
#######################################################
#                                                     #
#                        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  104 (  817),  selected  104 , name one
# Molecule2: number of CA atoms  207 ( 1517),  selected  104 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    39      57_B - 95_B        4.80    42.93
  LONGEST_CONTINUOUS_SEGMENT:    39      58_B - 96_B        4.76    42.74
  LCS_AVERAGE:     14.74

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      63_B - 92_B        1.91    41.65
  LCS_AVERAGE:      8.64

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19      46_B - 64_B        0.84    42.60
  LONGEST_CONTINUOUS_SEGMENT:    19      47_B - 65_B        0.97    42.63
  LCS_AVERAGE:      5.11

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  104
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     D    43_B     D    43_B      3   23   29      0    3   10   16   20   21   22   22   23   24   25   26   28   28   29   30   31   32   33   35 
LCS_GDT     L    44_B     L    44_B      3   23   29      0    3    4    4    7   15   16   21   23   24   25   26   27   28   29   30   31   31   33   35 
LCS_GDT     S    45_B     S    45_B      3   23   29      0    3    4    9   17   19   22   22   23   24   25   26   28   28   29   30   31   32   33   35 
LCS_GDT     D    46_B     D    46_B     19   23   29      3   15   19   20   20   21   22   22   23   24   25   26   28   28   29   30   31   31   33   35 
LCS_GDT     E    47_B     E    47_B     19   23   29      8   15   19   20   20   21   22   22   23   24   25   26   28   28   29   30   31   32   33   35 
LCS_GDT     Q    48_B     Q    48_B     19   23   29      7   15   19   20   20   21   22   22   23   24   25   26   28   28   29   30   31   32   33   35 
LCS_GDT     L    49_B     L    49_B     19   23   29      8   15   19   20   20   21   22   22   23   24   25   26   28   28   29   30   31   32   33   35 
LCS_GDT     E    50_B     E    50_B     19   23   29      8   15   19   20   20   21   22   22   23   24   25   26   28   28   29   30   31   32   33   35 
LCS_GDT     R    51_B     R    51_B     19   23   29      8   15   19   20   20   21   22   22   23   24   25   26   28   28   29   30   31   32   33   35 
LCS_GDT     A    52_B     A    52_B     19   23   29      8   15   19   20   20   21   22   22   23   24   25   26   28   28   29   30   31   32   33   35 
LCS_GDT     L    53_B     L    53_B     19   23   29      8   15   19   20   20   21   22   22   23   24   25   26   28   28   29   30   31   32   33   35 
LCS_GDT     A    54_B     A    54_B     19   23   29      8   15   19   20   20   21   22   22   23   24   25   26   28   28   29   30   31   32   33   36 
LCS_GDT     A    55_B     A    55_B     19   23   29      9   15   19   20   20   21   22   22   23   24   25   26   28   28   29   30   33   36   38   39 
LCS_GDT     Y    56_B     Y    56_B     19   23   38      9   15   19   20   20   21   22   22   23   24   25   26   28   28   29   33   35   37   38   39 
LCS_GDT     L    57_B     L    57_B     19   23   39      9   15   19   20   20   21   22   22   23   24   25   26   28   28   29   30   35   37   38   39 
LCS_GDT     T    58_B     T    58_B     19   23   39      9   15   19   20   20   21   22   22   23   24   25   26   32   34   36   36   37   37   38   39 
LCS_GDT     L    59_B     L    59_B     19   23   39      9   15   19   20   20   21   22   22   23   25   31   33   34   35   36   36   37   37   38   39 
LCS_GDT     V    60_B     V    60_B     19   23   39      9   15   19   20   20   21   22   22   23   31   33   34   34   35   36   36   37   37   38   39 
LCS_GDT     E    61_B     E    61_B     19   23   39      9   15   19   20   20   21   22   22   23   32   33   34   34   35   36   36   37   37   38   39 
LCS_GDT     T    62_B     T    62_B     19   26   39      9   15   19   20   22   26   31   31   31   32   33   34   34   35   36   36   37   37   38   39 
LCS_GDT     L    63_B     L    63_B     19   30   39      9   15   19   20   24   28   31   31   31   32   33   34   34   35   36   36   37   37   38   39 
LCS_GDT     F    64_B     F    64_B     19   30   39     12   15   19   22   27   29   31   31   31   32   33   34   34   35   36   36   37   37   38   39 
LCS_GDT     P    65_B     P    65_B     19   30   39     12   15   18   22   27   29   31   31   31   32   33   34   34   35   36   36   37   37   38   39 
LCS_GDT     E    66_B     E    66_B     14   30   39     12   15   18   21   27   29   31   31   31   32   33   34   34   35   36   36   37   37   38   40 
LCS_GDT     L    67_B     L    67_B     14   30   39     12   15   18   22   27   29   31   31   31   32   33   34   34   35   36   36   37   38   39   41 
