
#######################################################
#                                                     #
#                        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  126 (  991),  selected  124 , name one
# Molecule2: number of CA atoms  124 (  971),  selected  124 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:F  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    32      84_A - 115_A       4.93    18.72
  LCS_AVERAGE:     19.82

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    13      50_A - 62_A        1.80    15.31
  LCS_AVERAGE:      6.51

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:     7      50_A - 56_A        0.81    15.00
  LONGEST_CONTINUOUS_SEGMENT:     7      54_A - 60_A        0.90    16.03
  LCS_AVERAGE:      3.66

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     M     1_F     M     1_A      5    8   16      0    4    6    6    7    7    8   10   11   12   13   15   19   20   21   22   26   27   32   32 
LCS_GDT     F     2_F     F     2_A      5    8   17      3    4    6    6    7    7    8   10   11   11   13   15   17   19   23   25   26   27   32   41 
LCS_GDT     T     3_F     T     3_A      5    8   18      3    4    6    6    7    7   10   13   16   17   20   25   29   31   34   36   39   43   48   52 
LCS_GDT     G     4_F     G     4_A      5    8   18      3    4    6    6    7    9   16   19   20   23   25   27   29   32   36   40   42   47   52   57 
LCS_GDT     W     5_F     W     5_A      5    8   18      3    5    6    6   10   12   16   19   21   25   27   30   32   36   39   44   45   51   56   60 
LCS_GDT     S     6_F     S     6_A      5    8   19      3    5    5   10   13   17   18   22   24   27   29   32   37   40   44   47   51   55   57   60 
LCS_GDT     P     7_F     P     7_A      5   10   19      3    5    5    8   11   15   19   22   24   27   29   32   37   41   44   47   51   55   57   60 
LCS_GDT     F     8_F     F     8_A      5   10   19      3    5    8   12   14   18   22   24   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     K     9_F     K     9_A      6   10   19      4    5    6    7    9   11   13   18   19   21   24   25   29   33   39   43   48   51   54   58 
LCS_GDT     Y    10_F     Y    10_A      6   10   19      4    4    6    8    9   12   15   18   20   21   23   25   27   32   35   39   46   51   54   57 
LCS_GDT     S    11_F     S    11_A      6   10   19      4    4    6    8    9   11   12   16   19   20   23   24   25   28   29   31   35   39   45   52 
LCS_GDT     K    12_F     K    12_A      6   10   19      4    4    6    8    9   11   12   16   19   20   23   24   25   28   29   31   33   39   49   53 
LCS_GDT     G    13_F     G    13_A      6   10   19      3    4    7    8    9   11   12   16   19   20   23   24   25   28   35   39   42   45   49   53 
LCS_GDT     N    14_F     N    14_A      6   10   19      3    4    7    8    9   11   12   16   19   20   23   24   25   28   35   38   42   45   49   53 
LCS_GDT     T    15_F     T    15_A      6   10   19      3    4    7    8    9   11   12   16   19   20   23   24   25   28   29   35   40   45   49   53 
LCS_GDT     V    16_F     V    16_A      6   10   19      3    4    7    8    9   11   12   16   19   20   24   26   28   33   34   43   46   51   54   58 
LCS_GDT     T    17_F     T    17_A      6   10   19      3    4    7    8    9   11   13   15   19   20   24   31   33   37   38   43   47   53   54   58 
LCS_GDT     F    18_F     F    18_A      6   10   19      3    4    7    8   11   16   21   23   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     K    19_F     K    19_A      6    9   19      3    4    7    8    9   14   18   23   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     T    20_F     T    20_A      5    9   19      3    7   12   14   15   16   16   19   24   27   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     P    21_F     P    21_A      4    9   19      3    3    5    6    8   10   17   22   24   27   29   32   39   41   44   47   51   55   57   60 
LCS_GDT     D    22_F     D    22_A      4    9   19      3    3    5    7    7    9   10   10   16   20   23   24   29   37   41   45   50   55   57   60 
