
#######################################################
#                                                     #
#                        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:    53       2_D - 54_D        4.93    25.70
  LCS_AVERAGE:     37.37

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    47       2_D - 48_D        1.90    27.94
  LCS_AVERAGE:     24.20

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      95_D - 124_D       0.38    21.07
  LCS_AVERAGE:     13.96

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     21   47   53     10   18   29   37   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     K     3_D     K     3_D     21   47   53     12   20   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     E     4_D     E     4_D     21   47   53     13   20   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     I     5_D     I     5_D     21   47   53     13   20   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     A     6_D     A     6_D     21   47   53     13   20   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     K     7_D     K     7_D     21   47   53     13   20   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     E     8_D     E     8_D     21   47   53     13   20   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     I     9_D     I     9_D     21   47   53     13   20   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     F    10_D     F    10_D     21   47   53     13   20   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     N    11_D     N    11_D     21   47   53     13   20   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   53   56 
LCS_GDT     M    12_D     M    12_D     21   47   53     13   20   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   53   54   56 
LCS_GDT     M    13_D     M    13_D     21   47   53     13   20   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   56 
LCS_GDT     F    14_D     F    14_D     21   47   53      9   20   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     M    15_D     M    15_D     21   47   53     11   20   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   53   56 
LCS_GDT     L    16_D     L    16_D     21   47   53     13   20   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   54   56 
LCS_GDT     L    17_D     L    17_D     21   47   53     13   20   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     W    18_D     W    18_D     21   47   53      7   20   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     R    19_D     R    19_D     21   47   53      7   19   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   54 
LCS_GDT     V    20_D     V    20_D     21   47   53      7   19   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   54 
LCS_GDT     F    21_D     F    21_D     21   47   53     13   20   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     R    22_D     R    22_D     21   47   53      3   14   28   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     S    23_D     S    23_D     17   47   53      3    6   12   19   31   40   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     Q    24_D     Q    24_D     13   47   53      4    5   12   20   35   40   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     R    25_D     R    25_D     11   47   53      7   19   28   37   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     I    26_D     I    26_D      6   47   53      4    5   11   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     D    27_D     D    27_D      6   47   53      4    5   18   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     A    28_D     A    28_D      5   47   53      3    5    6   10   21   34   43   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     N    29_D     N    29_D      5   47   53      3    5    7   19   34   41   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     N    30_D     N    30_D     19   47   53     12   17   25   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     V    31_D     V    31_D     19   47   53     12   17   19   32   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     E    32_D     E    32_D     19   47   53     12   17   24   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   54 
