
#######################################################
#                                                     #
#                        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:    49       2_D - 50_D        4.68    22.56
  LONGEST_CONTINUOUS_SEGMENT:    49       3_D - 51_D        4.92    22.18
  LCS_AVERAGE:     29.55

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26       2_D - 27_D        1.52    27.39
  LCS_AVERAGE:     15.02

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25       2_D - 26_D        0.98    27.66
  LCS_AVERAGE:     12.46

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     25   26   49     13   21   24   24   24   25   25   26   26   28   36   41   43   47   48   48   51   52   54   54 
LCS_GDT     K     3_D     K     3_D     25   26   49     13   22   24   24   24   25   25   26   26   27   33   39   43   46   48   49   51   52   54   54 
LCS_GDT     E     4_D     E     4_D     25   26   49     13   22   24   24   24   25   25   26   26   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     I     5_D     I     5_D     25   26   49     13   22   24   24   24   25   25   26   31   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     A     6_D     A     6_D     25   26   49     13   22   24   24   24   25   25   26   26   34   41   44   46   47   48   49   51   52   54   54 
LCS_GDT     K     7_D     K     7_D     25   26   49     13   22   24   24   24   25   25   26   26   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     E     8_D     E     8_D     25   26   49     13   22   24   24   24   25   25   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     I     9_D     I     9_D     25   26   49     13   22   24   24   24   25   25   26   31   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     F    10_D     F    10_D     25   26   49     13   22   24   24   24   25   25   26   26   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     N    11_D     N    11_D     25   26   49     13   22   24   24   24   25   25   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     M    12_D     M    12_D     25   26   49     13   22   24   24   24   25   25   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     M    13_D     M    13_D     25   26   49     13   22   24   24   24   25   25   26   31   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     F    14_D     F    14_D     25   26   49     11   22   24   24   24   25   25   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     M    15_D     M    15_D     25   26   49     13   22   24   24   24   25   25   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     L    16_D     L    16_D     25   26   49     13   22   24   24   24   25   25   29   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     L    17_D     L    17_D     25   26   49     13   22   24   24   24   25   25   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     W    18_D     W    18_D     25   26   49      6   22   24   24   24   25   25   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     R    19_D     R    19_D     25   26   49      6   22   24   24   24   25   25   27   32   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     V    20_D     V    20_D     25   26   49      9   22   24   24   24   25   25   26   31   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     F    21_D     F    21_D     25   26   49     13   22   24   24   24   25   25   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     R    22_D     R    22_D     25   26   49     13   22   24   24   24   25   25   27   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     S    23_D     S    23_D     25   26   49      3   21   24   24   24   25   25   26   31   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     Q    24_D     Q    24_D     25   26   49     13   22   24   24   24   25   25   26   27   34   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     R    25_D     R    25_D     25   26   49      4   22   24   24   24   25   25   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     I    26_D     I    26_D     25   26   49      4    6    9   17   24   