LCS_GDT     E    23_F     E    23_A      3    9   19      3    3    5    6    7    9   10   11   12   27   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     S    24_F     S    24_A      3    6   19      3    3    4    6    7    7    9   11   12   14   18   22   29   35   43   46   51   55   57   60 
LCS_GDT     S    25_F     S    25_A      3    5   19      0    3    4    5    7   10   12   15   19   22   28   30   32   35   41   46   51   55   57   60 
LCS_GDT     I    26_F     I    26_A      3    8   19      0    3    6    6    7    9   15   16   21   23   28   30   32   35   41   44   50   55   57   60 
LCS_GDT     A    27_F     A    27_A      5    8   18      0    4    5    7   10   11   15   16   16   19   21   25   27   32   33   34   38   41   45   47 
LCS_GDT     Y    28_F     Y    28_A      5    8   18      4    5    6    7   10   11   15   16   16   19   21   25   27   32   33   34   36   38   45   46 
LCS_GDT     M    29_F     M    29_A      5    8   18      4    5    6    7   10   11   15   16   16   20   22   25   29   32   41   44   50   51   53   60 
LCS_GDT     R    30_F     R    30_A      5    8   28      4    5    6    7   10   11   15   16   16   19   21   25   29   32   41   44   50   51   55   60 
LCS_GDT     F    31_F     F    31_A      5    8   28      4    5    6    8   10   11   15   18   21   25   29   35   39   41   44   47   51   55   57   60 
LCS_GDT     R    32_F     R    32_A      5   10   28      4    5    6    8   13   14   17   18   21   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     N    33_F     N    33_A      4   10   28      4    4    8   11   13   14   17   18   21   25   28   34   39   41   44   47   51   55   56   60 
LCS_GDT     C    34_F     C    34_A      5   10   28      4    4    7    9   12   13   17   21   22   25   28   35   39   41   44   47   51   55   57   60 
LCS_GDT     V    35_F     V    35_A      5   10   28      3    4    7   10   12   14   17   22   26   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     F    36_F     F    36_A      6   10   28      3    4    8   11   13   18   22   24   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     T    37_F     T    37_A      6   10   28      3    6    8   11   13   14   17   20   24   26   28   31   35   40   44   47   50   55   57   60 
LCS_GDT     F    38_F     F    38_A      6   10   28      3    6    8   11   13   14   17   18   20   21   25   27   31   33   36   40   44   50   54   58 
LCS_GDT     T    39_F     T    39_A      6   10   28      3    6    8   11   13   14   17   18   20   21   25   27   30   33   36   39   43   48   53   58 
LCS_GDT     D    40_F     D    40_A      6   10   28      3    4    8   11   13   14   17   18   20   21   25   27   28   30   32   37   39   42   47   49 
LCS_GDT     P    41_F     P    41_A      6   10   28      3    4    8   11   13   14   17   18   20   21   25   27   28   30   32   33   36   38   41   46 
LCS_GDT     K    42_F     K    42_A      4    9   28      3    4    5    7    9   11   12   16   20   21   24   27   28   30   32   33   35   37   38   40 
LCS_GDT     G    43_F     G    43_A      5    9   28      3    4    5    7   12   13   15   18   20   21   25   27   28   30   32   33   36   38   41   42 
LCS_GDT     S    44_F     S    44_A      5    9   28      3    4    5    7   12   13   14   18   20   21   25   27   28   30   32   33   36   38   41   43 
LCS_GDT     L    45_F     L    45_A      5    9   28      3    4    5    7   12   14   16   18   20   21   25   27   28   30   36   39   43   46   52   55 
LCS_GDT     H    46_F     H    46_A      5    9   28      3    4    8   11   13   14   17   18   20   21   25   27   28   32   36   38   43   46   52   58 
LCS_GDT     S    47_F     S    47_A      5    9   28      3    6    8   11   13   14   17   18   20   24   27   29   31   36   41   45   50   52   55   60 
LCS_GDT     I    48_F     I    48_A      5    9   28      3    6    8   11   13   14   17   18   24   26   28   31   33   40   44   47   51   55   57   60 