LCS_GDT     Y    68_B     Y    68_B     14   30   39     12   15   18   22   27   29   31   31   31   32   33   34   34   35   36   36   37   38   39   41 
LCS_GDT     A    69_B     A    69_B     14   30   39     12   15   18   22   27   29   31   31   31   32   33   34   34   35   36   36   37   38   39   41 
LCS_GDT     E    70_B     E    70_B     14   30   39     12   15   18   22   27   29   31   31   31   32   33   34   34   35   36   36   37   38   39   41 
LCS_GDT     M    71_B     M    71_B     14   30   39     12   15   18   22   27   29   31   31   31   32   33   34   34   35   36   36   37   38   39   41 
LCS_GDT     K    72_B     K    72_B     14   30   39     12   15   18   22   27   29   31   31   31   32   33   34   34   35   36   36   37   37   39   41 
LCS_GDT     A    73_B     A    73_B     14   30   39     12   15   18   22   27   29   31   31   31   32   33   34   34   35   36   36   37   37   39   41 
LCS_GDT     A    74_B     A    74_B     14   30   39     12   15   18   21   27   29   31   31   31   32   33   34   34   35   36   36   37   37   39   40 
LCS_GDT     L    75_B     L    75_B     14   30   39     12   15   18   22   27   29   31   31   31   32   33   34   34   35   36   36   37   37   38   39 
LCS_GDT     A    76_B     A    76_B     14   30   39     10   15   18   22   27   29   31   31   31   32   33   34   34   35   36   36   37   37   38   39 
LCS_GDT     A    77_B     A    77_B     14   30   39      3    7   16   22   27   29   31   31   31   32   33   34   34   35   36   36   37   37   38   39 
LCS_GDT     A    78_B     A    78_B     11   30   39      4   10   12   22   27   29   31   31   31   32   33   34   34   35   36   36   37   37   38   39 
LCS_GDT     K    79_B     K    79_B     11   30   39      3   10   13   18   27   29   31   31   31   32   33   34   34   35   36   36   37   37   38   39 
LCS_GDT     T    80_B     T    80_B     11   30   39      3   10   13   22   27   29   31   31   31   32   33   34   34   35   36   36   37   37   38   39 
LCS_GDT     P    81_B     P    81_B     11   30   39      5   10   12   18   27   29   31   31   31   32   33   34   34   35   36   36   37   37   38   39 
LCS_GDT     E    82_B     E    82_B     11   30   39      5   10   16   22   27   29   31   31   31   32   33   34   34   35   36   36   37   37   38   39 
LCS_GDT     E    83_B     E    83_B     11   30   39      5   10   18   22   27   29   31   31   31   32   33   34   34   35   36   36   37   37   38   39 
LCS_GDT     K    84_B     K    84_B     11   30   39      5   10   18   22   27   29   31   31   31   32   33   34   34   35   36   36   37   37   38   39 
LCS_GDT     I    85_B     I    85_B     11   30   39     10   15   18   22   27   29   31   31   31   32   33   34   34   35   36   36   37   37   38   39 
LCS_GDT     A    86_B     A    86_B     11   30   39      4   15   18   22   27   29   31   31   31   32   33   34   34   35   36   36   37   37   38   39 
LCS_GDT     V    87_B     V    87_B     11   30   39      4   10   15   22   27   29   31   31   31   32   33   34   34   35   36   36   37   37   38   39 
LCS_GDT     F    88_B     F    88_B     11   30   39      5    9   11   17   23   29   31   31   31   32   33   34   34   35   36   36   37   37   39   41 
LCS_GDT     R    89_B     R    89_B     11   30   39      4    9   11   17   22   29   31   31   31   32   33   34   34   35   36   36   37   38   39   41 
LCS_GDT     E    90_B     E    90_B     11   30   39      4    8   12   22   27   29   31   31   31   32   33   34   34   35   36   36   37   38   39   40 
LCS_GDT     Y    91_B     Y    91_B      5   30   39      4    4   15   20   27   29   31   31   31   32   33   34   34   35   36   36   37   38   39   41 
LCS_GDT     N    92_B     N    92_B      5   30   39      4    9   18   22   27   29   31   31   31   32   33   34   34   35   36   36   37   38   39   41 
LCS_GDT     A    93_B     A    93_B      5    6   39      4    4    5   10   15   23   29   30   31   32   33   34   34   35   36   36   37   38   39   41 
LCS_GDT     R    94_B     R    94_B      5   13   39      4    4    5    7    9   13   19   27   31   31   33   33   34   35   36   36   37   38   39   41 
LCS_GDT     F    95_B     F    95_B      5   17   39      3    3    9   12   15   17   18   20   23   29   30   32   33   34   34   35   37   38   39   41 
LCS_GDT     L    96_B     L    96_B     14   17   39      4   11   15   16   16   17   18   19   23   25   28   29   31   34   34   35   37   38   39   41 
LCS_GDT     A    97_B     A    97_B     14   17   38      7   11   15   16   16   17   18   20   23   25   28   29   31   31   32   35   37   38   39   41 
LCS_GDT     E    98_B     E    98_B     14   17   35      7   11   15   16   16   17   18   20   23   25   28   29   31   31   32   35   37   38   39   41 
