
#######################################################
#                                                     #
#                        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  103 (  852),  selected  103 , name one
# Molecule2: number of CA atoms  300 ( 2476),  selected  103 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      73_B - 105_B       4.87    23.06
  LONGEST_CONTINUOUS_SEGMENT:    33      74_B - 106_B       4.91    23.16
  LCS_AVERAGE:      9.40

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      38_B - 62_B        1.52    29.02
  LONGEST_CONTINUOUS_SEGMENT:    25      39_B - 63_B        1.73    28.84
  LCS_AVERAGE:      5.04

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      40_B - 62_B        0.91    28.50
  LCS_AVERAGE:      4.07

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  103
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     G    37_A     G    37_B      3    4   30      0    3    3    3    3    5    6    7    8   10   12   13   15   16   17   20   20   27   27   27 
LCS_GDT     G    38_A     G    38_B      3   25   30      3    3    4   17   22   23   24   24   25   25   26   26   26   26   26   26   26   27   28   28 
LCS_GDT     G    39_A     G    39_B      3   25   30      3   17   21   22   23   24   24   24   25   25   26   26   26   26   26   26   26   27   28   28 
LCS_GDT     E    40_A     E    40_B     23   25   30      3    7   22   22   23   24   24   24   25   25   26   26   26   26   26   26   26   27   28   28 
LCS_GDT     S    41_A     S    41_B     23   25   30      3    8   22   22   23   24   24   24   25   25   26   26   26   26   26   26   26   27   28   28 
LCS_GDT     I    42_A     I    42_B     23   25   30      3   15   22   22   23   24   24   24   25   25   26   26   26   26   26   26   26   27   28   28 
LCS_GDT     P    43_A     P    43_B     23   25   30     19   19   22   22   23   24   24   24   25   25   26   26   26   26   26   26   26   27   28   28 
LCS_GDT     L    44_A     L    44_B     23   25   30     19   19   22   22   23   24   24   24   25   25   26   26   26   26   26   26   26   27   28   28 
LCS_GDT     E    45_A     E    45_B     23   25   30     19   19   22   22   23   24   24   24   25   25   26   26   26   26   26   26   26   27   28   28 
LCS_GDT     T    46_A     T    46_B     23   25   30     19   19   22   22   23   24   24   24   25   25   26   26   26   26   26   26   26   27   28   28 
LCS_GDT     F    47_A     F    47_B     23   25   30     19   19   22   22   23   24   24   24   25   25   26   26   26   26   26   26   26   27   28   35 
LCS_GDT     R    48_A     R    48_B     23   25   30     19   19   22   22   23   24   24   24   25   25   26   26   26   26   26   26   26   27   30   35 
LCS_GDT     D    49_A     D    49_B     23   25   30     19   19   22   22   23   24   24   24   25   25   26   26   26   26   26   26   32   34   38   42 
LCS_GDT     M    50_A     M    50_B     23   25   30     19   19   22   22   23   24   24   24   25   25   26   26   26   29   31   33   35   39   41   45 
LCS_GDT     V    51_A     V    51_B     23   25   30     19   19   22   22   23   24   24   24   25   25   26   26   26   29   33   35   39   41   43   45 
LCS_GDT     R    52_A     R    52_B     23   25   30     19   19   22   22   23   24   24   24   25   25   26   26   26   31   35   36   39   41   43   45 
LCS_GDT     R    53_A     R    53_B     23   25   30     19   19   22   22   23   24   24   24   25   25   26   26   28   32   35   36   39   41   43   45 
LCS_GDT     Y    54_A     Y    54_B     23   25   30     19   19   22   22   23   24   24   24   25   25   26   26   28   32   35   36   39   41   43   45 
LCS_GDT     N    55_A     N    55_B     23   25   30     19   19   22   22   23   24   24   24   25   25   26   26   28   32   35   36   39   41   43   45 
LCS_GDT     N    56_A     N    56_B     23   25   30     19   19   22   22   23   24   24   24   25   25   26   26   28   32   35   36   39   41   43   45 