25   25   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     D    27_D     D    27_D     13   26   49      4    7   16   22   24   24   24   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     A    28_D     A    28_D     22   25   49      4    9   16   22   24   24   24   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     N    29_D     N    29_D     22   25   49     11   19   21   22   24   24   24   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     N    30_D     N    30_D     22   25   49      8   19   21   22   24   24   24   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     V    31_D     V    31_D     22   25   49     11   19   21   22   24   24   24   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     E    32_D     E    32_D     22   25   49     11   19   21   22   24   24   24   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     L    33_D     L    33_D     22   25   49     11   19   21   22   24   24   24   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     I    34_D     I    34_D     22   25   49     11   19   21   22   24   24   24   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     K    35_D     K    35_D     22   25   49     11   19   21   22   24   24   24   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     F    36_D     F    36_D     22   25   49     13   19   21   22   24   24   24   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     N    37_D     N    37_D     22   25   49     13   19   21   22   24   24   24   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     I    38_D     I    38_D     22   25   49     13   19   21   22   24   24   24   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     R    39_D     R    39_D     22   25   49     13   19   21   22   24   24   24   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     V    40_D     V    40_D     22   25   49     13   19   21   22   24   24   24   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     L    41_D     L    41_D     22   25   49     13   19   21   22   24   24   24   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     D    42_D     D    42_D     22   25   49     13   19   21   22   24   24   24   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     W    43_D     W    43_D     22   25   49     13   19   21   22   24   24   24   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     I    44_D     I    44_D     22   25   49     13   19   21   22   24   24   24   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     M    45_D     M    45_D     22   25   49     13   19   21   22   24   24   24   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     A    46_D     A    46_D     22   25   49     13   19   21   22   24   24   24   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     E    47_D     E    47_D     22   25   49     13   19   21   22   24   24   24   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     A    48_D     A    48_D     22   25   49     12   19   21   22   24   24   24   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     D    49_D     D    49_D     22   25   49     13   18   21   22   24   24   24   31   34   38   43   45   46   47   48   49   51   52   54   54 
LCS_GDT     N    50_D     N    50_D      3   24   49      3    3    3    5    7   12   12   16   24   33   38   41   45   47   48   49   50   52   54   54 
LCS_GDT     D    51_D     D    51_D      5    8   49      3    4    6    9   12   14   16   18   20   23   25   30   36   40   45   49   50   51   52   54 
LCS_GDT     L    52_D     L    52_D      5    8   46      4    4    6    9   12   13   16   18   21   23   25   27   35   44   48   49   50   52   54   54 
LCS_GDT     C    53_D     C    53_D      5    8   40      4    4    6    9   12   13   16   19   21   24   25   27   29   31   35   46   50   51   52   54 
LCS_GDT     Y    54_D     Y    54_D      5    8   33      4    4    6    9   12   13   16   19   21   24   25   27   29   31   32   36   37   39   46   54 
LCS_GDT     F    55_D     F    55_D      5    8   33      4    4    6    9   12   13   16   19   21   24   25   27   29   31   32   36   37   39   40   43 
