
#######################################################
#                                                     #
#                        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  120 (  931),  selected  120 , name one
# Molecule2: number of CA atoms  124 (  971),  selected  120 , 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:    45      30_A - 74_A        4.93    17.48
  LCS_AVERAGE:     25.42

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      31_A - 61_A        1.96    15.85
  LCS_AVERAGE:     12.28

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20      32_A - 51_A        0.93    15.40
  LONGEST_CONTINUOUS_SEGMENT:    20      33_A - 52_A        0.99    15.42
  LCS_AVERAGE:      7.06

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  120
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      4    5   19      3    4    4    5    7    9   10   11   12   13   15   21   24   28   32   36   38   40   40   43 
LCS_GDT     F     2_F     F     2_A      4    6   21      3    4    4    5    7    9   10   11   12   14   17   20   23   28   30   34   37   38   40   43 
LCS_GDT     T     3_F     T     3_A      4    9   22      3    4    4    5    9   10   10   11   13   16   17   19   21   24   26   29   32   37   39   43 
LCS_GDT     G     4_F     G     4_A      4    9   22      3    4    5    6    9   10   10   11   12   16   17   19   21   22   22   25   28   31   38   41 
LCS_GDT     W     5_F     W     5_A      5    9   22      3    5    5    7    9   10   10   11   12   16   17   19   21   22   22   25   31   32   34   40 
LCS_GDT     S     6_F     S     6_A      6    9   22      3    5    7    8    9   11   11   12   13   16   17   19   26   30   32   35   36   40   44   45 
LCS_GDT     P     7_F     P     7_A      6    9   22      3    5    7    8    9   11   11   12   13   19   19   25   28   33   34   37   38   42   44   47 
LCS_GDT     F     8_F     F     8_A      6    9   22      4    5    7    8    9   14   19   24   27   29   33   34   38   41   43   45   46   48   49   52 
LCS_GDT     K     9_F     K     9_A      6    9   26      4    5    7    8    9   11   11   12   27   29   33   34   38   41   43   45   46   48   49   52 
LCS_GDT     Y    10_F     Y    10_A      6    9   26      4    5    7   10   12   12   14   16   27   29   33   34   38   41   43   45   46   48   49   52 
LCS_GDT     S    11_F     S    11_A      6   10   26      4    5    7   10   12   12   14   16   17   24   25   27   29   32   34   36   38   40   44   48 
LCS_GDT     K    12_F     K    12_A      5   10   26      5    5    7    8   11   14   16   21   24   25   27   28   30   32   34   36   38   44   48   50 
LCS_GDT     G    13_F     G    13_A      5   10   26      5    5    6    7   11   14   16   21   24   25   27   33   38   41   43   45   46   48   49   52 
LCS_GDT     N    14_F     N    14_A      5   10   26      5    5    6    7   15   19   21   24   27   29   33   34   38   41   43   45   46   48   49   52 
LCS_GDT     T    15_F     T    15_A      5   10   26      5    5    6    7    9   18   22   23   26   29   31   35   38   41   43   45   46   48   49   52 
LCS_GDT     V    16_F     V    16_A      6   10   26      5    5    6    7    9   13   16   20   24   25   27   30   35   38   41   43   46   48   49   52 
LCS_GDT     T    17_F     T    17_A      6   10   26      4    5    6    7    9   13   16   21   24   25   27   28   30   32   34   36   41   44   46   48 
LCS_GDT     F    18_F     F    18_A      6   10   26      4    5    6    7    9   13   16   21   24   25   27   28   30   32   34   36   39   44   46   48 
LCS_GDT     K    19_F     K    19_A      6   10   26      4    5    6    7    9   13   16   21   24   25   27   28   30   32   34   36   38   40   42   44 
LCS_GDT     T    20_F     T    20_A      6   10   26      3    5    6    8   11   14   16   21   24   25   27   28   30   32   34   36   38   40   42   44 
LCS_GDT     P    21_F     P    21_A      6    8   26      3    5    7   10   12   14   16   21   24   25   27   28   30   32   34   36   38   40   42   44 