LCS_GDT     F    57_A     F    57_B     23   25   30     19   19   22   22   23   24   24   24   25   25   26   26   28   32   35   36   39   41   43   45 
LCS_GDT     K    58_A     K    58_B     23   25   30     19   19   22   22   23   24   24   24   25   25   26   26   28   32   35   36   39   41   43   45 
LCS_GDT     D    59_A     D    59_B     23   25   30     19   19   22   22   23   24   24   24   25   25   26   26   26   26   26   33   39   41   43   45 
LCS_GDT     R    60_A     R    60_B     23   25   30     19   19   22   22   23   24   24   24   25   25   26   26   26   26   26   26   26   27   28   28 
LCS_GDT     Y    61_A     Y    61_B     23   25   30     19   19   22   22   23   24   24   24   25   25   26   26   26   26   26   26   26   27   28   41 
LCS_GDT     G    62_A     G    62_B     23   25   30      3    4   21   22   23   24   24   24   25   25   26   26   26   26   26   26   26   27   28   41 
LCS_GDT     R    63_A     R    63_B      4   25   30      3    3    4    9   13   16   21   21   24   25   26   26   26   26   26   26   26   27   28   28 
LCS_GDT     E    64_A     E    64_B      4    7   30      3    3    5    6    7    7    9   10   11   12   15   17   20   21   23   25   26   27   28   28 
LCS_GDT     P    65_A     P    65_B      3    7   30      3    3    3    5    7    7    9   10   11   12   15   15   15   17   19   23   24   26   28   28 
LCS_GDT     R    66_A     R    66_B      5    7   30      3    4    5    6    7    7    9   10   11   12   15   15   15   17   18   21   23   24   25   27 
LCS_GDT     I    67_A     I    67_B      5    7   17      3    4    5    6    7    7    9   10   11   12   15   15   15   17   17   19   21   23   24   25 
LCS_GDT     V    68_A     V    68_B      5    7   17      3    4    5    6    7    7    9   10   11   12   15   17   18   21   23   27   29   33   35   39 
LCS_GDT     Y    69_A     Y    69_B      5    7   17      3    4    5    6    7    7    9   10   12   13   15   18   20   21   24   30   31   35   38   41 
LCS_GDT     V    70_A     V    70_B      5    7   17      3    4    5    6    7    7    9   10   12   13   15   19   21   26   30   34   37   41   44   45 
LCS_GDT     T    71_A     T    71_B      3    5   17      3    3    4    5    6    6    8   11   13   17   21   25   30   32   38   41   41   43   44   45 
LCS_GDT     P    72_A     P    72_B      3    5   13      3    3    4    5    6    6    8    9   10   13   14   17   22   28   32   37   41   43   44   46 
LCS_GDT     P    73_A     P    73_B      4    5   33      4    4    4    5    6    6   10   12   14   16   26   30   33   38   39   41   42   43   44   47 
LCS_GDT     E    74_A     E    74_B      4    5   33      4    4    4    5    5    7   14   17   22   25   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     P    75_A     P    75_B      4    5   33      4    4    4    5    5    6    8   12   16   23   28   32   34   38   39   41   42   43   46   47 
LCS_GDT     P    76_A     P    76_B      4    5   33      4    4    4    5    5    8   14   16   21   25   29   31   34   38   39   41   42   43   46   47 
LCS_GDT     V    77_A     V    77_B      4    5   33      3    4    4    5    5    6    9   12   15   17   22   26   31   36   38   41   42   43   46   47 
LCS_GDT     P    78_A     P    78_B      4    4   33      3    4    4    4    7    9   14   17   22   25   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     E    79_A     E    79_B      5    5   33      4    5    5    7   11   14   21   22   26   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     V    80_A     V    80_B      5    5   33      4    5    5    5    5    5    6    6   10   11   13   17   20   29   36   38   42   43   46   47 
LCS_GDT     N    81_A     N    81_B      5    5   33      4    5    5    5    5    5    6    6   10   13   20   23   34   36   39   41   42   43   46   47 
LCS_GDT     E    82_A     E    82_B      5    5   33      4    5   15   16   17   19   21   23   26   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     N    83_A     N    83_B      5   17   33      3    5   10   14   15   17   20   23   26   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     T    84_A     T    84_B      4   17   33      3    5    6    8   13   14   18   21   22   26   28   32   34   38   39   41   42   43   46   47 
