
#######################################################
#                                                     #
#                        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        4.94    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        1.98    25.33
  LCS_AVERAGE:     30.75

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      30_D - 58_D        0.84    25.14
  LONGEST_CONTINUOUS_SEGMENT:    29      97_D - 125_D       0.81    21.84
  LCS_AVERAGE:     15.74

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     11   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     K     3_D     K     3_D     24   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     E     4_D     E     4_D     24   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     I     5_D     I     5_D     24   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     A     6_D     A     6_D     24   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     K     7_D     K     7_D     24   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     E     8_D     E     8_D     24   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     I     9_D     I     9_D     24   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     F    10_D     F    10_D     24   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     N    11_D     N    11_D     24   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     M    12_D     M    12_D     24   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     M    13_D     M    13_D     24   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     F    14_D     F    14_D     24   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     M    15_D     M    15_D     24   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     L    16_D     L    16_D     24   58   71     33   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     L    17_D     L    17_D     24   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     W    18_D     W    18_D     24   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     R    19_D     R    19_D     24   58   71     21   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     V    20_D     V    20_D     24   58   71     28   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     F    21_D     F    21_D     24   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     R    22_D     R    22_D     24   58   71     24   46   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     S    23_D     S    23_D     24   58   71      3   28   48   51   53   56   58   60   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     Q    24_D     Q    24_D     24   58   71     26   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     R    25_D     R    25_D     24   58   71      3    4   26   49   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     I    26_D     I    26_D      3   58   71      3    4    4    5   25   32   39   47   56   60   63   65   65   65   66   68   68   69   69   69 
LCS_GDT     D    27_D     D    27_D      4   58   71      3    4    4   11   18   29   49   56   60   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     A    28_D     A    28_D      4   58   71      3    4    4    6    8   12   18   24   46   60   63   65   65   65   67   68   68   69   69   69 
LCS_GDT     N    29_D     N    29_D      4   58   71      3    4    4    6   26   44   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     N    30_D     N    30_D     29   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     V    31_D     V    31_D     29   58   71     33   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     E    32_D     E    32_D     29   58   71     29   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     L    33_D     L    33_D     29   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     I    34_D     I    34_D     29   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     K    35_D     K    35_D     29   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     F    36_D     F    36_D     29   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     N    37_D     N    37_D     29   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     I    38_D     I    38_D     29   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     R    39_D     R    39_D     29   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     V    40_D     V    40_D     29   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     L    41_D     L    41_D     29   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     D    42_D     D    42_D     29   