LCS_GDT     D    22_F     D    22_A      5    8   26      3    5    6   10   12   14   16   21   24   25   27   28   30   32   34   36   38   40   42   44 
LCS_GDT     E    23_F     E    23_A      4    8   26      3    4    7    7   12   12   16   20   24   25   27   28   30   32   34   36   38   40   42   44 
LCS_GDT     S    24_F     S    24_A      4    8   26      3    4    4    6   12   12   16   21   24   25   27   28   30   32   34   36   38   40   42   44 
LCS_GDT     S    25_F     S    25_A      4    8   28      3    4    4    6    9   10   15   21   24   25   27   28   30   32   34   35   38   40   42   44 
LCS_GDT     I    26_F     I    26_A      6    8   33      4    6    7   10   12   14   16   21   24   25   27   28   30   32   34   37   39   43   47   50 
LCS_GDT     A    27_F     A    27_A      6    8   38      4    6    7   10   12   14   16   21   24   25   27   28   30   32   34   37   41   45   47   50 
LCS_GDT     Y    28_F     Y    28_A      6    8   39      4    6    7   10   12   14   16   21   24   25   27   28   30   32   34   37   41   45   47   50 
LCS_GDT     M    29_F     M    29_A      6    8   40      4    6    7   10   12   14   16   21   24   25   27   31   35   39   42   43   45   49   50   54 
LCS_GDT     R    30_F     R    30_A      6   26   45      1    6    7   10   12   14   19   25   28   36   38   40   41   43   45   47   49   52   54   56 
LCS_GDT     F    31_F     F    31_A      6   31   45      1    6    9   22   28   31   31   33   34   37   38   40   42   45   46   48   49   52   55   57 
LCS_GDT     R    32_F     R    32_A     20   31   45      5   10   20   24   29   31   31   33   34   37   38   40   42   45   46   48   49   52   55   57 
LCS_GDT     N    33_F     N    33_A     20   31   45      5   11   20   24   29   31   31   33   34   37   38   40   42   45   46   48   49   52   55   57 
LCS_GDT     C    34_F     C    34_A     20   31   45      3   17   20   24   29   31   31   33   34   37   38   40   42   45   46   48   49   52   55   57 
LCS_GDT     V    35_F     V    35_A     20   31   45     10   17   20   24   29   31   31   33   34   37   38   40   42   45   46   48   49   52   55   57 
LCS_GDT     F    36_F     F    36_A     20   31   45     10   17   20   24   29   31   31   33   34   37   38   40   42   45   46   48   49   52   55   57 
LCS_GDT     T    37_F     T    37_A     20   31   45     10   17   20   24   29   31   31   33   34   37   38   40   42   45   46   48   49   52   55   56 
LCS_GDT     F    38_F     F    38_A     20   31   45     10   17   20   24   29   31   31   33   34   37   38   40   42   45   46   48   49   52   55   56 
LCS_GDT     T    39_F     T    39_A     20   31   45     10   17   20   24   29   31   31   33   34   37   38   40   42   45   46   48   49   52   55   56 
LCS_GDT     D    40_F     D    40_A     20   31   45     10   17   20   24   29   31   31   33   34   37   38   40   42   45   46   48   49   52   55   56 
LCS_GDT     P    41_F     P    41_A     20   31   45     10   17   20   24   29   31   31   33   34   37   38   40   42   45   46   48   49   52   54   56 
LCS_GDT     K    42_F     K    42_A     20   31   45     10   17   20   24   29   31   31   33   34   37   38   40   42   45   46   48   49   52   54   56 
LCS_GDT     G    43_F     G    43_A     20   31   45     10   17   20   24   29   31   31   33   34   37   38   40   42   45   46   48   49   52   55   56 
LCS_GDT     S    44_F     S    44_A     20   31   45     10   17   20   24   29   31   31   33   34   37   38   40   42   45   46   48   49   52   55   56 
LCS_GDT     L    45_F     L    45_A     20   31   45     10   17   20   24   29   31   31   33   34   37   38   40   42   45   46   48   49   52   55   56 
LCS_GDT     H    46_F     H    46_A     20   31   45     10   17   20   24   29   31   31   33   34   37   38   40   42   45   46   48   49   52   55   56 
LCS_GDT     S    47_F     S    47_A     20   31   45     10   17   20   24   29   31   31   33   34   37   38   40   42   45   46   48   49   52   55   56 