LCS_GDT     P    85_A     P    85_B      4   17   33      3    4    6    9   13   15   20   23   26   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     E    86_A     E    86_B     15   17   33      4    7   13   15   17   19   21   23   26   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     Y    87_A     Y    87_B     15   17   33      4    8   14   16   17   19   21   23   26   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     V    88_A     V    88_B     15   17   33      5   14   15   16   17   19   21   23   26   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     S    89_A     S    89_B     15   17   33     11   14   15   16   17   19   21   23   26   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     I    90_A     I    90_B     15   17   33     11   14   15   16   17   19   21   23   26   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     T    91_A     T    91_B     15   17   33     11   14   15   16   17   19   21   23   26   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     Q    92_A     Q    92_B     15   17   33     11   14   15   16   17   19   21   23   26   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     F    93_A     F    93_B     15   17   33     11   14   15   16   17   19   21   23   26   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     K    94_A     K    94_B     15   17   33     10   14   15   16   17   19   21   23   26   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     D    95_A     D    95_B     15   17   33     11   14   15   16   18   19   21   23   26   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     M    96_A     M    96_B     15   17   33     11   14   15   16   17   19   21   23   26   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     L    97_A     L    97_B     15   17   33     11   14   15   16   19   19   21   23   26   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     S    98_A     S    98_B     15   17   33     11   14   15   16   17   19   21   23   26   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     R    99_A     R    99_B     15   17   33     11   14   15   16   17   19   21   23   26   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     Y   100_A     Y   100_B     15   17   33     11   14   15   16   17   19   21   23   26   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     N   101_A     N   101_B     15   17   33      4   14   15   16   17   19   20   23   26   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     R   102_A     R   102_B      4   17   33      3    4    4    5    6   17   21   22   26   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     F   103_A     F   103_B      4    5   33      4    4    4    5   11   15   19   22   24   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     K   104_A     K   104_B      4    5   33      4    4    5    6   11   14   18   22   24   27   29   31   34   38   39   41   42   43   46   47 
LCS_GDT     E   105_A     E   105_B      5    6   33      4    4    5    5    5    6    7   11   14   16   18   23   33   36   38   38   41   43   46   47 
LCS_GDT     V   106_A     V   106_B      5    6   33      4    4    5    5    5    6    7   11   14   16   19   23   33   36   38   38   41   43   46   47 
LCS_GDT     N   107_A     N   107_B      5    6   27      4    4    5    5    5    6    8   11   14   16   18   22   26   32   35   36   39   43   46   47 
LCS_GDT     G   108_A     G   108_B      5    6   18      4    4    5    5    5    5    7    8   12   16   19   22   24   28   28   36   39   41   43   45 
LCS_GDT     R   109_A     R   109_B      5    6   18      4    4    5    5    5    8   10   12   13   18   22   25   28   32   35   36   39   42   44   46 
LCS_GDT     E   110_A     E   110_B      3    6   18      3    3    5    6    7    8   10   12   15   18   22   25   33   36   38   38   40   43   46   47 