LCS_GDT     D    49_F     D    49_A      5   12   28      3    4    6   10   12   17   22   24   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     V    50_F     V    50_A      7   13   28      3    7   12   14   15   18   22   24   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     T    51_F     T    51_A      7   13   28      3    7   12   14   15   18   22   24   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     E    52_F     E    52_A      7   13   28      3    7   12   14   15   18   22   24   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     V    53_F     V    53_A      7   13   28      4    7   12   14   15   18   22   24   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     L    54_F     L    54_A      7   13   28      4    7   12   14   15   18   22   24   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     N    55_F     N    55_A      7   13   28      4    7   11   14   15   18   22   24   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     N    56_F     N    56_A      7   13   28      4    7   12   14   15   18   22   24   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     M    57_F     M    57_A      7   13   28      3    6   12   14   15   18   22   24   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     A    58_F     A    58_A      7   13   28      3    7   12   14   15   18   22   24   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     K    59_F     K    59_A      7   13   28      3    6   12   14   15   18   22   24   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     G    60_F     G    60_A      7   13   26      3    7   12   14   15   18   22   24   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     F    61_F     F    61_A      5   13   26      0    4    7    9   12   17   19   22   25   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     R    62_F     R    62_A      5   13   26      3    3    5    9   12   14   17   21   25   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     D    63_F     D    63_A      4    5   26      3    3    5    6    7   11   15   21   22   25   28   28   32   37   40   46   51   55   57   60 
LCS_GDT     A    64_F     A    64_A      4    5   26      3    3    5    6    7   10   12   15   19   20   21   25   30   35   40   46   51   55   57   60 
LCS_GDT     Q    65_F     Q    65_A      3    5   26      3    3    4    5    7   11   14   17   21   25   28   28   30   35   41   46   51   55   57   60 
LCS_GDT     N    66_F     N    66_A      3    5   26      3    3    4    4    5    7    9   16   22   25   28   30   34   41   43   47   51   55   57   60 
LCS_GDT     P    67_F     P    67_A      3    5   26      3    3    4    5    7   12   15   21   22   25   28   28   31   38   41   45   48   52   57   60 
LCS_GDT     P    68_F     P    68_A      3    6   26      3    3    4    5    7   12   15   21   22   25   28   28   30   32   37   42   47   50   55   59 
LCS_GDT     S    69_F     S    69_A      3    6   26      3    4    5    6    7    9   15   21   21   25   28   28   30   30   34   38   43   46   49   52 
LCS_GDT     S    70_F     S    70_A      3    6   26      3    4    4    6    7   12   16   21   22   25   28   28   30   34   41   45   47   52   56   60 
LCS_GDT     F    71_F     F    71_A      3    6   26      1    4    4    8   12   14   16   22   24   27   29   31   36   41   44   47   51   55   57   60 
LCS_GDT     T    72_F     T    72_A      0    6   26      0    3    5   10   12   17   19   22   24   27   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     L    73_F     L    73_A      3    6   26      1    5    8   13   15   17   22   24   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     G    74_F     G    74_A      4    4   17      4    7    8   12   15   18   22   24   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     G    75_F     G    75_A      4    4   17      3    4    8   12   15   18   22   24   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     H    76_F     H    76_A      4    6   17      3    4    4    6    6    7   17   23   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     C    77_F     C    77_A      4    6   17      3    4    4    6    6    7    8    9   11   18   25   29   34   40   44   47   51   55   57   60 
LCS_GDT     Q    78_F     Q    78_A      4    6   17      3    7   12   14   15   17   18   22   24   27   29   35   39   41   44   47   51   55   57   60 