LCS_GDT     I    48_F     I    48_A     20   31   45      6   17   20   24   29   31   31   33   34   37   38   40   42   45   46   48   49   52   55   57 
LCS_GDT     D    49_F     D    49_A     20   31   45      6   17   20   24   29   31   31   33   34   37   38   40   42   45   46   48   49   52   55   57 
LCS_GDT     V    50_F     V    50_A     20   31   45      5   17   20   24   29   31   31   33   34   37   38   40   42   45   46   48   49   52   55   57 
LCS_GDT     T    51_F     T    51_A     20   31   45      6   17   20   24   29   31   31   33   34   37   38   40   42   45   46   48   49   52   55   57 
LCS_GDT     E    52_F     E    52_A     20   31   45      4    9   19   24   29   31   31   33   34   37   38   40   42   45   46   48   49   52   55   57 
LCS_GDT     V    53_F     V    53_A     16   31   45      4   10   19   24   29   31   31   33   34   37   38   40   42   45   46   48   49   52   55   57 
LCS_GDT     L    54_F     L    54_A     14   31   45      4   10   19   24   29   31   31   33   34   37   38   40   42   45   46   48   49   52   55   57 
LCS_GDT     N    55_F     N    55_A     14   31   45      5   10   19   24   29   31   31   33   34   37   38   40   42   45   46   48   49   52   55   57 
LCS_GDT     N    56_F     N    56_A     14   31   45      5   10   19   24   29   31   31   33   34   37   38   40   41   45   46   48   49   52   55   57 
LCS_GDT     M    57_F     M    57_A     12   31   45      5    9   15   24   29   31   31   33   34   37   38   40   41   43   46   48   49   52   54   57 
LCS_GDT     A    58_F     A    58_A     12   31   45      5   10   15   24   28   31   31   33   34   37   38   40   41   43   46   48   49   52   55   57 
LCS_GDT     K    59_F     K    59_A     12   31   45      5   10   16   24   29   31   31   33   34   37   38   40   41   45   46   48   49   52   55   57 
LCS_GDT     G    60_F     G    60_A     12   31   45      5   10   16   24   29   31   31   33   34   37   38   40   41   43   46   48   49   52   54   57 
LCS_GDT     F    61_F     F    61_A      9   31   45      4    9   11   17   22   28   31   33   34   37   38   40   41   43   46   48   49   52   54   57 
LCS_GDT     R    62_F     R    62_A      9   21   45      4    9   11   15   21   26   28   31   34   37   38   40   41   43   45   46   49   52   54   57 
LCS_GDT     D    63_F     D    63_A      6   21   45      4    5    8   15   22   28   31   33   34   37   38   40   41   43   46   48   49   52   54   57 
LCS_GDT     A    64_F     A    64_A      6   20   45      4    5    8   15   20   24   29   32   34   37   38   40   41   43   46   48   49   52   54   57 
LCS_GDT     Q    65_F     Q    65_A      6   17   45      4    5    8   14   17   20   26   29   32   36   38   40   41   43   45   46   49   52   54   57 
LCS_GDT     N    66_F     N    66_A      6   14   45      4    5    7   11   15   19   23   24   28   33   35   39   40   42   44   45   47   49   53   56 
LCS_GDT     P    67_F     P    67_A      6   11   45      3    5    5    8   12   17   20   24   27   29   33   35   39   42   44   45   47   49   53   57 
LCS_GDT     P    68_F     P    68_A      6   11   45      3    5    6    9   12   17   20   22   26   29   30   34   38   41   43   45   46   48   49   54 
LCS_GDT     S    69_F     S    69_A      6   11   45      3    5    6    8   12   17   20   24   26   29   33   34   38   41   43   45   45   48   49   52 
LCS_GDT     S    70_F     S    70_A      6    9   45      4    5    7    9   11   19   22   24   27   29   34   39   40   42   44   45   47   48   49   52 
LCS_GDT     F    71_F     F    71_A      6    9   45      4    5    8   15   17   19   23   25   30   36   38   40   41   42   45   45   47   48   49   54 
LCS_GDT     T    72_F     T    72_A      6    9   45      4    9   11   15   20   24   26   30   32   36   38   40   41   43   45   45   47   48   51   52 
LCS_GDT     L    73_F     L    73_A      6    9   45      4    5    7   10   21   24   27   31   33   37   38   40   41   43   45   46   48   50   54   55 
LCS_GDT     G    74_F     G    74_A      6    9   45      3    5    6    9   10   16   22   27   29   36   38   40   41   43   45   46   48   50   54   55 