LCS_GDT     I    56_D     I    56_D      3    8   33      3    4    5    5    9   13   16   18   21   24   25   27   29   31   32   36   37   39   40   43 
LCS_GDT     G    57_D     G    57_D      3    8   33      3    4    5    9   12   13   16   19   21   24   25   27   29   31   32   36   37   39   40   43 
LCS_GDT     T    58_D     T    58_D      3    8   33      3    4    6    9   12   13   16   19   21   24   25   27   29   31   32   36   37   39   40   43 
LCS_GDT     H    59_D     H    59_D      6    6   33      3    6    6    7    8    8   10   15   17   21   23   27   29   30   32   36   37   39   40   43 
LCS_GDT     D    60_D     D    60_D      6    6   33      3    6    6    9   12   13   16   19   21   24   25   27   29   31   32   36   37   39   40   43 
LCS_GDT     K    61_D     K    61_D      6    6   33      3    6    6    8   12   13   16   19   21   24   25   27   29   31   32   36   44   49   52   54 
LCS_GDT     C    62_D     C    62_D      6   16   33      3    6    6    9   12   13   16   19   21   24   25   27   29   31   32   36   47   51   52   54 
LCS_GDT     E    63_D     E    63_D      8   16   33      3   10   14   14   15   16   17   19   21   24   25   27   29   31   32   36   37   40   49   54 
LCS_GDT     N    64_D     N    64_D      9   16   33      3    6    7   10   14   16   17   19   22   25   25   27   29   31   32   36   37   39   40   43 
LCS_GDT     P    65_D     P    65_D     13   16   33     10   12   14   14   15   16   17   19   22   25   25   27   29   31   32   36   37   39   40   44 
LCS_GDT     K    66_D     K    66_D     13   16   33     10   12   14   14   19   21   21   22   24   25   25   27   29   31   32   36   37   39   40   43 
LCS_GDT     E    67_D     E    67_D     13   16   33     10   12   14   14   15   16   17   19   21   24   25   27   29   31   32   36   37   39   40   43 
LCS_GDT     Q    68_D     Q    68_D     13   16   33     10   12   14   14   15   16   17   19   21   24   25   27   29   31   32   36   37   39   40   43 
LCS_GDT     W    69_D     W    69_D     13   16   33     10   12   14   14   15   16   17   19   21   24   25   27   29   31   32   36   37   39   40   43 
LCS_GDT     V    70_D     V    70_D     13   16   33      8   12   14   14   15   16   17   19   21   24   25   27   29   31   32   36   37   39   40   43 
LCS_GDT     A    71_D     A    71_D     13   16   33     10   12   14   14   15   16   17   19   21   24   25   27   29   31   32   36   37   39   40   43 
LCS_GDT     N    72_D     N    72_D     13   16   33     10   12   14   14   15   16   17   19   21   24   25   27   29   31   32   36   37   39   40   43 
LCS_GDT     Y    73_D     Y    73_D     13   16   33     10   12   14   14   15   16   17   19   21   24   25   27   29   31   32   36   37   39   40   43 
LCS_GDT     Q    74_D     Q    74_D     13   16   33     10   12   14   14   15   16   17   19   21   24   25   27   29   31   32   36   37   39   40   43 
LCS_GDT     N    75_D     N    75_D     13   16   33     10   12   14   14   15   16   17   19   19   24   24   26   29   31   32   36   37   39   40   43 
LCS_GDT     L    76_D     L    76_D     13   16   33      4   12   14   14   15   16   17   19   21   24   25   26   29   31   32   36   37   39   40   43 
LCS_GDT     N    77_D     N    77_D     13   16   33      4    8    9   13   15   16   16   19   21   24   25   26   29   31   32   36   37   39   40   42 
LCS_GDT     N    78_D     N    78_D      3   16   33      3    4    5    6   12   15   17   19   19   20   24   26   29   31   32   36   37   39   40   43 
LCS_GDT     V    79_D     V    79_D      4    5   33      3    4    5    6    6    7   10   12   15   19   25   26   29   31   32   36   37   39   40   43 
LCS_GDT     V    80_D     V    80_D      4    5   32      3    4    4    4    6    7   10   12   14   19   22   26   28   31   32   36   37   39   40   43 
LCS_GDT     F    81_D     F    81_D      4    5   30      3    4    4    4    6    7    8   10   12   15   19   23   26   29   32   34   37   39   40   43 
LCS_GDT     T    82_D     T    82_D      4    5   24      3    4    4    4    6    7    8   10   12   14   16   19   22   28   32   34   36   39   40   43 