LCS_GDT     A    79_F     A    79_A      4    6   17      3    3    4    6    6    7   11   16   19   22   27   30   34   38   42   46   49   54   57   60 
LCS_GDT     P    80_F     P    80_A      4    6   17      3    3    4    7   10   12   15   16   18   21   25   27   29   32   35   39   43   47   55   59 
LCS_GDT     L    81_F     L    81_A      3    6   17      0    3    4    6    9   12   13   15   18   21   25   27   32   35   37   40   44   51   55   59 
LCS_GDT     N    82_F     N    82_A      4    5   17      3    3    4    8    8   10   14   14   19   21   28   30   34   35   39   44   45   52   57   60 
LCS_GDT     A    83_F     A    83_A      4    5   31      3    3    4    8    8   10   14   14   19   23   28   30   32   35   37   40   43   51   55   59 
LCS_GDT     F    84_F     F    84_A      4    5   32      3    4    4    5   11   14   15   18   24   25   28   30   34   40   42   47   51   55   57   60 
LCS_GDT     S    85_F     S    85_A      4    5   32      3    7   12   14   15   17   18   22   24   27   29   35   39   41   44   47   51   55   57   60 
LCS_GDT     F    86_F     F    86_A      3    6   32      3    6    9   13   15   18   22   24   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     V    87_F     V    87_A      5    6   32      3    4    5   12   14   18   22   24   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     L    88_F     L    88_A      5    6   32      3    4    5    7   15   18   22   24   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     P    89_F     P    89_A      5    6   32      3    4    5    7   14   18   22   24   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     G    90_F     G    90_A      5    6   32      4    7    8   10   15   18   22   24   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     V    91_F     V    91_A      5    6   32      3    4    7   11   15   18   22   24   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     N    92_F     N    92_A      4    6   32      3    3    5    6   12   18   22   24   27   29   32   35   39   41   44   47   51   55   57   60 
LCS_GDT     D    93_F     D    93_A      3    5   32      3    3    4    4   10   13   14   18   22   24   28   32   35   38   44   47   50   53   56   58 
LCS_GDT     R    94_F     R    94_A      3    5   32      3    3    4    4   11   14   16   18   20   22   28   31   34   37   43   44   48   52   54   58 
LCS_GDT     A    95_F     A    95_A      3    5   32      3    3    6    8    9   14   16   17   20   22   27   31   31   34   36   43   48   51   54   58 
LCS_GDT     T    96_F     T    96_A      3    6   32      3    5    8   11   14   15   16   18   20   22   28   31   31   34   36   39   43   50   54   58 
LCS_GDT     V    97_F     V    97_A      4    6   32      3    4    4    4    6    7    8   16   18   22   24   27   31   32   36   39   43   45   49   53 
LCS_GDT     A    98_F     A    98_A      4    9   32      3    4    8   11   14   15   16   18   20   22   28   31   31   34   36   39   43   45   49   53 
LCS_GDT     T    99_F     T    99_A      5    9   32      3    4    7   11   14   15   16   18   20   22   28   31   31   34   36   39   43   45   49   53 
LCS_GDT     A   100_F     A   100_A      5    9   32      3    5    8   11   14   15   16   18   20   22   28   31   31   34   36   39   43   45   49   53 
LCS_GDT     D   101_F     D   101_A      5   11   32      3    5    8   11   14   15   16   18   20   22   27   31   31   34   36   39   43   45   48   53 
LCS_GDT     E   102_F     E   102_A      5   11   32      3    4    7   11   14   15   16   18   20   22   28   31   31   34   36   39   43   45   49   53 
LCS_GDT     A   103_F     A   103_A      5   11   32      3    4    8   11   13   15   16   18   20   22   28   31   31   34   36   39   43   45   49   53 
LCS_GDT     K   104_F     K   104_A      5   11   32      3    4    8   11   14   15   16   18   20   22   28   31   31   34   36   39   43   45   49   53 
LCS_GDT     K   105_F     K   105_A      5   11   32      3    5    8   11   14   15   16   18   20   22   28   31   31   34   36   39   43   45   49   53 