LCS_GDT     G    75_F     G    75_A      3    9   27      3    3    5    6    8    9   10   13   15   19   22   24   27   30   33   38   42   45   51   52 
LCS_GDT     H    76_F     H    76_A      5    9   19      3    4    4    5    8    9   10   11   11   13   17   19   21   23   26   29   33   39   44   48 
LCS_GDT     C    77_F     C    77_A      5    9   18      3    4    4    5    8    9    9   10   11   14   17   19   24   28   34   38   42   49   50   53 
LCS_GDT     Q    78_F     Q    78_A      5    5   17      3    4    4    5    6    8   10   10   12   16   17   26   28   30   36   40   44   49   52   53 
LCS_GDT     A    79_F     A    79_A      5    5   17      3    4    4    5    5    6    9   11   15   28   32   37   42   45   46   48   49   52   54   56 
LCS_GDT     P    80_F     P    80_A      5    5   17      3    4    5    5    6    6    8   14   15   21   32   37   42   45   46   48   49   52   55   56 
LCS_GDT     L    81_F     L    81_A      4    5   17      3    4    5    5    6    7    9   12   15   21   29   36   42   45   46   48   49   52   55   57 
LCS_GDT     N    82_F     N    82_A      4    5   17      3    4    5    5    6    9   14   20   28   32   34   37   42   45   46   48   49   52   55   57 
LCS_GDT     A    83_F     A    83_A      4    5   17      3    4    5    8   11   13   15   19   25   30   33   37   42   45   46   48   49   52   55   57 
LCS_GDT     F    84_F     F    84_A      3    5   17      3    3    4    5    8   11   17   24   29   32   34   37   42   45   46   48   49   52   55   57 
LCS_GDT     S    85_F     S    85_A      3    8   17      3    3    4    8   11   13   24   26   29   33   37   37   42   45   46   48   49   52   55   57 
LCS_GDT     F    86_F     F    86_A      6    8   17      0    5    5    6    8   12   17   22   28   32   34   37   42   45   46   48   49   52   55   57 
LCS_GDT     V    87_F     V    87_A      6    8   25      3    5    5    7   11   15   15   17   25   30   33   37   42   45   46   48   49   52   55   57 
LCS_GDT     L    88_F     L    88_A      6    8   25      4    5    5    6    8   11   14   15   17   19   20   25   28   33   40   46   48   52   55   56 
LCS_GDT     P    89_F     P    89_A      6    8   25      4    5    5    6    8    9   10   14   15   17   20   25   27   32   36   45   48   52   55   56 
LCS_GDT     G    90_F     G    90_A      6    8   25      4    5    5    6    8    9   10   14   15   17   20   22   25   32   36   41   44   50   54   56 
LCS_GDT     V    91_F     V    91_A      6    8   25      4    5    5    6    8    9   10   14   15   17   20   22   24   30   36   41   48   52   54   56 
LCS_GDT     N    92_F     N    92_A      4    8   25      3    3    4    5    7    9   10   12   14   14   17   22   26   32   36   45   48   52   55   56 
LCS_GDT     D    93_F     D    93_A      3    5   25      3    3    4    4    7    8   20   26   29   32   34   37   42   45   46   48   49   52   55   57 
LCS_GDT     R    94_F     R    94_A      3    5   25      0    3    4    6   14   18   21   25   29   32   34   37   42   45   46   48   49   52   55   57 
LCS_GDT     A    95_F     A    95_A      3    5   25      3    3    3    4    5    5    9   13   16   18   25   36   41   45   46   48   49   52   55   57 
LCS_GDT     T    96_F     T    96_A     11   15   25      3    8   10   12   13   15   17   22   25   30   33   37   42   45   46   48   49   52   55   57 
LCS_GDT     V    97_F     V    97_A     11   15   25      7    9   11   13   13   15   17   22   25   30   33   37   42   45   46   48   49   52   55   57 
LCS_GDT     A    98_F     A    98_A     11   15   25      3    9   11   13   13   15   15   19   25   28   31   37   41   45   46   48   49   52   55   57 
LCS_GDT     T    99_F     T    99_A     11   15   25      7    9   11   13   13   15   15   18   25   28   33   37   42   45   46   48   49   52   55   57 
LCS_GDT     A   100_F     A   100_A     11   15   25      7    9   11   13   13   15   15   19   25   28   33   37   42   45   46   48   49   52   55   57 