LCS_GDT     L    33_D     L    33_D     19   47   53     12   20   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   54 
LCS_GDT     I    34_D     I    34_D     19   47   53     12   18   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     K    35_D     K    35_D     19   47   53     12   17   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   53   56 
LCS_GDT     F    36_D     F    36_D     19   47   53     12   17   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   54   56 
LCS_GDT     N    37_D     N    37_D     19   47   53     12   20   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   53   56 
LCS_GDT     I    38_D     I    38_D     19   47   53     12   18   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     R    39_D     R    39_D     19   47   53     12   17   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   53   54   56 
LCS_GDT     V    40_D     V    40_D     19   47   53     12   17   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   53   54   56 
LCS_GDT     L    41_D     L    41_D     19   47   53     12   20   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     D    42_D     D    42_D     19   47   53     11   20   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     W    43_D     W    43_D     19   47   53     11   17   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   53   54   56 
LCS_GDT     I    44_D     I    44_D     19   47   53     11   17   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   53   54   56 
LCS_GDT     M    45_D     M    45_D     19   47   53     11   20   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     A    46_D     A    46_D     19   47   53     10   18   29   38   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     E    47_D     E    47_D     19   47   53      8   17   20   31   41   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     A    48_D     A    48_D     19   47   53      9   17   19   26   37   43   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     D    49_D     D    49_D      3   25   53      3    3    3    4   27   37   44   46   48   48   48   49   49   49   51   51   51   52   52   52 
LCS_GDT     N    50_D     N    50_D      3   21   53      3    3    8   11   18   25   28   38   41   47   47   49   49   49   51   51   51   52   52   52 
LCS_GDT     D    51_D     D    51_D      3    4   53      3    3    3    4    4    7   10   16   26   29   36   40   48   49   51   51   51   52   52   52 
LCS_GDT     L    52_D     L    52_D      3    4   53      3    3    4    7   10   13   16   21   26   29   36   40   48   49   51   51   51   52   52   52 
LCS_GDT     C    53_D     C    53_D      3    4   53      3    3    4    6    8   11   14   15   21   25   30   32   34   42   45   50   50   52   52   52 
LCS_GDT     Y    54_D     Y    54_D      3    4   53      3    3    4    5    5    6    8   11   16   19   23   24   27   29   32   35   40   42   46   50 
LCS_GDT     F    55_D     F    55_D      4    5   19      3    4    4    4    5    7    9   13   17   19   23   24   26   28   30   33   35   39   42   44 
LCS_GDT     I    56_D     I    56_D      4    5   19      3    4    4    4    5    7    9   10   12   15   17   20   23   25   27   30   33   36   36   38 
LCS_GDT     G    57_D     G    57_D      4    5   19      3    4    4    4    5    7    9   10   12   13   16   18   20   22   23   25   29   32   33   34 
LCS_GDT     T    58_D     T    58_D      4    5   19      3    4    4    4    6    7    9   10   12   13   16   16   19   22   26   29   30   33   36   39 
LCS_GDT     H    59_D     H    59_D      6    7   19      3    4    6    7    7    8    9   10   13   15   20   22   26   29   31   33   37   39   42   44 
LCS_GDT     D    60_D     D    60_D      6    7   19      3    4    6    7    7    8    9   10   13   15   20   22   26   28   31   33   37   39   42   44 
LCS_GDT     K    61_D     K    61_D      6    7   19      3    4    6    7    7    8    9   12   14   19   22   25   27   30   34   38   40   42   46   50 
LCS_GDT     C    62_D     C    62_D      6    7   20      3    4    6    7    7    8   10   12   15   19   22   25   27   30   34   38   40   42   46   50 
LCS_GDT     E    63_D     E    63_D      6    7   20      3    4    6    7    7    8    9   11   15   16   19   24   25   28   32   34   40   42   43   45 