LCS_GDT     W   106_F     W   106_A      5   11   32      3    4    8   11   14   15   16   18   20   22   28   31   31   34   36   39   43   47   52   54 
LCS_GDT     E   107_F     E   107_A      3   11   32      3    4    4    5    6   10   15   18   20   22   26   31   31   34   36   39   43   45   48   53 
LCS_GDT     N   108_F     N   108_A      3   11   32      3    4    8   11   14   15   16   18   20   22   28   31   31   34   36   39   43   45   49   53 
LCS_GDT     C   109_F     C   109_A      3   11   32      3    5    8   11   14   15   16   18   20   22   28   31   31   34   36   39   43   47   53   54 
LCS_GDT     D   110_F     D   110_A      3   11   32      3    5    8   11   14   15   16   18   20   22   28   31   31   34   36   39   43   45   49   53 
LCS_GDT     A   111_F     A   111_A      3   11   32      3    4    7   11   14   15   16   21   22   25   28   31   31   34   36   39   43   47   52   54 
LCS_GDT     T   112_F     T   112_A      3    4   32      3    3    4    4    5    6   10   21   22   25   28   31   31   34   36   39   43   47   53   54 
LCS_GDT     L   113_F     L   113_A      3    4   32      3    3    4    4   10   11   15   21   22   25   28   31   31   34   36   40   43   47   53   54 
LCS_GDT     T   114_F     T   114_A      3    4   32      0    3    3    4    5    6    8   12   18   22   28   31   31   34   36   39   43   45   49   53 
LCS_GDT     G   115_F     G   115_A      3    4   32      0    3    4    4    4    6    8   10   12   16   22   26   31   34   36   38   42   45   49   53 
LCS_GDT     L   116_F     L   116_A      3    3   26      0    3    3    3    3    6    8   10   12   14   17   17   19   29   30   31   40   43   48   53 
LCS_GDT     Q   117_F     Q   117_A      3    3   11      0    3    3    5    8    9   10   12   18   20   25   25   27   29   34   36   40   45   49   53 
LCS_GDT     R   118_F     R   118_A      3    3    9      0    3    3    5    8    9   10   12   15   15   17   17   20   29   30   35   38   40   47   51 
LCS_GDT     I   119_F     I   119_A      3    3    9      0    3    5    6    7    7    8   12   15   15   17   17   20   22   24   28   34   40   41   46 
LCS_GDT     I   120_F     I   120_A      3    3    9      1    3    5    6    7    7    8    9    9   11   12   16   20   21   25   30   39   41   48   54 
LCS_GDT     H   121_F     H   121_A      3    3    8      3    3    4    4    5    7    8    8    9   10   16   17   20   21   24   27   32   35   38   44 
LCS_GDT     H   122_F     H   122_A      3    3    8      3    3    4    4    5    7    8    8    8    9   12   16   20   21   24   25   32   35   38   44 
LCS_GDT     H   123_F     H   123_A      3    3    8      3    3    3    3    4    6    9   11   12   13   13   14   15   17   17   24   27   32   33   38 
LCS_GDT     H   124_F     H   124_A      3    3    8      0    3    3    3    3    4    4    4   11   11   12   13   15   17   17   19   21   22   24   32 
LCS_AVERAGE  LCS_A:  10.00  (   3.66    6.51   19.82 )

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      4      7     12     14     15     18     22     24     27     29     32     35     39     41     44     47     51     55     57     60 
GDT PERCENT_AT   3.23   5.65   9.68  11.29  12.10  14.52  17.74  19.35  21.77  23.39  25.81  28.23  31.45  33.06  35.48  37.90  41.13  44.35  45.97  48.39
GDT RMS_LOCAL    0.28   0.61   1.06   1.21   1.38   2.09   2.42   2.59   3.00   3.34   3.68   4.06   4.41   4.63   4.90   5.13   5.55   5.86   6.11   6.50
GDT RMS_ALL_AT  19.36  15.35  15.24  15.19  15.15  14.91  14.97  14.90  14.91  14.81  14.71  14.80  14.73  14.67  14.74  14.71  14.66  14.69  14.73  15.09

# Checking swapping
#   possible swapping detected:  F    18_F      F    18_A
#   possible swapping detected:  D    22_F      D    22_A
#   possible swapping detected:  E    23_F      E    23_A
#   possible swapping detected:  F    31_F      F    31_A
#   possible swapping detected:  F    38_F      F    38_A
#   possible swapping detected:  D    40_F      D    40_A
#   possible swapping detected:  D    49_F      D    49_A
#   possible swapping detected:  F    61_F      F    61_A
#   possible swapping detected:  D    63_F      D    63_A
#   possible swapping detected:  F    71_F      F    71_A
#   possible swapping detected:  F    86_F      F    86_A
#   possible swapping detected:  D   101_F      D   101_A
#   possible swapping detected:  E   107_F      E   107_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_F      M     1_A    28.391     0    0.218   1.012    30.371    0.000    0.000
LGA    F     2_F      F     2_A    24.795     0    0.172   1.413    25.650    0.000    0.000