LCS_GDT     D   101_F     D   101_A     11   15   25      7    9   11   13   13   15   15   16   18   26   32   36   38   41   46   48   49   52   55   57 
LCS_GDT     E   102_F     E   102_A     11   15   25      7    9   11   13   13   15   17   22   25   30   32   36   38   41   46   48   49   52   55   57 
LCS_GDT     A   103_F     A   103_A     11   15   25      7    9   11   13   13   15   17   22   25   30   32   36   38   41   46   48   49   52   55   57 
LCS_GDT     K   104_F     K   104_A     11   15   25      7    9   11   13   13   15   17   22   25   30   32   36   38   41   46   48   49   52   55   57 
LCS_GDT     K   105_F     K   105_A     11   15   25      5    9   11   13   13   15   15   22   25   30   32   36   38   41   46   48   49   52   54   57 
LCS_GDT     W   106_F     W   106_A     11   15   25      5    9   11   13   13   15   15   22   25   30   32   36   38   41   46   48   49   52   55   57 
LCS_GDT     E   107_F     E   107_A     11   15   25      5    9   11   13   13   15   15   18   25   30   32   36   38   41   46   48   49   52   54   57 
LCS_GDT     N   108_F     N   108_A      4   15   25      4    4    7   13   13   15   15   16   25   30   32   36   38   41   46   48   49   51   54   57 
LCS_GDT     C   109_F     C   109_A      4   15   25      4    4    7   13   13   15   15   16   21   30   32   36   38   41   46   48   49   52   54   57 
LCS_GDT     D   110_F     D   110_A      3   15   25      0    3    3    5   10   15   15   16   17   20   26   29   31   40   42   42   47   51   53   57 
LCS_GDT     A   111_F     A   111_A      3    3   25      0    3    4    4    6    9   15   18   19   24   28   32   37   40   44   46   48   51   54   57 
LCS_GDT     T   112_F     T   112_A      3    3   25      1    3    4    5    6   13   15   18   25   28   31   36   38   41   46   48   49   52   54   57 
LCS_GDT     L   113_F     L   113_A      3    3   23      0    3    7    9   10   13   14   18   25   28   31   34   38   41   46   48   49   52   55   57 
LCS_GDT     T   114_F     T   114_A      3    4   23      0    3    7    9   10   13   14   16   19   20   22   23   33   39   41   42   46   50   54   57 
LCS_GDT     G   115_F     G   115_A      3    6   23      3    3    3    5    7    8   10   16   19   20   22   24   26   29   36   40   47   50   51   53 
LCS_GDT     L   116_F     L   116_A      3    6   11      3    3    6   10   11   16   23   24   34   36   38   40   41   43   45   46   48   51   54   57 
LCS_GDT     Q   117_F     Q   117_A      3    6   11      3    3    4    5    7    7   10   28   34   37   38   40   41   43   45   46   48   52   55   57 
LCS_GDT     R   118_F     R   118_A      3    6   11      3   10   16   24   29   31   31   33   34   37   38   40   41   43   45   46   49   52   55   57 
LCS_GDT     I   119_F     I   119_A      3    6   11      0    3    4    5    7   14   27   29   33   37   38   40   42   45   46   48   49   52   55   56 
LCS_GDT     I   120_F     I   120_A      3    6   11      0    3    4    5    6   10   19   27   33   37   38   40   42   45   46   48   49   52   55   56 
LCS_AVERAGE  LCS_A:  14.92  (   7.06   12.28   25.42 )

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     10     17     20     24     29     31     31     33     34     37     38     40     42     45     46     48     49     52     55     57 
GDT PERCENT_AT   8.06  13.71  16.13  19.35  23.39  25.00  25.00  26.61  27.42  29.84  30.65  32.26  33.87  36.29  37.10  38.71  39.52  41.94  44.35  45.97
GDT RMS_LOCAL    0.22   0.65   0.93   1.23   1.62   1.74   1.74   2.05   2.17   2.61   2.74   3.15   4.51   4.77   4.82   5.09   5.23   5.56   6.28   6.23
GDT RMS_ALL_AT  15.75  15.45  15.40  15.49  15.83  15.83  15.83  15.88  15.90  16.02  15.76  16.37  15.93  15.91  15.91  15.75  15.68  15.56  16.04  17.38