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     W    43_D     W    43_D     29   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     I    44_D     I    44_D     29   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     M    45_D     M    45_D     29   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     A    46_D     A    46_D     29   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     E    47_D     E    47_D     29   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     A    48_D     A    48_D     29   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     D    49_D     D    49_D     29   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     N    50_D     N    50_D     29   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     D    51_D     D    51_D     29   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     L    52_D     L    52_D     29   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     C    53_D     C    53_D     29   58   71     38   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     Y    54_D     Y    54_D     29   58   71     29   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     F    55_D     F    55_D     29   58   71     28   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     I    56_D     I    56_D     29   58   71     18   48   49   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     G    57_D     G    57_D     29   58   71      3    9   13   50   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     T    58_D     T    58_D     29   58   71      3    4   43   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     H    59_D     H    59_D      4   58   71      3    4    8   20   32   47   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     D    60_D     D    60_D      4   38   71      3    4    4    9   25   39   57   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     K    61_D     K    61_D      4   38   71      3    4    5   10   25   28   48   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     C    62_D     C    62_D      4   38   71      3    4   12   37   51   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     E    63_D     E    63_D      4   38   71      3   25   49   50   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     N    64_D     N    64_D      4   38   71      3    4    4   23   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     P    65_D     P    65_D      4   38   71      3    4   48   51   53   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     K    66_D     K    66_D      4   38   71      3    4    6   12   47   56   58   61   62   63   63   65   66   66   67   68   68   69   69   69 
LCS_GDT     E    67_D     E    67_D      3    4   71      3    3    5   13   23   31   33   37   48   59   63   64   66   66   67   68   68   69   69   69 
LCS_GDT     Q    68_D     Q    68_D      3    4   71      3    3    5   10   21   26   32   35   37   44   50   60   66   66   67   68   68   69   69   69 
LCS_GDT     W    69_D     W    69_D      3    3   71      3    3    3    7   21   29   32   35   41   44   54   63   66   66   67   68   68   69   69   69 
LCS_GDT     V    70_D     V    70_D      3    3   71      3    3    4    7   16   20   26   33   34   37   37   42   47   51   58   66   67   69   69   69 
LCS_GDT     A    71_D     A    71_D      3    4   71      3    3    4    6   10   13   18   26   29   33   35   37   39   41   46   50   52   55   60   64 
LCS_GDT     N    72_D     N    72_D      3    6   71      3    3    4    5    7   12   17   22   28   31   34   37   39   41   46   50   52   55   59   64 
LCS_GDT     Y    73_D     Y    73_D      4    6   47      4    4    4    6   10   13   19   26   29   33   35   37   39   41   46   50   52   55   58   64 
LCS_GDT     Q    74_D     Q    74_D      4    6   47      4    4    4    4    9   11   14   20   26   30   33   36   38   39   41   42   47   51   52   54 
LCS_GDT     N    75_D     N    75_D      4    6   14      4    4    4    6    9   11   13   17   24   29   32   33   38   39   40   41   45   49   52   53 
LCS_GDT     L    76_D     L    76_D      4    6   16      4    4    4    6    9   11   14   19   26   30   33   36   38   39   41   42   46   51   52   53 
LCS_GDT     N    77_D     N    77_D      4    6   18      3    3    4    6    9   11   13   18   24   29   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    7   10   12   15   20   26   29   33   38   40   41   43   47   51   53 
LCS_GDT     V    79_D     V    79_D      4    5   18      3    3    4    5    5    6   10   11   14   19   26   29   33   37   40   41   43   46   51   53 