LCS_GDT     N    83_D     N    83_D      4    5   19      3    4    4    4    4    5    7    9   10   12   15   17   17   19   20   22   23   27   33   37 
LCS_GDT     K    84_D     K    84_D      4    5   17      3    4    4    4    4    7    7    9   11   12   15   17   17   20   24   25   31   35   37   40 
LCS_GDT     E    85_D     E    85_D      3    4   17      3    3    3    4    4    7    7    9   10   14   16   17   19   22   24   25   30   34   37   39 
LCS_GDT     L    86_D     L    86_D      4    6   17      3    3    4    4    6    7    8   11   13   16   16   19   21   23   25   28   29   34   37   39 
LCS_GDT     E    87_D     E    87_D      4    6   17      3    3    4    4    6    7    9   11   14   16   17   19   21   23   25   28   31   33   36   38 
LCS_GDT     D    88_D     D    88_D      4    6   17      3    3    5    6    6    7    9   11   14   16   17   19   21   24   25   28   31   34   36   38 
LCS_GDT     I    89_D     I    89_D      4    6   17      3    3    4    4    6    7    9   11   14   16   17   19   21   24   25   28   32   34   36   38 
LCS_GDT     Y    90_D     Y    90_D      3    6   17      3    3    3    4    6    7    8    9   10   14   17   18   20   21   23   27   31   33   36   38 
LCS_GDT     D    91_D     D    91_D      6    7   17      4    6    6    6    7    7    9   10   14   16   17   19   20   21   23   27   31   33   36   38 
LCS_GDT     L    92_D     L    92_D      6    7   17      4    6    6    6    7    7    7    8    9   10   14   16   17   19   21   24   25   28   30   33 
LCS_GDT     S    93_D     S    93_D      6    7   17      4    6    6    6    7    7    7    8   10   12   14   16   17   19   19   22   25   26   26   29 
LCS_GDT     N    94_D     N    94_D      6    7   19      4    6    6    6    7    7    8    9   11   14   15   17   20   21   23   25   28   33   36   38 
LCS_GDT     K    95_D     K    95_D      6    7   20      3    6    6    6    7    7    9   11   14   16   17   19   23   26   28   31   32   35   36   38 
LCS_GDT     E    96_D     E    96_D      6    7   23      3    6    6    6    7    7    9   11   14   16   17   19   21   26   28   31   32   35   36   38 
LCS_GDT     E    97_D     E    97_D      3    7   28      3    3    3    4    7    7    9   11   14   16   17   19   20   22   25   29   31   34   41   45 
LCS_GDT     T    98_D     T    98_D      4    4   28      3    5    6    7   12   12   14   17   19   22   24   27   28   30   31   31   38   42   48   53 
LCS_GDT     K    99_D     K    99_D      4    4   28      3    5    7    8   12   12   14   17   19   22   24   27   28   30   31   31   38   42   48   53 
LCS_GDT     E   100_D     E   100_D      4    4   28      3    5    7    8   12   12   14   17   19   22   24   27   28   30   31   34   38   42   48   53 
LCS_GDT     V   101_D     V   101_D      4    4   28      3    4    5    8   12   12   14   17   22   23   24   27   28   30   31   34   38   42   48   53 
LCS_GDT     L   102_D     L   102_D     20   24   28      8   13   18   20   21   23   23   23   24   25   25   27   28   30   31   31   32   35   37   45 
LCS_GDT     K   103_D     K   103_D     20   24   28     10   16   19   20   21   23   23   23   24   25   25   27   28   30   31   31   32   37   48   53 
LCS_GDT     K   104_D     K   104_D     20   24   28     10   16   19   20   21   23   23   23   24   25   25   27   28   30   31   31   32   37   48   53 
LCS_GDT     F   105_D     F   105_D     20   24   28     10   16   19   20   21   23   23   23   24   25   25   27   28   30   31   31   32   37   48   53 
LCS_GDT     K   106_D     K   106_D     20   24   28     10   16   19   20   21   23   23   23   24   25   25   27   28   30   31   31   36   42   48   53 
LCS_GDT     E   107_D     E   107_D     20   24   28     10   16   19   20   21   23   23   23   24   25   25   27   28   30   31   34   38   50   54   54 
LCS_GDT     K   108_D     K   108_D     20   24   28     10   16   19   20   21   23   23   23   24   25   25   27   28   30   31   34   51   52   54   54 