# Checking swapping
#   possible swapping detected:  E    23_F      E    23_A
#   possible swapping detected:  F    31_F      F    31_A
#   possible swapping detected:  F    84_F      F    84_A
#   possible swapping detected:  E   107_F      E   107_A
#   possible swapping detected:  D   110_F      D   110_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_F      M     1_A    28.072     0    0.110   0.901    30.664    0.000    0.000
LGA    F     2_F      F     2_A    27.776     0    0.413   1.520    29.445    0.000    0.000
LGA    T     3_F      T     3_A    30.834     0    0.147   1.086    34.174    0.000    0.000
LGA    G     4_F      G     4_A    30.169     0    0.069   0.069    30.169    0.000    0.000
LGA    W     5_F      W     5_A    26.446     0    0.071   1.327    29.997    0.000    0.000
LGA    S     6_F      S     6_A    25.737     0    0.062   0.800    25.847    0.000    0.000
LGA    P     7_F      P     7_A    23.547     0    0.362   0.470    27.192    0.000    0.000
LGA    F     8_F      F     8_A    18.075     0    0.065   1.555    19.570    0.000    0.000
LGA    K     9_F      K     9_A    17.115     0    0.050   0.454    24.111    0.000    0.000
LGA    Y    10_F      Y    10_A    13.932     0    0.059   1.239    16.732    0.000    0.000
LGA    S    11_F      S    11_A    16.345     0    0.506   0.723    18.389    0.000    0.000
LGA    K    12_F      K    12_A    16.985     0    0.674   0.529    21.137    0.000    0.000
LGA    G    13_F      G    13_A    17.175     0    0.202   0.202    17.706    0.000    0.000
LGA    N    14_F      N    14_A    18.129     0    0.053   0.112    22.814    0.000    0.000
LGA    T    15_F      T    15_A    16.028     0    0.010   0.195    18.374    0.000    0.000
LGA    V    16_F      V    16_A    14.942     0    0.116   1.088    14.942    0.000    0.000
LGA    T    17_F      T    17_A    16.159     0    0.088   0.085    17.693    0.000    0.000
LGA    F    18_F      F    18_A    16.073     0    0.085   1.255    17.804    0.000    0.260
LGA    K    19_F      K    19_A    20.698     0    0.134   0.957    26.437    0.000    0.000
LGA    T    20_F      T    20_A    21.096     0    0.066   1.102    22.913    0.000    0.000
LGA    P    21_F      P    21_A    23.467     0    0.607   0.561    24.027    0.000    0.000
LGA    D    22_F      D    22_A    26.016     0    0.574   1.207    30.587    0.000    0.000
LGA    E    23_F      E    23_A    23.491     0    0.314   0.932    24.189    0.000    0.000
LGA    S    24_F      S    24_A    23.953     0    0.624   0.559    24.619    0.000    0.000
LGA    S    25_F      S    25_A    23.554     0    0.600   0.764    25.670    0.000    0.000
LGA    I    26_F      I    26_A    17.855     0    0.235   1.335    20.178    0.000    0.000
LGA    A    27_F      A    27_A    19.228     0    0.117   0.130    21.822    0.000    0.000
LGA    Y    28_F      Y    28_A    16.954     0    0.195   0.487    24.272    0.000    0.000
LGA    M    29_F      M    29_A    12.277     0    0.292   0.390    13.927    0.000    0.238
LGA    R    30_F      R    30_A     8.647     0    0.396   1.379    19.096    8.333    3.074
LGA    F    31_F      F    31_A     2.778     0    0.686   1.141     5.012   55.238   52.597
LGA    R    32_F      R    32_A     1.087     0    0.634   0.860     5.290   68.452   57.403
LGA    N    33_F      N    33_A     1.735     0    0.253   0.515     2.722   71.071   68.929
LGA    C    34_F      C    34_A     2.175     0    0.077   0.861     3.714   72.976   65.397
LGA    V    35_F      V    35_A     1.822     0    0.034   0.046     2.898   64.881   64.830
LGA    F    36_F      F    36_A     2.354     0    0.048   1.002     7.888   70.952   41.905
LGA    T    37_F      T    37_A     1.886     0    0.029   0.129     2.428   68.810   68.231
LGA    F    38_F      F    38_A     1.557     0    0.070   1.090     6.714   79.405   52.727
LGA    T    39_F      T    39_A     1.348     0    0.116   1.041     3.063   77.143   73.265
LGA    D    40_F      D    40_A     2.538     0    0.020   0.076     2.814   60.952   59.048
LGA    P    41_F      P    41_A     3.163     0    0.031   0.146     3.880   50.000   48.095
LGA    K    42_F      K    42_A     3.184     0    0.032   0.323     5.921   53.571   41.534
LGA    G    43_F      G    43_A     1.935     0    0.052   0.052     2.284   70.833   70.833