LCS_GDT     V    80_D     V    80_D      3    5   18      3    4    4    5    5    6   10   11   14   17   25   28   36   39   40   43   46   48   51   53 
LCS_GDT     F    81_D     F    81_D      4    4   32      3    4    4    5    5    7    8   12   19   32   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     T    82_D     T    82_D      4    4   33      3    4    4    6    6    8   17   20   28   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     N    83_D     N    83_D      4    4   33      3    4    4    6    8   10   15   20   28   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     K    84_D     K    84_D      4    4   33      3    4    6    7    8   14   17   20   30   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     E    85_D     E    85_D      3    4   33      3    4    6    7    8   10   12   15   18   23   29   35   38   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   18   24   27   29   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   13   16   19   24   27   29   32   33   36   40   44   48   49   53 
LCS_GDT     D    88_D     D    88_D      4    6   38      3    3    4    5    7    9   13   16   19   24   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   24   27   32   38   39   40   43   46   48   51   53 
LCS_GDT     Y    90_D     Y    90_D      3    6   38      3    3    3    4    5    8   13   16   19   24   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   11   16   19   24   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   12   17   24   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    7   10   12   17   20   23   29   30   36   40   43   46   48   51   53 
LCS_GDT     N    94_D     N    94_D      4    4   38      4    4    4    4    6    8   11   16   24   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     K    95_D     K    95_D      6   31   38      5    5   11   17   26   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     E    96_D     E    96_D      6   31   38      5    5   10   17   28   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     E    97_D     E    97_D     29   31   38      5    5    9   22   29   31   31   31   31   33   36   36   38   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   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     K    99_D     K    99_D     29   31   38     20   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     E   100_D     E   100_D     29   31   38     20   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     V   101_D     V   101_D     29   31   38     22   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     L   102_D     L   102_D     29   31   38     22   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     K   103_D     K   103_D     29   31   38     22   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     K   104_D     K   104_D     29   31   38     22   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     F   105_D     F   105_D     29   31   38     22   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     K   106_D     K   106_D     29   31   38     22   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     E   107_D     E   107_D     29   31   38     22   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     K   108_D     K   108_D     29   31   38     22   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     V   109_D     V   109_D     29   31   38     22   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     N   110_D     N   110_D     29   31   38     22   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     Q   111_D     Q   111_D     29   31   38     22   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     F   112_D     F   112_D     29   31   38     22   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     Y   113_D     Y   113_D     29   31   38     22   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     R   114_D     R   114_D     29   31   38     22   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     H   115_D     H   115_D     29   31   38     22   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     A   116_D     A   116_D     29   31   38     22   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     F   117_D     F   117_D     29   31   38     22   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     D   118_D     D   118_D     29   31   38     22   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     I   119_D     I   119_D     29   31   38     22   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     I   120_D     I   120_D     29   31   38     16   28   28   28   29   31   31   31   31   33   36   36   38   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   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     K   122_D     K   122_D     29   31   38     22   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_GDT     Y   123_D     Y   123_D     29   31   38     22   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   50   53 