LGA    T     3_F      T     3_A    23.389     0    0.585   1.427    26.616    0.000    0.000
LGA    G     4_F      G     4_A    21.988     0    0.202   0.202    22.236    0.000    0.000
LGA    W     5_F      W     5_A    17.200     0    0.222   0.971    19.810    0.000    0.000
LGA    S     6_F      S     6_A    10.622     0    0.100   0.550    12.930    2.976    2.540
LGA    P     7_F      P     7_A     6.592     0    0.177   0.233     9.683   32.143   19.524
LGA    F     8_F      F     8_A     3.089     0    0.218   1.316     8.096   32.976   31.948
LGA    K     9_F      K     9_A    10.294     0    0.232   1.142    18.882    1.786    0.794
LGA    Y    10_F      Y    10_A    12.543     0    0.189   0.829    15.570    0.000    0.516
LGA    S    11_F      S    11_A    18.070     0    0.093   0.623    20.500    0.000    0.000
LGA    K    12_F      K    12_A    22.463     0    0.116   1.303    28.196    0.000    0.000
LGA    G    13_F      G    13_A    24.984     0    0.421   0.421    24.984    0.000    0.000
LGA    N    14_F      N    14_A    20.308     0    0.102   0.589    21.809    0.000    0.000
LGA    T    15_F      T    15_A    18.058     0    0.046   1.039    20.960    0.000    0.000
LGA    V    16_F      V    16_A    11.721     0    0.282   1.263    14.055    0.000    0.408
LGA    T    17_F      T    17_A    10.489     0    0.157   1.305    14.574    2.976    1.701
LGA    F    18_F      F    18_A     5.922     0    0.090   0.889     8.165   12.381   43.203
LGA    K    19_F      K    19_A     6.150     0    0.074   0.911     6.619   21.548   24.286
LGA    T    20_F      T    20_A     8.342     0    0.115   0.598    12.048    9.762    5.578
LGA    P    21_F      P    21_A    10.333     0    0.616   0.592    12.347    0.714    0.408
LGA    D    22_F      D    22_A    13.284     0    0.377   0.936    17.847    0.000    0.000
LGA    E    23_F      E    23_A     7.789     0    0.474   0.853     9.648    3.214    4.550
LGA    S    24_F      S    24_A    10.341     0    0.471   0.712    10.341    0.714    0.952
LGA    S    25_F      S    25_A    11.732     0    0.269   0.964    13.082    0.000    0.000
LGA    I    26_F      I    26_A    12.087     0    0.593   1.530    13.580    0.000    0.000
LGA    A    27_F      A    27_A    17.135     0    0.629   0.613    18.138    0.000    0.000
LGA    Y    28_F      Y    28_A    19.665     0    0.546   0.856    31.581    0.000    0.000
LGA    M    29_F      M    29_A    13.685     0    0.229   0.839    15.301    0.000    0.357
LGA    R    30_F      R    30_A    13.089     0    0.088   1.323    24.172    0.000    0.000
LGA    F    31_F      F    31_A     7.682     0    0.162   1.452     9.532    6.190   10.996
LGA    R    32_F      R    32_A     7.195     0    0.429   0.966    13.594    8.690    3.983
LGA    N    33_F      N    33_A     8.355     0    0.605   1.328    12.115    6.667    4.048
LGA    C    34_F      C    34_A     7.890     0    0.386   1.006    10.419    8.810    7.063
LGA    V    35_F      V    35_A     5.154     0    0.165   0.607     6.900   38.690   28.367
LGA    F    36_F      F    36_A     2.688     0    0.131   1.552    10.700   42.143   24.113
LGA    T    37_F      T    37_A     6.045     0    0.192   1.148     7.547   20.357   18.163
LGA    F    38_F      F    38_A     9.782     0    0.370   1.346    16.613    0.833    0.303
LGA    T    39_F      T    39_A    11.867     0    0.302   0.882    12.793    0.000    0.408
LGA    D    40_F      D    40_A    16.437     0    0.102   0.572    21.054    0.000    0.000
LGA    P    41_F      P    41_A    20.202     0    0.712   0.646    22.139    0.000    0.000
LGA    K    42_F      K    42_A    25.756     0    0.105   1.137    35.680    0.000    0.000
LGA    G    43_F      G    43_A    22.229     0    0.440   0.440    23.330    0.000    0.000