LCS_GDT     P   111_A     P   111_B      3    4   18      3    3    5    6    7    8   10   12   13   18   22   25   28   34   38   38   40   43   46   47 
LCS_GDT     R   112_A     R   112_B      3    4   18      3    3    5    6    7    8   10   12   13   18   22   25   28   32   35   36   39   41   44   46 
LCS_GDT     V   113_A     V   113_B      3    4   18      3    4    4    5    6    6    8    9   13   18   22   25   28   32   35   36   39   41   43   46 
LCS_GDT     V   114_A     V   114_B      3    4   24      1    4    4    5    6    7    9   10   13   16   21   25   28   32   35   36   39   42   45   47 
LCS_GDT     F   115_A     F   115_B      4    4   25      3    4    4    5    6    7    9   11   14   18   22   25   28   32   35   36   39   41   43   46 
LCS_GDT     I   116_A     I   116_B      4    5   25      3    3    4    4    5    8   11   16   18   19   21   22   24   27   31   34   37   39   43   45 
LCS_GDT     Y   117_A     Y   117_B      4    5   25      3    3    4    4    5    6    8   11   14   16   19   22   24   27   30   34   37   39   43   45 
LCS_GDT     S   118_A     S   118_B      4    6   25      3    4    4    5    6    8    9   10   13   16   17   19   23   26   28   32   37   39   43   45 
LCS_GDT     G   119_A     G   119_B      3    6   25      3    3    3    5    6    8    9    9   13   16   17   19   24   26   27   32   36   38   41   45 
LCS_GDT     G   120_A     G   120_B      3    6   25      0    3    3    5    6    8   11   16   18   19   20   22   24   26   28   32   36   39   43   45 
LCS_GDT     G   121_A     G   121_B      3   19   25      1    3    3    5    6   14   18   19   20   23   23   25   25   30   33   35   39   41   43   45 
LCS_GDT     P   122_A     P   122_B     16   19   25      3    7   14   16   19   19   20   21   23   23   24   25   28   31   35   36   39   41   43   45 
LCS_GDT     S   123_A     S   123_B     17   19   25      5   14   16   17   19   19   20   21   23   23   24   25   28   32   35   36   39   42   46   47 
LCS_GDT     V   124_A     V   124_B     17   19   25      7   14   16   17   19   19   20   21   23   23   27   31   33   38   39   41   42   43   46   47 
LCS_GDT     S   125_A     S   125_B     17   19   25      9   15   16   17   19   19   20   21   23   23   24   29   33   38   39   41   42   43   46   47 
LCS_GDT     L   126_A     L   126_B     17   19   25      9   15   16   17   19   19   20   21   23   23   24   26   32   38   39   41   42   43   46   47 
LCS_GDT     E   127_A     E   127_B     17   19   25      9   15   16   17   19   19   20   21   23   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     T   128_A     T   128_B     17   19   25      9   15   16   17   19   19   21   22   26   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     F   129_A     F   129_B     17   19   25      9   15   16   17   19   19   21   23   26   27   29   32   34   38   39   41   42   43   46   47 
LCS_GDT     K   130_A     K   130_B     17   19   25      9   15   16   17   19   19   20   23   26   27   28   32   34   38   39   41   42   43   46   47 
LCS_GDT     D   131_A     D   131_B     17   19   25      9   15   16   17   19   19   21   23   26   27   28   32   34   38   39   41   42   43   46   47 
LCS_GDT     M   132_A     M   132_B     17   19   25      9   15   16   17   19   19   20   23   26   27   28   32   34   38   39   41   42   43   46   47 
LCS_GDT     C   133_A     C   133_B     17   19   25      8   15   16   17   19   19   20   21   24   26   28   29   32   35   37   39   42   43   44   46 
LCS_GDT     K   134_A     K   134_B     17   19   25      8   15   16   17   19   19   20   21   24   26   27   28   30   35   37   38   40   43   44   46 
LCS_GDT     R   135_A     R   135_B     17   19   25      9   15   16   17   19   19   20   21   23   24   26   27   29   32   34   38   40   43   44   46 
LCS_GDT     Y   136_A     Y   136_B     17   19   25      8   15   16   17   19   19   20   21   23   24   26   27   29   30   32   34   40   43   44   46 