LCS_GDT     N    64_D     N    64_D      6    7   22      3    4    6    7    9   12   14   15   17   19   19   21   23   28   30   32   35   39   42   45 
LCS_GDT     P    65_D     P    65_D      4   17   22      3    4    5    7   10   12   14   18   18   19   19   22   26   28   30   34   36   39   44   48 
LCS_GDT     K    66_D     K    66_D     16   17   22     13   13   15   16   16   17   17   18   18   19   23   24   26   28   31   35   37   41   44   48 
LCS_GDT     E    67_D     E    67_D     16   17   22     13   13   15   16   16   17   17   18   18   19   23   24   26   28   30   32   35   41   44   48 
LCS_GDT     Q    68_D     Q    68_D     16   17   22     13   13   15   16   16   17   17   18   18   19   23   24   26   28   30   32   35   37   38   43 
LCS_GDT     W    69_D     W    69_D     16   17   22     13   13   15   16   16   17   17   18   18   19   23   24   26   28   32   35   37   41   44   48 
LCS_GDT     V    70_D     V    70_D     16   17   22     13   13   15   16   16   17   17   18   18   19   23   24   26   31   33   35   39   42   47   50 
LCS_GDT     A    71_D     A    71_D     16   17   22     13   13   15   16   16   17   17   18   18   19   23   24   26   28   30   32   35   38   44   48 
LCS_GDT     N    72_D     N    72_D     16   17   22     13   13   15   16   16   17   17   18   18   19   23   24   26   28   31   35   39   42   46   53 
LCS_GDT     Y    73_D     Y    73_D     16   17   22     13   13   15   16   16   17   17   18   18   23   28   35   37   43   44   46   50   53   54   56 
LCS_GDT     Q    74_D     Q    74_D     16   17   22     13   13   15   16   16   17   17   18   18   24   28   35   39   43   44   46   50   53   54   56 
LCS_GDT     N    75_D     N    75_D     16   17   22     13   13   15   16   16   17   17   18   18   19   23   24   26   28   30   32   36   41   51   56 
LCS_GDT     L    76_D     L    76_D     16   17   50     13   13   15   16   16   17   17   18   18   20   27   41   41   45   46   48   50   53   54   56 
LCS_GDT     N    77_D     N    77_D     16   17   50     13   13   15   16   16   17   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     N    78_D     N    78_D     16   17   50     13   13   15   16   16   17   17   18   18   19   19   22   25   29   40   47   50   53   54   56 
LCS_GDT     V    79_D     V    79_D     16   17   50      3    8   15   16   16   17   17   18   18   19   19   22   25   27   40   41   41   47   53   56 
LCS_GDT     V    80_D     V    80_D     16   17   50      3    9   15   16   16   17   17   18   19   27   29   33   41   44   45   47   50   53   54   56 
LCS_GDT     F    81_D     F    81_D     16   17   50      3    7   13   16   16   17   17   18   32   32   34   37   39   44   45   47   50   53   54   56 
LCS_GDT     T    82_D     T    82_D      4   17   50      3    4    5   10   13   15   16   24   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     N    83_D     N    83_D      4    5   50      3    4    4    7   12   19   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     K    84_D     K    84_D      4    5   50      3    4    4    8   15   29   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     E    85_D     E    85_D      3    4   50      3    3    4    4   11   15   26   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     L    86_D     L    86_D      4    6   50      3    3    4    7   11   12   15   19   22   26   36   41   41   45   46   48   50   53   54   56 
LCS_GDT     E    87_D     E    87_D      4    6   50      3    5    6    7   11   12   13   15   17   23   25   28   35   39   44   47   49   51   54   56 
LCS_GDT     D    88_D     D    88_D      4    6   50      3    5    6    7   11   12   14   16   18   24   31   36   39   43   44   48   50   52   54   56 
LCS_GDT     I    89_D     I    89_D      4    6   50      3    5    6    7   11   17   29   33   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     Y    90_D     Y    90_D      3    6   50      3    3    3    4    7   11   13   15   18   23   25   35   39   45   46   48   50   53   54   56 
LCS_GDT     D    91_D     D    91_D      3    6   50      3    3    4    4    7    9   12   15   18   23   24   28   31   39   43   48   50   53   54   56 
LCS_GDT     L    92_D     L    92_D      3    4   50      3    3    4    4    5    7   11   15   22   26   35   41   41   45   46   48   50   53   54   56 