LCS_GDT     G   124_D     G   124_D     29   31   38     22   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   50   53 
LCS_GDT     L   125_D     L   125_D     29   31   38      3   28   28   28   29   31   31   31   31   33   36   36   38   39   40   43   46   48   51   53 
LCS_AVERAGE  LCS_A:  30.48  (  15.74   30.75   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     38     48     49     51     53     56     58     61     62     63     63     65     66     66     67     68     68     69     69     69 
GDT PERCENT_AT  30.65  38.71  39.52  41.13  42.74  45.16  46.77  49.19  50.00  50.81  50.81  52.42  53.23  53.23  54.03  54.84  54.84  55.65  55.65  55.65
GDT RMS_LOCAL    0.29   0.45   0.49   0.61   0.79   1.10   1.30   1.70   1.73   1.88   1.88   2.22   2.90   2.90   3.01   3.13   3.13   3.62   3.62   3.62
GDT RMS_ALL_AT  25.35  25.34  25.37  25.39  25.38  25.35  25.28  25.15  25.18  25.25  25.25  25.29  25.04  25.04  25.02  25.09  25.09  24.98  24.98  24.98

# Checking swapping
#   possible swapping detected:  D     2_D      D     2_D
#   possible swapping detected:  E     4_D      E     4_D
#   possible swapping detected:  E     8_D      E     8_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:  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     0.867     0    0.605   1.250     5.430   79.881   58.036
LGA    K     3_D      K     3_D     1.083     0    0.018   0.931     5.041   83.690   65.185
LGA    E     4_D      E     4_D     0.801     0    0.033   1.173     4.485   90.476   75.608
LGA    I     5_D      I     5_D     0.541     0    0.029   0.110     0.830   90.476   91.667
LGA    A     6_D      A     6_D     0.850     0    0.034   0.032     1.007   90.476   88.667
LGA    K     7_D      K     7_D     0.898     0    0.024   1.286     6.847   90.476   64.921
LGA    E     8_D      E     8_D     0.448     0    0.104   0.204     1.400   97.619   94.762
LGA    I     9_D      I     9_D     0.243     0    0.022   0.062     0.440  100.000  100.000
LGA    F    10_D      F    10_D     0.637     0    0.015   0.097     0.838   92.857   92.208
LGA    N    11_D      N    11_D     0.688     0    0.030   0.856     2.662   90.476   82.976
LGA    M    12_D      M    12_D     0.442     0    0.066   1.096     4.522  100.000   84.881
LGA    M    13_D      M    13_D     0.183     0    0.027   0.121     0.613  100.000   97.619
LGA    F    14_D      F    14_D     0.417     0    0.030   0.136     0.987   95.238   92.208
LGA    M    15_D      M    15_D     0.888     0    0.051   0.885     2.674   88.214   82.976
LGA    L    16_D      L    16_D     0.956     0    0.064   0.085     1.350   90.476   87.083
LGA    L    17_D      L    17_D     0.477     0    0.025   0.249     0.830   95.238   95.238
LGA    W    18_D      W    18_D     0.945     0    0.011   1.484     7.555   90.476   64.388
LGA    R    19_D      R    19_D     1.422     0    0.046   1.313     5.697   81.429   64.372
LGA    V    20_D      V    20_D     1.136     0    0.039   0.073     1.325   83.690   82.721
LGA    F    21_D      F    21_D     0.432     0    0.052   0.316     1.262   92.857   90.563
LGA    R    22_D      R    22_D     2.235     0    0.122   0.795     3.737   67.024   58.874
LGA    S    23_D      S    23_D     2.849     0    0.317   0.290     3.939   69.048   60.476
LGA    Q    24_D      Q    24_D     0.797     0    0.589   0.708     1.955   86.190   84.603
LGA    R    25_D      R    25_D     3.142     0    0.669   1.467    15.660   44.524   20.043
LGA    I    26_D      I    26_D     7.738     0    0.592   0.574    12.388   10.833    5.417
LGA    D    27_D      D    27_D     6.327     0    0.459   0.904     7.667   20.476   16.131
LGA    A    28_D      A    28_D     7.292     0    0.705   0.642     9.047   14.405   11.810
LGA    N    29_D      N    29_D     4.784     0    0.014   0.864     9.340   40.000   24.226
LGA    N    30_D      N    30_D     0.957     0    0.438   0.527     5.674   81.548   59.881
LGA    V    31_D      V    31_D     1.109     0    0.034   0.064     1.508   83.690   81.497
LGA    E    32_D      E    32_D     1.118     0    0.016   0.776     2.883   81.429   71.481
LGA    L    33_D      L    33_D     0.904     0    0.034   0.084     1.160   88.214   87.083
LGA    I    34_D      I    34_D     0.513     0    0.023   0.070     0.638   92.857   95.238