LCS_GDT     V   109_D     V   109_D     20   24   28     10   16   19   20   21   23   23   23   24   25   25   27   28   30   31   31   36   42   48   53 
LCS_GDT     N   110_D     N   110_D     20   24   28     10   16   19   20   21   23   23   23   24   25   25   27   28   30   31   31   33   42   48   53 
LCS_GDT     Q   111_D     Q   111_D     20   24   28     10   16   19   20   21   23   23   23   24   25   25   27   28   30   36   43   51   52   54   54 
LCS_GDT     F   112_D     F   112_D     20   24   28     10   15   19   20   21   23   23   23   24   25   25   27   28   30   36   43   51   52   54   54 
LCS_GDT     Y   113_D     Y   113_D     20   24   28     10   16   19   20   21   23   23   23   24   25   25   27   28   30   31   31   34   37   48   53 
LCS_GDT     R   114_D     R   114_D     20   24   28      8   16   19   20   21   23   23   23   24   25   25   27   28   30   31   31   37   44   48   54 
LCS_GDT     H   115_D     H   115_D     20   24   28      7   16   19   20   21   23   23   23   24   25   25   28   34   39   42   43   46   48   51   54 
LCS_GDT     A   116_D     A   116_D     20   24   28      7   16   19   20   21   23   23   23   24   25   25   27   28   30   32   36   43   47   50   54 
LCS_GDT     F   117_D     F   117_D     20   24   28      7   16   19   20   21   23   23   23   24   25   25   27   28   30   31   34   35   38   46   54 
LCS_GDT     D   118_D     D   118_D     20   24   28      7   16   19   20   21   23   23   23   24   25   25   27   28   30   31   34   40   45   47   52 
LCS_GDT     I   119_D     I   119_D     20   24   28      7   16   19   20   21   23   23   23   24   25   25   27   28   30   32   34   40   45   47   52 
LCS_GDT     I   120_D     I   120_D     20   24   28      5   15   19   20   21   23   23   23   24   25   25   27   28   30   31   31   32   35   36   39 
LCS_GDT     N   121_D     N   121_D     20   24   28      6   15   19   20   21   23   23   23   24   25   25   27   28   30   31   31   32   35   36   39 
LCS_GDT     K   122_D     K   122_D     20   24   28      5   13   17   20   21   23   23   23   24   25   25   26   28   30   31   31   32   35   36   38 
LCS_GDT     Y   123_D     Y   123_D     16   24   28      3    7   13   17   21   23   23   23   24   24   24   26   28   30   31   31   32   33   35   38 
LCS_GDT     G   124_D     G   124_D      4   24   28      3    4    4    5    9   23   23   23   24   25   25   26   28   30   31   31   32   35   36   39 
LCS_GDT     L   125_D     L   125_D      3   24   28      3    3    7    9   13   17   19   23   24   24   24   25   26   26   27   29   31   32   34   36 
LCS_AVERAGE  LCS_A:  19.01  (  12.46   15.02   29.55 )

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     13     22     24     24     24     25     25     31     34     38     43     45     46     47     48     49     51     52     54     54 
GDT PERCENT_AT  10.48  17.74  19.35  19.35  19.35  20.16  20.16  25.00  27.42  30.65  34.68  36.29  37.10  37.90  38.71  39.52  41.13  41.94  43.55  43.55
GDT RMS_LOCAL    0.23   0.61   0.66   0.66   0.66   0.98   0.98   3.14   3.22   3.67   4.09   4.16   4.26   4.39   4.50   4.87   5.22   5.37   5.82   5.82
GDT RMS_ALL_AT  27.49  27.89  27.82  27.82  27.82  27.66  27.66  22.50  22.48  22.66  22.76  22.68  22.75  22.82  22.86  22.32  22.88  22.61  22.42  22.42

# Checking swapping
#   possible swapping detected:  D     2_D      D     2_D
#   possible swapping detected:  F    10_D      F    10_D
#   possible swapping detected:  F    14_D      F    14_D
#   possible swapping detected:  E    32_D      E    32_D
#   possible swapping detected:  D    49_D      D    49_D
#   possible swapping detected:  Y    54_D      Y    54_D
#   possible swapping detected:  F    55_D      F    55_D
#   possible swapping detected:  E    85_D      E    85_D
#   possible swapping detected:  E    87_D      E    87_D
#   possible swapping detected:  D    91_D      D    91_D
#   possible swapping detected:  E   100_D      E   100_D
#   possible swapping detected:  F   105_D      F   105_D
#   possible swapping detected:  Y   113_D      Y   113_D
#   possible swapping detected:  D   118_D      D   118_D

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     2_D      D     2_D    11.718     0    0.033   0.422    12.598    0.000    0.179