LGA    S    44_F      S    44_A     2.200     0    0.019   0.726     3.394   68.810   65.000
LGA    L    45_F      L    45_A     1.485     0    0.047   1.275     3.045   77.143   71.250
LGA    H    46_F      H    46_A     1.238     0    0.038   0.080     2.617   83.690   74.857
LGA    S    47_F      S    47_A     1.010     0    0.057   0.675     1.642   81.429   83.095
LGA    I    48_F      I    48_A     1.239     0    0.039   1.205     4.109   88.214   72.083
LGA    D    49_F      D    49_A     0.615     0    0.064   0.297     1.351   88.214   89.405
LGA    V    50_F      V    50_A     1.541     0    0.062   0.062     2.343   77.143   71.837
LGA    T    51_F      T    51_A     0.840     0    0.034   1.138     2.184   90.595   83.197
LGA    E    52_F      E    52_A     0.873     0    0.039   1.032     6.164   90.476   65.661
LGA    V    53_F      V    53_A     1.190     0    0.080   0.074     1.639   83.690   80.272
LGA    L    54_F      L    54_A     0.829     0    0.027   0.067     1.241   92.857   88.274
LGA    N    55_F      N    55_A     0.447     0    0.045   0.825     2.975   92.857   83.095
LGA    N    56_F      N    56_A     1.024     0    0.013   0.042     1.877   83.690   80.417
LGA    M    57_F      M    57_A     2.104     0    0.028   0.696     5.168   66.786   53.333
LGA    A    58_F      A    58_A     2.377     0    0.011   0.016     2.534   62.857   63.238
LGA    K    59_F      K    59_A     1.542     0    0.116   1.346     8.112   75.000   56.614
LGA    G    60_F      G    60_A     1.781     0    0.254   0.254     2.435   72.976   72.976
LGA    F    61_F      F    61_A     4.754     0    0.225   1.262     5.637   31.905   38.701
LGA    R    62_F      R    62_A     5.278     0    0.132   1.048    11.018   26.310   12.554
LGA    D    63_F      D    63_A     3.998     0    0.178   0.261     4.568   35.833   38.810
LGA    A    64_F      A    64_A     6.604     0    0.036   0.040     8.215   12.857   11.714
LGA    Q    65_F      Q    65_A     9.638     0    0.249   1.037    13.038    1.310    4.074
LGA    N    66_F      N    66_A    13.682     0    0.553   1.284    18.959    0.000    0.000
LGA    P    67_F      P    67_A    14.551     0    0.036   0.052    15.490    0.000    0.000
LGA    P    68_F      P    68_A    16.787     0    0.524   0.533    18.076    0.000    0.000
LGA    S    69_F      S    69_A    18.842     0    0.095   0.647    22.347    0.000    0.000
LGA    S    70_F      S    70_A    13.454     0    0.129   0.605    15.061    0.000    0.000
LGA    F    71_F      F    71_A    10.145     0    0.115   1.218    10.933    1.905    0.866
LGA    T    72_F      T    72_A     8.084     0    0.096   0.116     9.675    5.238    3.946
LGA    L    73_F      L    73_A     5.568     0    0.107   1.274     5.908   22.619   25.060
LGA    G    74_F      G    74_A     7.453     0    0.506   0.506    10.122    5.952    5.952
LGA    G    75_F      G    75_A    13.727     0    0.036   0.036    15.007    0.000    0.000
LGA    H    76_F      H    76_A    19.002     0    0.604   1.015    20.965    0.000    0.000
LGA    C    77_F      C    77_A    19.231     0    0.404   0.654    19.231    0.000    0.000
LGA    Q    78_F      Q    78_A    19.178     0    0.290   1.302    24.248    0.000    0.000
LGA    A    79_F      A    79_A    18.968     0    0.259   0.355    19.622    0.000    0.000
LGA    P    80_F      P    80_A    15.624     0    0.643   0.660    18.188    0.000    0.000
LGA    L    81_F      L    81_A    11.780     0    0.088   0.780    13.993    0.000    0.000
LGA    N    82_F      N    82_A    11.004     0    0.576   0.977    13.438    0.000    0.000
LGA    A    83_F      A    83_A    11.552     0    0.695   0.636    13.970    0.000    0.000
LGA    F    84_F      F    84_A    11.765     0    0.647   1.118    16.735    0.119    0.043
LGA    S    85_F      S    85_A     8.217     0    0.557   0.823     9.584    2.381    3.571
LGA    F    86_F      F    86_A     9.400     0    0.599   1.373    12.978    1.071   11.558
LGA    V    87_F      V    87_A    13.172     0    0.245   0.295    16.652    0.000    0.000
