      D    88_D    48.580     0    0.342   0.355    54.066    0.000    0.000
LGA    I    89_D      I    89_D    41.272     0    0.186   1.352    44.025    0.000    0.000
LGA    Y    90_D      Y    90_D    41.598     0    0.588   1.365    44.143    0.000    0.000
LGA    D    91_D      D    91_D    46.822     0    0.671   1.208    48.510    0.000    0.000
LGA    L    92_D      L    92_D    45.843     0    0.048   0.132    49.943    0.000    0.000
LGA    S    93_D      S    93_D    40.257     0    0.480   0.680    42.428    0.000    0.000
LGA    N    94_D      N    94_D    40.019     0    0.084   0.153    42.306    0.000    0.000
LGA    K    95_D      K    95_D    40.338     0    0.606   0.998    43.604    0.000    0.000
LGA    E    96_D      E    96_D    38.288     0    0.028   1.156    43.563    0.000    0.000
LGA    E    97_D      E    97_D    30.944     0    0.118   1.206    33.595    0.000    0.000
LGA    T    98_D      T    98_D    32.074     0    0.165   1.066    34.154    0.000    0.000
LGA    K    99_D      K    99_D    37.252     0    0.035   0.794    47.058    0.000    0.000
LGA    E   100_D      E   100_D    33.291     0    0.023   1.086    36.859    0.000    0.000
LGA    V   101_D      V   101_D    27.458     0    0.027   0.173    29.483    0.000    0.000
LGA    L   102_D      L   102_D    32.215     0    0.033   1.345    35.567    0.000    0.000
LGA    K   103_D      K   103_D    36.155     0    0.010   0.500    45.147    0.000    0.000
LGA    K   104_D      K   104_D    30.447     0    0.024   0.490    32.249    0.000    0.000
LGA    F   105_D      F   105_D    27.720     0    0.022   1.389    29.762    0.000    0.000
LGA    K   106_D      K   106_D    34.426     0    0.046   1.007    44.002    0.000    0.000
LGA    E   107_D      E   107_D    35.381     0    0.021   1.048    38.278    0.000    0.000
LGA    K   108_D      K   108_D    28.634     0    0.026   0.071    30.739    0.000    0.000
LGA    V   109_D      V   109_D    29.415     0    0.031   0.045    31.717    0.000    0.000
LGA    N   110_D      N   110_D    36.266     0    0.018   0.030    41.508    0.000    0.000
LGA    Q   111_D      Q   111_D    34.069     0    0.048   0.145    34.443    0.000    0.000
LGA    F   112_D      F   112_D    28.201     0    0.016   1.464    30.071    0.000    0.000
LGA    Y   113_D      Y   113_D    32.872     0    0.018   1.399    34.787    0.000    0.000
LGA    R   114_D      R   114_D    38.010     0    0.031   0.305    43.670    0.000    0.000
LGA    H   115_D      H   115_D    33.458     0    0.017   1.138    34.592    0.000    0.000
LGA    A   116_D      A   116_D    29.761     0    0.018   0.019    31.986    0.000    0.000
LGA    F   117_D      F   117_D    36.186     0    0.047   0.086    38.988    0.000    0.000
LGA    D   118_D      D   118_D    39.944     0    0.030   0.075    43.920    0.000    0.000
LGA    I   119_D      I   119_D    35.027     0    0.034   0.106    36.506    0.000    0.000
LGA    I   120_D      I   120_D    35.609     0    0.021   0.716    39.245    0.000    0.000
LGA    N   121_D      N   121_D    43.201     0    0.012   0.053    45.673    0.000    0.000
LGA    K   122_D      K   122_D    44.243     0    0.024   0.240    47.480    0.000    0.000
LGA    Y   123_D      Y   123_D    39.689     0    0.023   1.370    42.379    0.000    0.000
LGA    G   124_D      G   124_D    36.371     0    0.081   0.081    38.159    0.000    0.000
LGA    L   125_D      L   125_D    42.696     0    0.164   0.224    45.614    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):    15.469         15.462                 16.345           42.089   38.360

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  124    4.0     60    1.46    45.968    42.572     3.845

LGA_LOCAL      RMSD:   1.461  Number of atoms:   60  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  25.269  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  15.469  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.664030 * X  +   0.460822 * Y  +  -0.588818 * Z  +  -7.784482
  Y_new =  -0.106259 * X  +  -0.721348 * Y  +  -0.684373 * Z  + -37.220764
  Z_new =  -0.740117 * X  +   0.517012 * Y  +  -0.430030 * Z  +  71.412659 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.158675  0.833244  2.264606   [DEG:   -9.0914   47.7414  129.7524 ]
ZXZ: -0.710487  2.015323 -0.961041   [DEG:  -40.7079  115.4695  -55.0636 ]
 
# END of job