LCS_GDT     N   137_A     N   137_B     17   19   25      5   15   16   17   19   19   20   21   23   23   26   27   29   30   30   33   35   41   43   45 
LCS_GDT     Q   138_A     Q   138_B     17   19   25      5   15   16   17   19   19   20   21   23   24   26   27   29   30   30   33   35   41   43   45 
LCS_GDT     F   139_A     F   139_B     17   19   25      5   15   16   17   19   19   20   21   23   23   24   25   25   26   28   31   34   38   42   45 
LCS_AVERAGE  LCS_A:   6.17  (   4.07    5.04    9.40 )

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     19     19     22     22     23     24     24     24     26     27     29     32     34     38     39     41     42     43     46     47 
GDT PERCENT_AT   6.33   6.33   7.33   7.33   7.67   8.00   8.00   8.00   8.67   9.00   9.67  10.67  11.33  12.67  13.00  13.67  14.00  14.33  15.33  15.67
GDT RMS_LOCAL    0.31   0.31   0.80   0.73   0.86   1.09   1.09   1.09   2.82   3.02   3.71   3.88   4.10   4.64   4.74   5.16   5.16   5.69   6.12   6.18
GDT RMS_ALL_AT  29.06  29.06  28.53  28.94  28.83  28.62  28.62  28.62  25.91  25.69  23.60  24.35  24.06  23.42  23.39  22.63  23.37  23.54  23.70  23.18

# Checking swapping
#   possible swapping detected:  E    40_A      E    40_B
#   possible swapping detected:  Y    54_A      Y    54_B
#   possible swapping detected:  F    57_A      F    57_B
#   possible swapping detected:  Y    87_A      Y    87_B
#   possible swapping detected:  F    93_A      F    93_B
#   possible swapping detected:  D    95_A      D    95_B
#   possible swapping detected:  E   110_A      E   110_B
#   possible swapping detected:  E   127_A      E   127_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    37_A      G    37_B    12.587     0    0.243   0.243    12.607    0.476    0.476
LGA    G    38_A      G    38_B     6.468     0    0.694   0.694     8.969   19.405   19.405
LGA    G    39_A      G    39_B     2.502     0    0.395   0.395     4.040   64.286   64.286
LGA    E    40_A      E    40_B     2.913     0    0.604   1.035    11.793   65.119   32.434
LGA    S    41_A      S    41_B     1.738     0    0.074   0.700     2.427   77.143   73.016
LGA    I    42_A      I    42_B     1.381     0    0.005   0.728     5.069   81.548   69.405
LGA    P    43_A      P    43_B     0.907     0    0.136   0.161     1.620   90.476   85.374
LGA    L    44_A      L    44_B     0.897     0    0.118   1.401     5.261   92.857   71.548
LGA    E    45_A      E    45_B     0.600     0    0.121   0.922     2.338   92.857   81.005
LGA    T    46_A      T    46_B     0.640     0    0.017   0.096     0.798   90.476   90.476
LGA    F    47_A      F    47_B     0.330     0    0.045   0.163     0.981   97.619   95.671
LGA    R    48_A      R    48_B     0.194     0    0.040   1.430     6.803  100.000   75.281
LGA    D    49_A      D    49_B     0.284     0    0.057   0.464     1.795   97.619   93.036
LGA    M    50_A      M    50_B     0.743     0    0.027   0.822     4.804   92.857   74.643
LGA    V    51_A      V    51_B     0.144     0    0.032   0.105     0.455  100.000  100.000
LGA    R    52_A      R    52_B     0.400     0    0.014   0.137     1.541   97.619   89.870
LGA    R    53_A      R    53_B     0.602     0    0.042   0.537     1.349   90.476   90.563
LGA    Y    54_A      Y    54_B     0.430     0    0.006   0.190     3.064  100.000   80.873
LGA    N    55_A      N    55_B     0.289     0    0.059   0.090     0.734  100.000   96.429
LGA    N    56_A      N    56_B     0.577     0    0.018   0.131     1.091   97.619   92.917
LGA    F    57_A      F    57_B     0.452     0    0.044   1.152     6.553  100.000   62.857
LGA    K    58_A      K    58_B     0.178     0    0.031   0.670     2.441  100.000   86.138
LGA    D    59_A      D    59_B     0.466     0    0.063   0.910     4.630   95.238   76.250
LGA    R    60_A      R    60_B     0.402     0    0.300   0.831     4.032   88.452   82.121
LGA    Y    61_A      Y    61_B     0.398     0    0.603   1.455     4.993   84.643   68.571
LGA    G    62_A      G    62_B     1.887     0    0.363   0.363     5.174   55.952   55.952