LGA    K     3_D      K     3_D    11.410     0    0.022   0.453    17.807    0.238    0.106
LGA    E     4_D      E     4_D     7.969     0    0.044   0.156     9.236    7.976    7.513
LGA    I     5_D      I     5_D     7.780     0    0.025   0.076     9.091    6.548    4.762
LGA    A     6_D      A     6_D     9.593     0    0.000   0.000    10.775    1.905    1.524
LGA    K     7_D      K     7_D     7.792     0    0.018   0.687     8.426   10.595    8.413
LGA    E     8_D      E     8_D     5.301     0    0.072   0.927     8.126   24.048   19.471
LGA    I     9_D      I     9_D     7.121     0    0.043   0.673    10.531   11.667    7.202
LGA    F    10_D      F    10_D     7.296     0    0.015   0.075     9.497   13.571    7.619
LGA    N    11_D      N    11_D     4.960     0    0.033   0.884     6.298   31.786   28.512
LGA    M    12_D      M    12_D     4.677     0    0.037   0.807     5.313   30.119   31.548
LGA    M    13_D      M    13_D     6.213     0    0.031   0.786    10.639   22.738   13.274
LGA    F    14_D      F    14_D     4.347     0    0.087   0.944     5.991   38.810   35.671
LGA    M    15_D      M    15_D     4.106     0    0.038   1.328     7.490   38.690   31.190
LGA    L    16_D      L    16_D     4.922     0    0.068   1.443    10.003   31.548   21.488
LGA    L    17_D      L    17_D     4.435     0    0.043   0.321     6.257   40.238   32.798
LGA    W    18_D      W    18_D     4.125     0    0.020   0.316    10.074   35.833   16.293
LGA    R    19_D      R    19_D     6.067     0    0.064   1.269     7.963   18.929   17.576
LGA    V    20_D      V    20_D     6.218     0    0.068   1.350     8.700   21.548   16.054
LGA    F    21_D      F    21_D     3.934     0    0.034   1.067     7.298   38.690   29.870
LGA    R    22_D      R    22_D     5.687     0    0.067   0.668    13.037   20.833    8.918
LGA    S    23_D      S    23_D     6.985     0    0.033   0.088     7.982   11.905   10.794
LGA    Q    24_D      Q    24_D     6.550     0    0.270   1.267    10.371   19.524   12.434
LGA    R    25_D      R    25_D     5.234     0    0.144   1.091    10.213   29.048   17.273
LGA    I    26_D      I    26_D     1.834     0    0.165   0.723     3.340   73.214   70.238
LGA    D    27_D      D    27_D     0.897     0    0.039   1.262     3.111   81.548   78.750
LGA    A    28_D      A    28_D     2.085     0    0.693   0.635     4.360   60.119   61.048
LGA    N    29_D      N    29_D     2.744     0    0.120   0.825     4.184   59.048   52.917
LGA    N    30_D      N    30_D     2.544     0    0.032   1.115     4.309   57.143   54.643
LGA    V    31_D      V    31_D     2.598     0    0.045   1.335     3.773   59.048   54.286
LGA    E    32_D      E    32_D     1.912     0    0.043   1.034     2.653   70.833   71.164
LGA    L    33_D      L    33_D     2.164     0    0.005   0.100     3.444   64.762   61.012
LGA    I    34_D      I    34_D     2.744     0    0.017   0.159     3.826   57.143   51.905
LGA    K    35_D      K    35_D     2.438     0    0.018   0.755     5.390   64.762   54.286
LGA    F    36_D      F    36_D     1.773     0    0.022   0.109     2.490   72.857   69.177
LGA    N    37_D      N    37_D     2.327     0    0.086   0.154     2.579   62.857   65.833
LGA    I    38_D      I    38_D     2.596     0    0.050   0.645     6.229   64.881   53.393
LGA    R    39_D      R    39_D     1.310     0    0.039   1.395     5.103   75.000   63.636
LGA    V    40_D      V    40_D     2.329     0    0.000   1.332     4.495   66.786   57.823
LGA    L    41_D      L    41_D     2.325     0    0.043   1.171     5.610   68.810   60.655
LGA    D    42_D      D    42_D     1.403     0    0.027   0.218     2.591   79.286   72.083
LGA    W    43_D      W    43_D     2.126     0    0.020   0.191     4.684   64.881   49.422
LGA    I    44_D      I    44_D     3.069     0    0.039   0.678     6.796   55.357   46.429
LGA    M    45_D      M    45_D     1.748     0    0.020   0.884     4.227   68.810   67.440