LCS_GDT     S    93_D     S    93_D      4    4   50      3    4    4    4    5    7   11   14   22   26   35   41   41   45   46   48   50   53   54   56 
LCS_GDT     N    94_D     N    94_D      4   32   50      3    5   10   11   14   26   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     K    95_D     K    95_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     E    96_D     E    96_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     E    97_D     E    97_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     T    98_D     T    98_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     K    99_D     K    99_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     E   100_D     E   100_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     V   101_D     V   101_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     L   102_D     L   102_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     K   103_D     K   103_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     K   104_D     K   104_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     F   105_D     F   105_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     K   106_D     K   106_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     E   107_D     E   107_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     K   108_D     K   108_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     V   109_D     V   109_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     N   110_D     N   110_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     Q   111_D     Q   111_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     F   112_D     F   112_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     Y   113_D     Y   113_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     R   114_D     R   114_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     H   115_D     H   115_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     A   116_D     A   116_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     F   117_D     F   117_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     D   118_D     D   118_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     I   119_D     I   119_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     I   120_D     I   120_D     30   32   50     23   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     N   121_D     N   121_D     30   32   50     11   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     K   122_D     K   122_D     30   32   50     25   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     Y   123_D     Y   123_D     30   32   50     24   30   30   30   30   30   31   35   36   37   37   41   41   44   46   48   50   53   54   56 
LCS_GDT     G   124_D     G   124_D     30   32   50     23   30   30   30   30   30   31   35   36   37   37   41   41   45   46   48   50   53   54   56 
LCS_GDT     L   125_D     L   125_D      3   32   50      3    3    3    3    3    4   10   13   17   34   34   39   40   44   45   48   50   51   54   56 
LCS_AVERAGE  LCS_A:  25.18  (  13.96   24.20   37.37 )

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     25     30     30     38     41     43     44     46     48     48     48     49     49     49     51     51     51     53     54     56 
GDT PERCENT_AT  20.16  24.19  24.19  30.65  33.06  34.68  35.48  37.10  38.71  38.71  38.71  39.52  39.52  39.52  41.13  41.13  41.13  42.74  43.55  45.16
GDT RMS_LOCAL    0.23   0.38   0.38   1.24   1.35   1.53   1.61   1.80   2.03   2.03   2.03   2.41   2.41   2.41   3.42   3.42   3.42   5.53   5.33   5.57
GDT RMS_ALL_AT  20.92  21.07  21.07  28.19  28.20  28.00  27.95  27.93  27.78  27.78  27.78  27.46  27.46  27.46  26.82  26.82  26.82  20.19  20.27  20.32