LGA    R    63_A      R    63_B     7.221     0    0.563   1.331    15.182   12.143    5.108
LGA    E    64_A      E    64_B    12.829     0    0.558   0.781    18.311    0.000    0.000
LGA    P    65_A      P    65_B    13.864     0    0.671   0.756    16.256    0.000    0.000
LGA    R    66_A      R    66_B    17.119     0    0.644   1.346    18.573    0.000    0.823
LGA    I    67_A      I    67_B    20.819     0    0.053   1.305    27.812    0.000    0.000
LGA    V    68_A      V    68_B    19.658     0    0.137   0.944    24.157    0.000    0.000
LGA    Y    69_A      Y    69_B    24.972     0    0.629   1.395    27.523    0.000    0.000
LGA    V    70_A      V    70_B    28.499     0    0.620   0.610    32.494    0.000    0.000
LGA    T    71_A      T    71_B    31.841     0    0.371   0.971    32.930    0.000    0.000
LGA    P    72_A      P    72_B    36.297     0    0.732   0.645    38.815    0.000    0.000
LGA    P    73_A      P    73_B    36.578     0    0.710   0.693    38.977    0.000    0.000
LGA    E    74_A      E    74_B    33.884     0    0.116   0.747    34.385    0.000    0.000
LGA    P    75_A      P    75_B    34.511     0    0.152   0.242    35.901    0.000    0.000
LGA    P    76_A      P    76_B    31.587     0    0.099   0.274    36.040    0.000    0.000
LGA    V    77_A      V    77_B    30.120     0    0.625   0.757    32.328    0.000    0.000
LGA    P    78_A      P    78_B    35.230     0    0.559   0.787    36.679    0.000    0.000
LGA    E    79_A      E    79_B    36.346     0    0.570   0.913    38.567    0.000    0.000
LGA    V    80_A      V    80_B    36.577     0    0.092   1.173    37.540    0.000    0.000
LGA    N    81_A      N    81_B    34.867     0    0.061   1.045    36.309    0.000    0.000
LGA    E    82_A      E    82_B    39.431     0    0.630   1.111    42.708    0.000    0.000
LGA    N    83_A      N    83_B    44.144     0    0.428   0.445    48.676    0.000    0.000
LGA    T    84_A      T    84_B    43.091     0    0.227   1.120    44.622    0.000    0.000
LGA    P    85_A      P    85_B    42.325     0    0.633   0.549    43.543    0.000    0.000
LGA    E    86_A      E    86_B    43.116     0    0.117   0.219    46.720    0.000    0.000
LGA    Y    87_A      Y    87_B    39.469     0    0.076   1.196    40.579    0.000    0.000
LGA    V    88_A      V    88_B    34.987     0    0.054   1.024    36.605    0.000    0.000
LGA    S    89_A      S    89_B    34.404     0    0.036   0.108    34.404    0.000    0.000
LGA    I    90_A      I    90_B    34.409     0    0.033   0.591    36.962    0.000    0.000
LGA    T    91_A      T    91_B    32.564     0    0.025   0.052    33.237    0.000    0.000
LGA    Q    92_A      Q    92_B    31.712     0    0.016   1.161    33.898    0.000    0.000
LGA    F    93_A      F    93_B    31.887     0    0.019   1.540    37.357    0.000    0.000
LGA    K    94_A      K    94_B    32.589     0    0.098   1.011    38.990    0.000    0.000
LGA    D    95_A      D    95_B    31.913     0    0.036   1.361    33.586    0.000    0.000
LGA    M    96_A      M    96_B    31.546     0    0.057   0.803    35.298    0.000    0.000
LGA    L    97_A      L    97_B    31.491     0    0.037   0.852    33.720    0.000    0.000
LGA    S    98_A      S    98_B    32.588     0    0.016   0.086    33.512    0.000    0.000
LGA    R    99_A      R    99_B    32.871     0    0.059   1.185    35.622    0.000    0.000
LGA    Y   100_A      Y   100_B    32.316     0    0.362   1.637    40.019    0.000    0.000
LGA    N   101_A      N   101_B    33.118     0    0.161   0.264    36.325    0.000    0.000
LGA    R   102_A      R   102_B    29.112     0    0.184   1.112    30.062    0.000    0.000
LGA    F   103_A      F   103_B    29.304     0    0.572   1.462    33.441    0.000    0.000
LGA    K   104_A      K   104_B    31.585     0    0.057   0.706    35.652    0.000    0.000
LGA    E   105_A      E   105_B    35.111     0    0.255   0.961    38.899    0.000    0.000
LGA    V   106_A      V   106_B    37.424     0    0.035   0.131    41.591    0.000    0.000