LGA    A    46_D      A    46_D     2.305     0    0.009   0.009     3.121   61.190   61.905
LGA    E    47_D      E    47_D     3.548     0    0.088   0.129     4.012   45.000   43.386
LGA    A    48_D      A    48_D     3.409     0    0.339   0.344     3.516   48.333   50.095
LGA    D    49_D      D    49_D     3.293     0    0.367   1.116     5.907   38.214   33.155
LGA    N    50_D      N    50_D     8.292     0    0.562   0.645    10.827    6.548    3.690
LGA    D    51_D      D    51_D    13.783     0    0.586   0.815    18.671    0.000    0.000
LGA    L    52_D      L    52_D    14.073     0    0.108   1.408    17.690    0.000    0.000
LGA    C    53_D      C    53_D    17.448     0    0.151   0.616    21.689    0.000    0.000
LGA    Y    54_D      Y    54_D    21.130     0    0.243   1.247    29.800    0.000    0.000
LGA    F    55_D      F    55_D    22.312     0    0.212   1.222    24.002    0.000    0.000
LGA    I    56_D      I    56_D    26.573     0    0.242   0.366    27.602    0.000    0.000
LGA    G    57_D      G    57_D    30.702     0    0.346   0.346    30.702    0.000    0.000
LGA    T    58_D      T    58_D    25.379     0    0.030   1.138    27.033    0.000    0.000
LGA    H    59_D      H    59_D    23.970     0    0.329   0.293    24.773    0.000    0.000
LGA    D    60_D      D    60_D    27.499     0    0.256   1.107    31.988    0.000    0.000
LGA    K    61_D      K    61_D    21.427     0    0.331   1.029    23.446    0.000    0.000
LGA    C    62_D      C    62_D    19.709     0    0.055   0.824    24.297    0.000    0.000
LGA    E    63_D      E    63_D    24.206     0    0.605   1.279    26.140    0.000    0.000
LGA    N    64_D      N    64_D    27.294     0    0.222   0.814    31.948    0.000    0.000
LGA    P    65_D      P    65_D    25.093     0    0.202   0.243    26.659    0.000    0.000
LGA    K    66_D      K    66_D    30.402     0    0.013   0.994    41.275    0.000    0.000
LGA    E    67_D      E    67_D    32.447     0    0.053   1.306    37.596    0.000    0.000
LGA    Q    68_D      Q    68_D    26.799     0    0.021   1.130    28.474    0.000    0.000
LGA    W    69_D      W    69_D    25.860     0    0.047   1.174    27.663    0.000    0.000
LGA    V    70_D      V    70_D    31.697     0    0.035   1.335    35.999    0.000    0.000
LGA    A    71_D      A    71_D    31.911     0    0.007   0.011    31.911    0.000    0.000
LGA    N    72_D      N    72_D    26.295     0    0.027   0.087    27.928    0.000    0.000
LGA    Y    73_D      Y    73_D    27.859     0    0.019   1.282    30.382    0.000    0.000
LGA    Q    74_D      Q    74_D    34.237     0    0.069   1.008    41.974    0.000    0.000
LGA    N    75_D      N    75_D    32.894     0    0.136   0.235    34.661    0.000    0.000
LGA    L    76_D      L    76_D    29.369     0    0.245   0.911    31.317    0.000    0.000
LGA    N    77_D      N    77_D    34.608     0    0.326   0.934    37.231    0.000    0.000
LGA    N    78_D      N    78_D    37.199     0    0.631   1.071    40.244    0.000    0.000
LGA    V    79_D      V    79_D    39.725     0    0.256   1.237    41.631    0.000    0.000
LGA    V    80_D      V    80_D    37.543     0    0.015   1.345    40.379    0.000    0.000
LGA    F    81_D      F    81_D    40.666     0    0.532   0.566    44.263    0.000    0.000
LGA    T    82_D      T    82_D    46.967     0    0.650   0.560    48.276    0.000    0.000
LGA    N    83_D      N    83_D    47.585     0    0.269   0.901    52.349    0.000    0.000
LGA    K    84_D      K    84_D    49.680     0    0.613   0.935    53.391    0.000    0.000
LGA    E    85_D      E    85_D    46.408     0    0.597   0.654    50.634    0.000    0.000
LGA    L    86_D      L    86_D    41.127     0    0.638   0.959    43.097    0.000    0.000
LGA    E    87_D      E    87_D    43.839     0    0.618   0.912    51.076    0.000    0.000
LGA    D    88_D      D    88_D    42.782     0    0.389   0.435    48.081    0.000    0.000
LGA    I    89_D      I    89_D    36.055     0    0.209   1.368    38.823    0.000    0.000
LGA    Y    90_D      Y    90_D    35.592     0    0.565   1.116    39.146    0.000    0.000