LGA    S    44_F      S    44_A    19.895     0    0.250   0.381    21.976    0.000    0.000
LGA    L    45_F      L    45_A    14.137     0    0.398   1.114    16.381    0.000    0.179
LGA    H    46_F      H    46_A    12.137     0    0.134   1.334    18.448    0.000    0.000
LGA    S    47_F      S    47_A     8.475     0    0.246   0.685    10.025    2.738    3.810
LGA    I    48_F      I    48_A     6.381     0    0.193   0.308     7.846   23.333   16.726
LGA    D    49_F      D    49_A     3.310     0    0.155   1.214     5.625   56.190   41.905
LGA    V    50_F      V    50_A     1.716     0    0.614   0.653     4.490   66.310   57.483
LGA    T    51_F      T    51_A     1.882     0    0.321   1.288     3.752   70.833   62.109
LGA    E    52_F      E    52_A     2.169     0    0.207   0.981     4.932   70.833   52.222
LGA    V    53_F      V    53_A     1.515     0    0.248   0.605     2.280   70.833   72.993
LGA    L    54_F      L    54_A     1.374     0    0.049   0.772     5.010   81.429   63.929
LGA    N    55_F      N    55_A     1.445     0    0.183   0.927     4.656   77.143   62.500
LGA    N    56_F      N    56_A     1.953     0    0.167   1.138     8.235   81.667   51.964
LGA    M    57_F      M    57_A     2.110     0    0.087   0.840     4.916   69.286   55.655
LGA    A    58_F      A    58_A     2.695     0    0.087   0.136     4.414   52.262   54.762
LGA    K    59_F      K    59_A     3.639     0    0.113   1.053     9.957   51.905   33.016
LGA    G    60_F      G    60_A     1.209     0    0.229   0.229     2.496   70.952   70.952
LGA    F    61_F      F    61_A     6.417     0    0.310   0.528    10.336   15.357    6.797
LGA    R    62_F      R    62_A     7.139     0    0.345   1.558    11.756    7.500    5.671
LGA    D    63_F      D    63_A    10.878     0    0.409   0.611    13.456    0.714    0.357
LGA    A    64_F      A    64_A    11.696     0    0.619   0.579    13.907    0.000    0.000
LGA    Q    65_F      Q    65_A    12.529     0    0.226   1.038    17.640    0.000    0.000
LGA    N    66_F      N    66_A    11.561     0    0.113   1.161    15.077    0.000    0.000
LGA    P    67_F      P    67_A    13.719     0    0.154   0.197    16.260    0.000    0.000
LGA    P    68_F      P    68_A    16.655     0    0.419   0.419    19.714    0.000    0.000
LGA    S    69_F      S    69_A    19.790     0    0.251   0.650    22.853    0.000    0.000
LGA    S    70_F      S    70_A    14.251     0    0.100   0.262    16.114    0.000    0.000
LGA    F    71_F      F    71_A     9.782     0    0.271   1.312    11.156    2.024    1.472
LGA    T    72_F      T    72_A     7.555     0    0.212   0.881     9.558   10.595    7.211
LGA    L    73_F      L    73_A     4.019     0    0.342   1.395     6.066   38.214   34.524
LGA    G    74_F      G    74_A     1.858     0    0.131   0.131     3.848   67.857   67.857
LGA    G    75_F      G    75_A     2.361     0    0.278   0.278     3.678   61.667   61.667
LGA    H    76_F      H    76_A     5.965     0    0.681   1.441     7.405   24.286   17.429
LGA    C    77_F      C    77_A     7.612     0    0.469   0.413    10.381    6.786    7.540
LGA    Q    78_F      Q    78_A     9.586     0    0.229   1.679    11.204    1.905    1.587
LGA    A    79_F      A    79_A    11.331     0    0.245   0.225    13.140    0.119    0.095
LGA    P    80_F      P    80_A    17.006     0    0.438   0.586    19.969    0.000    0.000
LGA    L    81_F      L    81_A    14.094     0    0.383   1.331    16.170    0.000    0.000
LGA    N    82_F      N    82_A    13.296     0    0.579   1.184    14.383    0.000    0.000
LGA    A    83_F      A    83_A    13.572     0    0.418   0.403    15.078    0.000    0.000
LGA    F    84_F      F    84_A     9.363     0    0.811   0.727    15.024    4.881    1.905
LGA    S    85_F      S    85_A     8.374     0    0.597   0.723     8.789    6.429    5.556
LGA    F    86_F      F    86_A     3.058     0    0.299   1.355     6.982   56.786   40.909
LGA    V    87_F      V    87_A     3.306     0    0.452   0.623     6.289   50.357   38.776
LGA    L    88_F      L    88_A     2.323     0    0.188   0.970     7.752   75.119   49.643
LGA    P    89_F      P    89_A     2.767     0    0.342   0.408     6.991   67.381   47.211