LGA    N   107_A      N   107_B    40.576     0    0.659   0.935    42.234    0.000    0.000
LGA    G   108_A      G   108_B    45.254     0    0.183   0.183    46.298    0.000    0.000
LGA    R   109_A      R   109_B    42.291     0    0.570   1.318    43.096    0.000    0.000
LGA    E   110_A      E   110_B    36.006     0    0.577   1.272    38.528    0.000    0.000
LGA    P   111_A      P   111_B    34.566     0    0.668   0.599    35.814    0.000    0.000
LGA    R   112_A      R   112_B    36.874     0    0.073   1.449    45.293    0.000    0.000
LGA    V   113_A      V   113_B    30.138     0    0.595   1.464    32.437    0.000    0.000
LGA    V   114_A      V   114_B    26.678     0    0.627   0.578    27.783    0.000    0.000
LGA    F   115_A      F   115_B    26.624     0    0.672   1.409    31.882    0.000    0.000
LGA    I   116_A      I   116_B    24.954     0    0.099   0.623    25.778    0.000    0.000
LGA    Y   117_A      Y   117_B    21.544     0    0.156   1.333    23.415    0.000    0.000
LGA    S   118_A      S   118_B    25.455     0    0.499   0.649    25.455    0.000    0.000
LGA    G   119_A      G   119_B    26.716     0    0.656   0.656    27.293    0.000    0.000
LGA    G   120_A      G   120_B    29.293     0    0.620   0.620    30.462    0.000    0.000
LGA    G   121_A      G   121_B    29.848     0    0.509   0.509    34.249    0.000    0.000
LGA    P   122_A      P   122_B    32.253     0    0.512   0.504    33.344    0.000    0.000
LGA    S   123_A      S   123_B    35.746     0    0.095   0.686    39.367    0.000    0.000
LGA    V   124_A      V   124_B    36.789     0    0.044   0.104    38.502    0.000    0.000
LGA    S   125_A      S   125_B    40.496     0    0.099   0.192    41.930    0.000    0.000
LGA    L   126_A      L   126_B    40.519     0    0.038   0.128    43.350    0.000    0.000
LGA    E   127_A      E   127_B    40.581     0    0.022   1.018    42.991    0.000    0.000
LGA    T   128_A      T   128_B    37.390     0    0.052   1.083    38.984    0.000    0.000
LGA    F   129_A      F   129_B    35.834     0    0.061   0.222    36.715    0.000    0.000
LGA    K   130_A      K   130_B    36.785     0    0.022   1.051    38.185    0.000    0.000
LGA    D   131_A      D   131_B    35.867     0    0.029   0.909    38.245    0.000    0.000
LGA    M   132_A      M   132_B    32.335     0    0.033   0.726    33.785    0.000    0.000
LGA    C   133_A      C   133_B    32.075     0    0.020   0.057    33.001    0.000    0.000
LGA    K   134_A      K   134_B    33.326     0    0.028   0.205    37.986    0.000    0.000
LGA    R   135_A      R   135_B    31.592     0    0.038   1.408    33.415    0.000    0.000
LGA    Y   136_A      Y   136_B    28.086     0    0.035   1.325    29.487    0.000    0.000
LGA    N   137_A      N   137_B    28.401     0    0.146   0.176    30.258    0.000    0.000
LGA    Q   138_A      Q   138_B    30.012     0    0.193   0.236    34.403    0.000    0.000
LGA    F   139_A      F   139_B    27.426     0    0.593   0.689    28.242    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      103     412    412  100.00     852    852  100.00               300
SUMMARY(RMSD_GDC):    14.216         14.214                 14.825            7.283    6.382

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  103  300    4.0     24    1.09     8.833     7.846     2.023

LGA_LOCAL      RMSD:   1.086  Number of atoms:   24  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  28.619  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:  14.216  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.470607 * X  +   0.780093 * Y  +   0.412292 * Z  + -100.187500
  Y_new =  -0.074171 * X  +   0.500591 * Y  +  -0.862501 * Z  +  48.306377
  Z_new =  -0.879220 * X  +   0.375319 * Y  +   0.293442 * Z  + -10.029123 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.156321  1.074222  0.907222   [DEG:   -8.9566   61.5484   51.9800 ]
ZXZ:  0.445909  1.272971 -1.167337   [DEG:   25.5487   72.9359  -66.8835 ]
 
# END of job