LGA    K    35_D      K    35_D     0.645     0    0.020   0.533     1.914   90.476   87.513
LGA    F    36_D      F    36_D     0.771     0    0.052   0.090     1.436   90.476   85.541
LGA    N    37_D      N    37_D     0.429     0    0.081   0.105     0.734   97.619   94.048
LGA    I    38_D      I    38_D     0.502     0    0.022   0.136     0.666   92.857   95.238
LGA    R    39_D      R    39_D     0.746     0    0.014   0.965     4.351   90.476   78.615
LGA    V    40_D      V    40_D     0.835     0    0.019   0.065     0.978   90.476   90.476
LGA    L    41_D      L    41_D     0.753     0    0.038   0.342     1.503   90.476   88.274
LGA    D    42_D      D    42_D     0.943     0    0.027   0.081     1.118   90.476   85.952
LGA    W    43_D      W    43_D     0.920     0    0.026   0.162     1.801   90.476   81.599
LGA    I    44_D      I    44_D     0.747     0    0.040   0.088     0.843   90.476   90.476
LGA    M    45_D      M    45_D     0.798     0    0.020   0.158     0.926   90.476   91.667
LGA    A    46_D      A    46_D     0.957     0    0.018   0.024     1.035   90.476   88.667
LGA    E    47_D      E    47_D     0.775     0    0.033   0.166     0.822   90.476   90.476
LGA    A    48_D      A    48_D     0.721     0    0.027   0.026     0.976   90.476   90.476
LGA    D    49_D      D    49_D     1.007     0    0.013   0.214     1.669   85.952   82.619
LGA    N    50_D      N    50_D     0.913     0    0.041   0.751     2.975   90.476   78.929
LGA    D    51_D      D    51_D     0.630     0    0.014   0.083     0.814   90.476   95.238
LGA    L    52_D      L    52_D     0.927     0    0.010   0.114     1.342   88.214   84.821
LGA    C    53_D      C    53_D     1.131     0    0.012   0.118     1.566   81.429   80.000
LGA    Y    54_D      Y    54_D     1.131     0    0.044   0.157     2.138   81.429   77.183
LGA    F    55_D      F    55_D     1.140     0    0.608   0.688     3.638   69.762   77.186
LGA    I    56_D      I    56_D     0.633     0    0.450   0.383     1.817   86.071   84.881
LGA    G    57_D      G    57_D     2.292     0    0.561   0.561     3.627   59.405   59.405
LGA    T    58_D      T    58_D     2.731     0    0.401   1.054     6.354   71.071   49.864
LGA    H    59_D      H    59_D     4.028     0    0.347   1.444     9.264   46.905   24.095
LGA    D    60_D      D    60_D     4.182     0    0.295   0.385     5.525   37.619   31.310
LGA    K    61_D      K    61_D     4.724     0    0.327   1.077     7.498   35.833   23.492
LGA    C    62_D      C    62_D     2.932     0    0.132   0.822     3.980   61.190   56.349
LGA    E    63_D      E    63_D     1.367     0    0.607   0.816     3.801   65.595   68.148
LGA    N    64_D      N    64_D     2.626     0    0.115   0.634     7.576   65.119   44.583
LGA    P    65_D      P    65_D     2.368     0    0.643   0.554     3.649   69.286   62.177
LGA    K    66_D      K    66_D     3.846     0    0.600   1.258    12.513   32.024   17.831
LGA    E    67_D      E    67_D     9.565     0    0.621   1.034    11.927    2.619    1.164
LGA    Q    68_D      Q    68_D    12.078     0    0.608   1.030    15.398    0.000    0.000
LGA    W    69_D      W    69_D    12.212     0    0.598   0.747    14.769    0.000    0.000
LGA    V    70_D      V    70_D    17.461     0    0.582   0.670    20.566    0.000    0.000
LGA    A    71_D      A    71_D    23.164     0    0.625   0.588    24.591    0.000    0.000
LGA    N    72_D      N    72_D    24.775     0    0.539   0.453    26.555    0.000    0.000
LGA    Y    73_D      Y    73_D    24.575     0    0.228   1.338    28.457    0.000    0.000
LGA    Q    74_D      Q    74_D    30.894     0    0.086   1.102    34.685    0.000    0.000
LGA    N    75_D      N    75_D    35.352     0    0.211   0.223    37.331    0.000    0.000
LGA    L    76_D      L    76_D    32.567     0    0.593   0.955    34.472    0.000    0.000
LGA    N    77_D      N    77_D    37.237     0    0.639   1.177    40.770    0.000    0.000
LGA    N    78_D      N    78_D    41.273     0    0.421   0.470    45.886    0.000    0.000
LGA    V    79_D      V    79_D    36.720     0    0.156   1.199    37.990    0.000    0.000
LGA    V    80_D      V    80_D    36.880     0    0.630   0.650    39.866    0.000    0.000
LGA    F    81_D      F    81_D    40.182     0    0.538   0.611    44.116    0.000    0.000
LGA    T    82_D      T    82_D    47.179     0    0.654   0.545    48.450    0.000    0.000
LGA    N    83_D      N    83_D    49.016     0    0.258   0.848    53.438    0.000    0.000
LGA    K    84_D      K    84_D    51.790     0    0.589   0.481    58.170    0.000    0.000