LGA    L    88_F      L    88_A    18.334     0    0.132   1.409    21.080    0.000    0.000
LGA    P    89_F      P    89_A    23.472     0    0.018   0.027    25.186    0.000    0.000
LGA    G    90_F      G    90_A    25.559     0    0.068   0.068    25.559    0.000    0.000
LGA    V    91_F      V    91_A    21.003     0    0.595   0.832    22.286    0.000    0.000
LGA    N    92_F      N    92_A    16.713     0    0.191   1.289    18.791    0.000    0.000
LGA    D    93_F      D    93_A    12.922     0    0.418   1.179    14.382    0.000    0.000
LGA    R    94_F      R    94_A    15.986     0    0.619   0.902    17.488    0.000    0.000
LGA    A    95_F      A    95_A    21.189     0    0.640   0.606    23.378    0.000    0.000
LGA    T    96_F      T    96_A    21.008     0    0.610   0.542    22.011    0.000    0.000
LGA    V    97_F      V    97_A    21.512     0    0.179   0.170    21.735    0.000    0.000
LGA    A    98_F      A    98_A    23.983     0    0.112   0.117    25.650    0.000    0.000
LGA    T    99_F      T    99_A    25.734     0    0.080   1.100    29.356    0.000    0.000
LGA    A   100_F      A   100_A    25.650     0    0.019   0.025    26.312    0.000    0.000
LGA    D   101_F      D   101_A    28.307     0    0.013   0.780    32.463    0.000    0.000
LGA    E   102_F      E   102_A    25.393     0    0.069   1.413    26.434    0.000    0.000
LGA    A   103_F      A   103_A    22.813     0    0.065   0.070    23.840    0.000    0.000
LGA    K   104_F      K   104_A    25.162     0    0.051   0.688    27.660    0.000    0.000
LGA    K   105_F      K   105_A    24.932     0    0.145   0.622    31.701    0.000    0.000
LGA    W   106_F      W   106_A    20.538     0    0.258   1.230    24.446    0.000    0.000
LGA    E   107_F      E   107_A    21.750     0    0.029   0.682    27.147    0.000    0.000
LGA    N   108_F      N   108_A    22.207     0    0.283   0.296    24.895    0.000    0.000
LGA    C   109_F      C   109_A    19.265     0    0.589   0.596    20.174    0.000    0.000
LGA    D   110_F      D   110_A    18.606     0    0.587   1.179    20.154    0.000    0.000
LGA    A   111_F      A   111_A    18.927     0    0.621   0.604    19.409    0.000    0.000
LGA    T   112_F      T   112_A    14.272     0    0.669   0.621    15.915    0.000    0.000
LGA    L   113_F      L   113_A    10.313     0    0.603   1.366    11.422    0.000    5.476
LGA    T   114_F      T   114_A    13.442     0    0.595   1.391    17.615    0.000    0.000
LGA    G   115_F      G   115_A    12.585     0    0.684   0.684    12.585    0.119    0.119
LGA    L   116_F      L   116_A     7.164     0    0.019   0.184     9.840    9.643    7.083
LGA    Q   117_F      Q   117_A     4.734     0    0.092   0.833     9.886   52.619   30.053
LGA    R   118_F      R   118_A     1.374     0    0.402   1.124     5.219   58.333   44.805
LGA    I   119_F      I   119_A     6.473     0    0.661   1.577    11.395   21.190   11.012
LGA    I   120_F      I   120_A     6.059     0    0.663   1.316     9.198   16.190   13.869

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      120     480    480  100.00     931    931  100.00               124
SUMMARY(RMSD_GDC):    14.332         14.293                 14.532           20.602   18.486

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  120  124    4.0     33    2.05    24.597    22.157     1.536

LGA_LOCAL      RMSD:   2.048  Number of atoms:   33  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  15.879  Number of assigned atoms:  120 
Std_ASGN_ATOMS RMSD:  14.332  Standard rmsd on all 120 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.654211 * X  +  -0.748154 * Y  +  -0.110782 * Z  + -66.942703
  Y_new =   0.470368 * X  +   0.287779 * Y  +   0.834229 * Z  +  -2.218750
  Z_new =  -0.592251 * X  +  -0.597870 * Y  +   0.540176 * Z  +  13.003915 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.623354  0.633850 -0.836050   [DEG:   35.7156   36.3169  -47.9021 ]
ZXZ: -3.009570  1.000150 -2.360915   [DEG: -172.4356   57.3044 -135.2705 ]
 
# END of job