LGA    D    91_D      D    91_D    39.372     0    0.584   1.256    41.143    0.000    0.000
LGA    L    92_D      L    92_D    39.174     0    0.026   1.218    44.917    0.000    0.000
LGA    S    93_D      S    93_D    33.102     0    0.060   0.058    35.459    0.000    0.000
LGA    N    94_D      N    94_D    30.833     0    0.013   1.124    32.083    0.000    0.000
LGA    K    95_D      K    95_D    34.247     0    0.609   1.037    45.020    0.000    0.000
LGA    E    96_D      E    96_D    30.978     0    0.598   1.189    33.294    0.000    0.000
LGA    E    97_D      E    97_D    23.898     0    0.605   0.474    26.290    0.000    0.000
LGA    T    98_D      T    98_D    24.805     0    0.565   1.362    28.813    0.000    0.000
LGA    K    99_D      K    99_D    23.980     0    0.221   0.807    27.236    0.000    0.000
LGA    E   100_D      E   100_D    22.523     0    0.595   1.271    24.797    0.000    0.000
LGA    V   101_D      V   101_D    21.042     0    0.630   1.184    22.441    0.000    0.000
LGA    L   102_D      L   102_D    25.929     0    0.629   1.386    32.164    0.000    0.000
LGA    K   103_D      K   103_D    23.591     0    0.009   0.459    24.923    0.000    0.000
LGA    K   104_D      K   104_D    21.424     0    0.023   0.535    27.572    0.000    0.000
LGA    F   105_D      F   105_D    21.123     0    0.010   1.339    23.333    0.000    0.000
LGA    K   106_D      K   106_D    19.993     0    0.024   0.644    21.820    0.000    0.000
LGA    E   107_D      E   107_D    16.618     0    0.014   0.131    18.533    0.000    0.000
LGA    K   108_D      K   108_D    15.434     0    0.028   1.083    18.676    0.000    0.000
LGA    V   109_D      V   109_D    15.967     0    0.016   1.345    19.699    0.000    0.000
LGA    N   110_D      N   110_D    14.778     0    0.025   0.041    17.908    0.000    0.000
LGA    Q   111_D      Q   111_D    11.266     0    0.041   0.145    12.521    0.000    0.000
LGA    F   112_D      F   112_D    11.168     0    0.016   1.433    12.286    0.000    0.000
LGA    Y   113_D      Y   113_D    13.357     0    0.046   1.015    20.664    0.000    0.000
LGA    R   114_D      R   114_D    12.002     0    0.020   0.343    12.638    0.000    0.000
LGA    H   115_D      H   115_D    10.641     0    0.043   1.170    12.384    0.000    5.381
LGA    A   116_D      A   116_D    12.315     0    0.039   0.045    14.908    0.000    0.000
LGA    F   117_D      F   117_D    15.782     0    0.039   0.660    19.331    0.000    0.000
LGA    D   118_D      D   118_D    15.953     0    0.035   1.098    18.590    0.000    0.000
LGA    I   119_D      I   119_D    16.912     0    0.004   0.121    20.227    0.000    0.000
LGA    I   120_D      I   120_D    20.502     0    0.027   0.721    23.883    0.000    0.000
LGA    N   121_D      N   121_D    23.079     0    0.091   0.100    25.881    0.000    0.000
LGA    K   122_D      K   122_D    24.725     0    0.083   0.621    28.010    0.000    0.000
LGA    Y   123_D      Y   123_D    27.464     0    0.133   1.282    29.433    0.000    0.000
LGA    G   124_D      G   124_D    27.219     0    0.075   0.075    29.387    0.000    0.000
LGA    L   125_D      L   125_D    30.510     0    0.209   1.451    32.023    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):    16.290         16.200                 16.512           16.397   14.470

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  124    4.0     31    3.14    25.403    23.021     0.956

LGA_LOCAL      RMSD:   3.143  Number of atoms:   31  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  22.502  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  16.290  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.829422 * X  +  -0.282890 * Y  +  -0.481698 * Z  + -12.453108
  Y_new =   0.105537 * X  +  -0.767414 * Y  +   0.632406 * Z  + -40.173889
  Z_new =  -0.548563 * X  +  -0.575368 * Y  +  -0.606655 * Z  +  63.500782 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.126562  0.580645 -2.382657   [DEG:    7.2514   33.2685 -136.5162 ]
ZXZ: -2.490651  2.222642 -2.380039   [DEG: -142.7038  127.3480 -136.3662 ]
 
# END of job