LGA    G    90_F      G    90_A     2.308     0    0.305   0.305     4.427   60.595   60.595
LGA    V    91_F      V    91_A     3.467     0    0.332   0.349     5.150   48.571   42.993
LGA    N    92_F      N    92_A     3.103     0    0.558   1.011     6.473   50.119   41.964
LGA    D    93_F      D    93_A     7.467     0    0.495   1.244    11.443   14.643    7.321
LGA    R    94_F      R    94_A     8.958     0    0.807   1.658    16.972    2.262    0.823
LGA    A    95_F      A    95_A     9.426     0    0.788   0.728    11.846    1.071    0.952
LGA    T    96_F      T    96_A    10.359     0    0.544   1.075    11.926    0.357    0.952
LGA    V    97_F      V    97_A    11.149     0    0.193   0.228    12.690    0.000    0.884
LGA    A    98_F      A    98_A    16.443     0    0.539   0.547    19.516    0.000    0.000
LGA    T    99_F      T    99_A    19.642     0    0.192   0.337    19.997    0.000    0.000
LGA    A   100_F      A   100_A    23.053     0    0.174   0.169    24.817    0.000    0.000
LGA    D   101_F      D   101_A    26.079     0    0.019   1.182    31.264    0.000    0.000
LGA    E   102_F      E   102_A    20.620     0    0.240   0.989    22.562    0.000    0.000
LGA    A   103_F      A   103_A    20.885     0    0.090   0.080    22.470    0.000    0.000
LGA    K   104_F      K   104_A    25.673     0    0.171   1.274    28.781    0.000    0.000
LGA    K   105_F      K   105_A    21.321     0    0.229   1.598    22.664    0.000    0.000
LGA    W   106_F      W   106_A    17.290     0    0.546   0.888    19.033    0.000    0.000
LGA    E   107_F      E   107_A    22.666     0    0.336   1.003    27.257    0.000    0.000
LGA    N   108_F      N   108_A    25.519     0    0.221   1.213    31.699    0.000    0.000
LGA    C   109_F      C   109_A    21.362     0    0.178   0.405    22.928    0.000    0.000
LGA    D   110_F      D   110_A    24.256     0    0.653   1.108    29.150    0.000    0.000
LGA    A   111_F      A   111_A    21.415     0    0.546   0.523    22.539    0.000    0.000
LGA    T   112_F      T   112_A    18.427     0    0.452   0.874    19.613    0.000    0.000
LGA    L   113_F      L   113_A    16.119     0    0.591   0.799    19.249    0.000    0.000
LGA    T   114_F      T   114_A    21.111     0    0.665   1.278    25.132    0.000    0.000
LGA    G   115_F      G   115_A    20.503     0    0.414   0.414    22.345    0.000    0.000
LGA    L   116_F      L   116_A    18.813     0    0.629   1.300    19.016    0.000    0.000
LGA    Q   117_F      Q   117_A    19.453     0    0.642   0.981    22.597    0.000    0.000
LGA    R   118_F      R   118_A    24.264     0    0.620   1.217    26.587    0.000    0.000
LGA    I   119_F      I   119_A    22.298     0    0.663   0.859    25.718    0.000    0.000
LGA    I   120_F      I   120_A    18.522     0    0.638   1.105    19.723    0.000    0.000
LGA    H   121_F      H   121_A    23.448     0    0.691   0.795    29.490    0.000    0.000
LGA    H   122_F      H   122_A    25.107     0    0.534   1.107    28.544    0.000    0.000
LGA    H   123_F      H   123_A    27.100     0    0.591   1.083    30.211    0.000    0.000
LGA    H   124_F      H   124_A    25.369     0    0.587   1.081    26.486    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     971    971  100.00               124
SUMMARY(RMSD_GDC):    13.705         13.610                 14.397           14.314   11.993

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  124    4.0     24    2.59    18.548    15.801     0.892

LGA_LOCAL      RMSD:   2.589  Number of atoms:   24  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.903  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  13.705  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.743242 * X  +  -0.241344 * Y  +  -0.623975 * Z  + -60.179623
  Y_new =   0.580126 * X  +  -0.232062 * Y  +   0.780770 * Z  +  13.554815
  Z_new =  -0.333235 * X  +  -0.942285 * Y  +  -0.032469 * Z  +  -1.917463 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.662758  0.339732 -1.605240   [DEG:   37.9732   19.4652  -91.9735 ]
ZXZ: -2.467353  1.603271 -2.801674   [DEG: -141.3689   91.8607 -160.5241 ]
 
# END of job