# Checking swapping
#   possible swapping detected:  D     2_D      D     2_D
#   possible swapping detected:  E     4_D      E     4_D
#   possible swapping detected:  F    10_D      F    10_D
#   possible swapping detected:  Y    54_D      Y    54_D
#   possible swapping detected:  F    55_D      F    55_D
#   possible swapping detected:  D    60_D      D    60_D
#   possible swapping detected:  E    85_D      E    85_D
#   possible swapping detected:  E    87_D      E    87_D
#   possible swapping detected:  D    88_D      D    88_D
#   possible swapping detected:  Y    90_D      Y    90_D
#   possible swapping detected:  D    91_D      D    91_D
#   possible swapping detected:  E    97_D      E    97_D
#   possible swapping detected:  F   105_D      F   105_D
#   possible swapping detected:  E   107_D      E   107_D
#   possible swapping detected:  Y   113_D      Y   113_D
#   possible swapping detected:  D   118_D      D   118_D
#   possible swapping detected:  Y   123_D      Y   123_D

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     2_D      D     2_D     1.735     0    0.175   0.789     3.116   77.143   69.167
LGA    K     3_D      K     3_D     1.030     0    0.000   0.946     5.850   83.690   61.376
LGA    E     4_D      E     4_D     1.501     0    0.018   1.137     7.110   79.286   52.857
LGA    I     5_D      I     5_D     1.344     0    0.014   0.108     2.173   81.429   76.131
LGA    A     6_D      A     6_D     0.894     0    0.020   0.026     1.105   90.476   88.667
LGA    K     7_D      K     7_D     1.506     0    0.011   0.973     6.116   75.000   53.862
LGA    E     8_D      E     8_D     1.705     0    0.060   0.133     2.953   77.143   68.624
LGA    I     9_D      I     9_D     0.994     0    0.012   0.076     1.700   88.214   84.881
LGA    F    10_D      F    10_D     1.037     0    0.039   0.097     1.561   83.690   80.693
LGA    N    11_D      N    11_D     1.653     0    0.011   0.875     2.157   75.000   73.988
LGA    M    12_D      M    12_D     1.467     0    0.038   0.898     4.438   81.429   70.714
LGA    M    13_D      M    13_D     0.771     0    0.000   0.205     1.469   88.214   88.214
LGA    F    14_D      F    14_D     0.587     0    0.094   1.277     7.367   90.476   57.403
LGA    M    15_D      M    15_D     0.961     0    0.063   1.220     5.143   90.476   75.417
LGA    L    16_D      L    16_D     0.768     0    0.084   1.255     3.084   90.476   81.071
LGA    L    17_D      L    17_D     0.753     0    0.015   0.233     1.600   95.238   90.655
LGA    W    18_D      W    18_D     0.256     0    0.003   0.251     3.217   97.619   76.293
LGA    R    19_D      R    19_D     0.754     0    0.021   1.277     5.803   88.333   65.498
LGA    V    20_D      V    20_D     1.108     0    0.077   1.339     3.136   88.214   77.347
LGA    F    21_D      F    21_D     0.800     0    0.154   0.815     5.109   88.214   67.792
LGA    R    22_D      R    22_D     1.946     0    0.036   1.225     7.245   63.690   51.385
LGA    S    23_D      S    23_D     4.167     0    0.082   0.170     5.170   38.929   35.556
LGA    Q    24_D      Q    24_D     3.786     0    0.212   0.928     5.775   55.833   45.079
LGA    R    25_D      R    25_D     2.258     0    0.088   0.731     4.242   69.048   57.143
LGA    I    26_D      I    26_D     1.718     0    0.140   0.226     3.413   75.000   67.083
LGA    D    27_D      D    27_D     2.146     0    0.245   0.843     4.364   64.881   56.845
LGA    A    28_D      A    28_D     4.582     0    0.692   0.632     6.681   29.881   28.190
LGA    N    29_D      N    29_D     3.576     0    0.039   0.825     8.006   48.452   32.024
LGA    N    30_D      N    30_D     2.033     0    0.388   0.480     3.802   68.810   59.583
LGA    V    31_D      V    31_D     2.801     0    0.027   1.331     6.056   60.952   52.721
LGA    E    32_D      E    32_D     2.016     0    0.014   0.774     2.188   73.095   72.116
LGA    L    33_D      L    33_D     0.268     0    0.011   0.072     1.433   97.619   92.976
LGA    I    34_D      I    34_D     1.279     0    0.000   0.110     2.530   81.429   74.167
LGA    K    35_D      K    35_D     1.938     0    0.012   0.611     3.746   72.857   59.471
LGA    F    36_D      F    36_D     1.530     0    0.037   0.058     2.747   79.286   70.866
LGA    N    37_D      N    37_D     0.471     0    0.057   0.099     2.144   97.619   85.298
LGA    I    38_D      I    38_D     1.064     0    0.020   0.126     2.152   83.690   77.262
LGA    R    39_D      R    39_D     1.507     0    0.023   0.974     6.291   79.286   58.658
LGA    V    40_D      V    40_D     1.177     0    0.021   1.333     4.183   83.690   76.395
LGA    L    41_D      L    41_D     0.704     0    0.017   1.149     3.615   90.476   83.452