LGA    E    85_D      E    85_D    48.437     0    0.627   0.750    51.809    0.000    0.000
LGA    L    86_D      L    86_D    44.262     0    0.619   0.985    45.687    0.000    0.000
LGA    E    87_D      E    87_D    48.665     0    0.592   1.424    52.554    0.000    0.000
LGA    D    88_D      D    88_D    48.324     0    0.341   0.358    53.829    0.000    0.000
LGA    I    89_D      I    89_D    40.999     0    0.182   1.362    43.764    0.000    0.000
LGA    Y    90_D      Y    90_D    41.299     0    0.605   1.361    43.838    0.000    0.000
LGA    D    91_D      D    91_D    46.452     0    0.673   1.212    48.186    0.000    0.000
LGA    L    92_D      L    92_D    45.337     0    0.039   0.137    49.403    0.000    0.000
LGA    S    93_D      S    93_D    39.787     0    0.468   0.714    41.921    0.000    0.000
LGA    N    94_D      N    94_D    39.527     0    0.096   0.189    41.894    0.000    0.000
LGA    K    95_D      K    95_D    39.837     0    0.599   1.003    42.998    0.000    0.000
LGA    E    96_D      E    96_D    37.751     0    0.011   1.148    43.163    0.000    0.000
LGA    E    97_D      E    97_D    30.400     0    0.124   1.151    33.040    0.000    0.000
LGA    T    98_D      T    98_D    31.620     0    0.164   1.060    33.633    0.000    0.000
LGA    K    99_D      K    99_D    36.877     0    0.029   0.787    46.640    0.000    0.000
LGA    E   100_D      E   100_D    32.961     0    0.006   1.421    34.022    0.000    0.000
LGA    V   101_D      V   101_D    27.153     0    0.026   0.164    29.160    0.000    0.000
LGA    L   102_D      L   102_D    31.933     0    0.029   1.345    35.235    0.000    0.000
LGA    K   103_D      K   103_D    35.930     0    0.011   0.501    45.192    0.000    0.000
LGA    K   104_D      K   104_D    30.272     0    0.020   0.415    32.047    0.000    0.000
LGA    F   105_D      F   105_D    27.538     0    0.017   1.391    29.599    0.000    0.000
LGA    K   106_D      K   106_D    34.280     0    0.052   0.990    43.793    0.000    0.000
LGA    E   107_D      E   107_D    35.301     0    0.022   1.048    38.301    0.000    0.000
LGA    K   108_D      K   108_D    28.592     0    0.024   0.064    30.671    0.000    0.000
LGA    V   109_D      V   109_D    29.342     0    0.029   0.047    31.666    0.000    0.000
LGA    N   110_D      N   110_D    36.236     0    0.021   0.043    41.399    0.000    0.000
LGA    Q   111_D      Q   111_D    34.108     0    0.051   0.149    34.454    0.000    0.000
LGA    F   112_D      F   112_D    28.217     0    0.017   1.462    30.092    0.000    0.000
LGA    Y   113_D      Y   113_D    32.839     0    0.011   1.398    34.730    0.000    0.000
LGA    R   114_D      R   114_D    37.999     0    0.030   0.315    43.687    0.000    0.000
LGA    H   115_D      H   115_D    33.467     0    0.019   1.153    34.592    0.000    0.000
LGA    A   116_D      A   116_D    29.758     0    0.019   0.018    31.978    0.000    0.000
LGA    F   117_D      F   117_D    36.173     0    0.046   0.086    38.997    0.000    0.000
LGA    D   118_D      D   118_D    39.973     0    0.032   0.069    43.992    0.000    0.000
LGA    I   119_D      I   119_D    35.046     0    0.044   0.084    36.479    0.000    0.000
LGA    I   120_D      I   120_D    35.381     0    0.022   0.859    38.987    0.000    0.000
LGA    N   121_D      N   121_D    42.975     0    0.018   0.055    45.492    0.000    0.000
LGA    K   122_D      K   122_D    44.135     0    0.015   0.255    47.500    0.000    0.000
LGA    Y   123_D      Y   123_D    39.646     0    0.022   1.341    42.204    0.000    0.000
LGA    G   124_D      G   124_D    36.395     0    0.042   0.042    38.219    0.000    0.000
LGA    L   125_D      L   125_D    42.771     0    0.170   0.214    46.639    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):    15.444         15.439                 16.339           41.137   37.670

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  124    4.0     61    1.70    45.968    42.538     3.381

LGA_LOCAL      RMSD:   1.704  Number of atoms:   61  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  25.151  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  15.444  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.462503 * X  +   0.144940 * Y  +  -0.874690 * Z  +  -8.398494
  Y_new =   0.855733 * X  +  -0.331093 * Y  +   0.397616 * Z  + -39.989716
  Z_new =  -0.231974 * X  +  -0.932400 * Y  +  -0.277162 * Z  +  68.724510 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.075294  0.234106 -1.859734   [DEG:   61.6098   13.4133 -106.5549 ]
ZXZ: -1.997451  1.851635 -2.897751   [DEG: -114.4455  106.0909 -166.0289 ]
 
# END of job