LGA    D    42_D      D    42_D     0.517     0    0.020   0.260     2.080   97.619   86.429
LGA    W    43_D      W    43_D     1.022     0    0.021   0.638     2.650   83.690   78.061
LGA    I    44_D      I    44_D     1.633     0    0.019   0.044     2.209   72.976   71.905
LGA    M    45_D      M    45_D     1.481     0    0.073   1.219     3.401   79.286   76.488
LGA    A    46_D      A    46_D     0.848     0    0.110   0.123     1.537   83.810   85.143
LGA    E    47_D      E    47_D     3.202     0    0.187   0.229     4.062   48.810   46.561
LGA    A    48_D      A    48_D     3.848     0    0.578   0.578     4.302   41.905   42.190
LGA    D    49_D      D    49_D     5.633     0    0.626   0.970     8.312   15.595   13.036
LGA    N    50_D      N    50_D    10.238     0    0.216   0.240    13.503    1.190    1.071
LGA    D    51_D      D    51_D    14.333     0    0.598   0.599    17.047    0.000    0.000
LGA    L    52_D      L    52_D    14.546     0    0.632   1.297    16.761    0.000    0.000
LGA    C    53_D      C    53_D    19.569     0    0.577   0.850    22.729    0.000    0.000
LGA    Y    54_D      Y    54_D    26.476     0    0.158   1.383    33.392    0.000    0.000
LGA    F    55_D      F    55_D    26.242     0    0.221   1.195    28.504    0.000    0.000
LGA    I    56_D      I    56_D    26.005     0    0.309   1.107    27.013    0.000    0.000
LGA    G    57_D      G    57_D    29.082     0    0.473   0.473    31.622    0.000    0.000
LGA    T    58_D      T    58_D    31.077     0    0.628   0.959    34.466    0.000    0.000
LGA    H    59_D      H    59_D    29.915     0    0.345   0.372    31.493    0.000    0.000
LGA    D    60_D      D    60_D    35.169     0    0.227   1.147    39.334    0.000    0.000
LGA    K    61_D      K    61_D    30.318     0    0.210   1.351    31.632    0.000    0.000
LGA    C    62_D      C    62_D    29.280     0    0.162   0.645    33.386    0.000    0.000
LGA    E    63_D      E    63_D    33.494     0    0.599   1.296    34.707    0.000    0.000
LGA    N    64_D      N    64_D    34.167     0    0.229   0.777    36.315    0.000    0.000
LGA    P    65_D      P    65_D    34.528     0    0.666   0.572    37.458    0.000    0.000
LGA    K    66_D      K    66_D    36.376     0    0.594   1.252    38.199    0.000    0.000
LGA    E    67_D      E    67_D    41.434     0    0.059   0.974    47.713    0.000    0.000
LGA    Q    68_D      Q    68_D    36.797     0    0.044   1.381    38.120    0.000    0.000
LGA    W    69_D      W    69_D    33.946     0    0.037   1.646    36.125    0.000    0.000
LGA    V    70_D      V    70_D    40.619     0    0.025   1.338    44.534    0.000    0.000
LGA    A    71_D      A    71_D    41.962     0    0.040   0.042    42.517    0.000    0.000
LGA    N    72_D      N    72_D    35.597     0    0.019   0.113    37.528    0.000    0.000
LGA    Y    73_D      Y    73_D    36.746     0    0.005   1.312    41.192    0.000    0.000
LGA    Q    74_D      Q    74_D    43.120     0    0.049   1.397    50.062    0.000    0.000
LGA    N    75_D      N    75_D    40.722     0    0.047   0.211    43.645    0.000    0.000
LGA    L    76_D      L    76_D    35.523     0    0.024   1.017    37.169    0.000    0.000
LGA    N    77_D      N    77_D    40.792     0    0.140   0.824    45.768    0.000    0.000
LGA    N    78_D      N    78_D    43.749     0    0.089   0.111    48.318    0.000    0.000
LGA    V    79_D      V    79_D    38.209     0    0.186   1.206    39.815    0.000    0.000
LGA    V    80_D      V    80_D    36.449     0    0.638   1.311    40.344    0.000    0.000
LGA    F    81_D      F    81_D    41.874     0    0.538   0.669    44.288    0.000    0.000
LGA    T    82_D      T    82_D    47.955     0    0.656   0.557    49.703    0.000    0.000
LGA    N    83_D      N    83_D    48.251     0    0.289   0.919    50.760    0.000    0.000
LGA    K    84_D      K    84_D    52.351     0    0.608   0.936    58.399    0.000    0.000
LGA    E    85_D      E    85_D    49.394     0    0.594   0.605    52.042    0.000    0.000
LGA    L    86_D      L    86_D    43.651     0    0.652   0.994    45.485    0.000    0.000
LGA    E    87_D      E    87_D    46.847     0    0.593   0.903    53.525    0.000    0.000
LGA    D    88_D      D    88_D    47.016     0    0.394   1.098    52.513    0.000    0.000
LGA    I    89_D      I    89_D    40.652     0    0.204   1.380    43.069    0.000    0.000
LGA    Y    90_D      Y    90_D    38.351     0    0.560   1.156    40.716    0.000    0.000
LGA    D    91_D      D    91_D    42.590     0    0.614   1.239    43.684    0.000    0.000
LGA    L    92_D      L    92_D    43.386     0    0.107   1.244    49.663    0.000    0.000
LGA    S    93_D      S    93_D    36.230     0    0.674   0.780    38.781    0.000    0.000
LGA    N    94_D      N    94_D    33.627     0    0.053   1.198    37.809    0.000    0.000
LGA    K    95_D      K    95_D    32.872     0    0.620   0.965    37.567    0.000    0.000
LGA    E    96_D      E    96_D    30.467     0    0.013   1.329    33.286    0.000    0.000
LGA    E    97_D      E    97_D    23.837     0    0.009   0.985    25.984    0.000    0.000
LGA    T    98_D      T    98_D    27.519     0    0.019   0.026    30.399    0.000    0.000
LGA    K    99_D      K    99_D    32.916     0    0.012   0.805    41.799    0.000    0.000
LGA    E   100_D      E   100_D    28.889     0    0.037   1.095    32.578    0.000    0.000
LGA    V   101_D      V   101_D    24.051     0    0.058   0.925    25.835    0.000    0.000
LGA    L   102_D      L   102_D    29.922     0    0.009   1.201    33.120    0.000    0.000
LGA    K   103_D      K   103_D    33.430     0    0.023   0.479    41.184    0.000    0.000
LGA    K   104_D      K   104_D    27.969     0    0.012   0.909    29.545    0.000    0.000
LGA    F   105_D      F   105_D    26.239     0    0.006   1.409    28.603    0.000    0.000
LGA    K   106_D      K   106_D    33.369     0    0.024   0.597    45.025    0.000    0.000
LGA    E   107_D      E   107_D    33.973     0    0.026   1.039    36.165    0.000    0.000
LGA    K   108_D      K   108_D    27.692     0    0.014   0.604    29.560    0.000    0.000
LGA    V   109_D      V   109_D    29.481     0    0.023   1.344    31.826    0.000    0.000
LGA    N   110_D      N   110_D    36.217     0    0.007   0.146    40.789    0.000    0.000
LGA    Q   111_D      Q   111_D    33.763     0    0.016   0.958    34.140    0.000    0.000
LGA    F   112_D      F   112_D    28.523     0    0.015   1.368    30.228    0.000    0.000
LGA    Y   113_D      Y   113_D    33.882     0    0.033   0.629    35.860    0.000    0.000
LGA    R   114_D      R   114_D    38.468     0    0.017   0.339    43.492    0.000    0.000
LGA    H   115_D      H   115_D    33.676     0    0.048   1.371    34.849    0.000    0.000
LGA    A   116_D      A   116_D    30.664     0    0.030   0.037    33.050    0.000    0.000
LGA    F   117_D      F   117_D    37.497     0    0.082   1.178    42.085    0.000    0.000
LGA    D   118_D      D   118_D    40.305     0    0.038   1.340    43.856    0.000    0.000
LGA    I   119_D      I   119_D    34.902     0    0.011   0.070    36.282    0.000    0.000
LGA    I   120_D      I   120_D    35.964     0    0.041   0.709    39.262    0.000    0.000
LGA    N   121_D      N   121_D    43.413     0    0.046   0.108    46.536    0.000    0.000
LGA    K   122_D      K   122_D    43.309     0    0.011   0.497    45.604    0.000    0.000
LGA    Y   123_D      Y   123_D    38.242     0    0.007   0.141    40.468    0.000    0.000
LGA    G   124_D      G   124_D    36.045     0    0.254   0.254    37.108    0.000    0.000
LGA    L   125_D      L   125_D    35.510     0    0.134   1.251    36.083    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):    15.114         15.185                 15.344           29.429   25.789

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  124    4.0     46    1.80    33.266    31.658     2.423

LGA_LOCAL      RMSD:   1.799  Number of atoms:   46  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  27.931  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  15.114  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.605469 * X  +   0.399517 * Y  +   0.688327 * Z  + -11.945701
  Y_new =  -0.662680 * X  +   0.732041 * Y  +   0.158021 * Z  + -40.413738
  Z_new =  -0.440751 * X  +  -0.551817 * Y  +   0.707980 * Z  +  71.675217 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.830481  0.456435 -0.662069   [DEG:  -47.5831   26.1518  -37.9337 ]
ZXZ:  1.796459  0.784162 -2.467629   [DEG:  102.9295   44.9292 -141.3847 ]
 
# END of job