LCS_GDT     F    99_B     F    99_B     14   17   30      7   11   15   16   16   17   18   20   23   25   28   29   31   31   32   35   37   38   39   41 
LCS_GDT     D   100_B     D   100_B     14   17   30      7   11   15   16   16   17   18   20   23   25   28   29   31   31   32   35   37   38   39   41 
LCS_GDT     A   101_B     A   101_B     14   17   30      7   11   15   16   16   17   18   20   23   25   28   29   31   31   32   35   37   38   39   41 
LCS_GDT     L   102_B     L   102_B     14   17   30      9   10   15   16   16   17   18   20   23   25   28   29   31   31   32   35   37   38   39   41 
LCS_GDT     I   103_B     I   103_B     14   17   30      7   11   15   16   16   17   18   20   23   25   28   29   31   31   32   35   37   38   39   41 
LCS_GDT     D   104_B     D   104_B     14   17   30      9   11   15   16   16   17   18   20   23   25   28   29   31   31   32   35   37   38   39   41 
LCS_GDT     Q   105_B     Q   105_B     14   17   30      9   11   15   16   16   17   18   20   23   25   28   29   31   31   32   35   37   38   39   41 
LCS_GDT     A   106_B     A   106_B     14   17   30      9   11   15   16   16   17   18   20   23   25   28   29   31   31   32   35   37   38   39   41 
LCS_GDT     F   107_B     F   107_B     14   17   30      9   11   15   16   16   17   18   20   23   25   28   29   31   31   32   35   37   38   39   41 
LCS_GDT     A   108_B     A   108_B     14   17   30      9   10   15   16   16   17   18   20   23   25   28   29   31   31   32   35   37   38   39   41 
LCS_GDT     R   109_B     R   109_B     14   17   30      9   10   15   16   16   17   18   19   21   24   28   29   31   31   32   35   37   38   39   41 
LCS_GDT     L   110_B     L   110_B     12   17   30      9   10   14   16   16   17   17   19   21   21   26   29   31   31   32   35   37   38   39   41 
LCS_GDT     K   111_B     K   111_B     12   17   30      9   10   15   16   16   17   18   19   21   24   28   29   31   31   32   35   37   38   39   41 
LCS_GDT     A   112_B     A   112_B      3   17   30      3    3    5    5   12   16   18   19   23   25   28   29   31   31   32   35   37   38   39   41 
LCS_GDT     D   113_B     D   113_B      3    4   30      3    3    5    5    5    6    8   11   16   18   22   29   31   31   31   33   35   36   38   39 
LCS_GDT     S   114_B     S   114_B      3    4   30      3    3    3    9   12   16   18   20   23   25   28   29   31   31   32   35   37   38   39   41 
LCS_GDT     L   115_B     L   115_B      3    4   30      0    3    3    4   11   12   18   20   23   25   28   29   31   31   32   35   37   38   39   41 
LCS_GDT     T   116_B     T   116_B      3    3   30      1    3    3    3    6    7   13   20   23   25   28   29   31   31   32   35   37   38   39   41 
LCS_GDT     L   117_B     L   117_B      3    3   30      0    7    9   10   11   14   18   20   23   25   28   28   31   31   32   35   37   38   39   41 
LCS_GDT     K   118_B     K   118_B      3    3   30      0    3    3    5    9   11   13   17   20   21   24   26   28   31   32   35   37   38   39   41 
LCS_GDT     I   119_B     I   119_B      3    3   30      0    3    3    3    3    6   10   14   15   21   24   26   28   31   32   35   37   38   39   41 
LCS_GDT     H   120_B     H   120_B      3    3   30      0    3    4    4    6    6    7   10   19   21   24   26   28   31   32   35   37   38   39   41 
LCS_GDT     L   121_B     L   121_B      3    5   11      0    3    4    4    5    5    6    7    8   10   20   23   28   29   32   33   36   38   39   40 
LCS_GDT     S   122_B     S   122_B      3    5   11      3    3    4    4    5    5    6    7    8    9   10   11   13   17   19   21   26   29   33   35 
LCS_GDT     Q   123_B     Q   123_B      4    5   11      3    4    4    4    5    5    6    6    7    7    8    9   10   11   12   13   15   18   26   27 
LCS_GDT     G   124_B     G   124_B      4    5   11      3    4    4    4    5    5    6    6    7    7    8   23   23   23   25   28   31   35   39   40 
LCS_GDT     K   125_B     K   125_B      4    5   11      3    4    6    6    9   11   13   17   17   19   24   26   28   31   32   35   37   38   39   41 
LCS_GDT     G   126_B     G   126_B      4    5   11      0    4    4    4    4    5    5    9   14   18   24   26   28   31   32   35   37   38   39   41 
LCS_GDT     S   127_B     S   127_B      3    4   20      3    3    3    4    6    6    7   13   19   20   24   26   28   31   32   35   37   38   39   41 
LCS_GDT     Y   128_B     Y   128_B      3    4   20      3    3    4    4    6    7    9   11   13   18   23   25   27   30   32   35   37   38   39   41 
LCS_GDT     E   129_B     E   129_B      3    4   20      3    3    4    4    6    7    9   11   13   18   20   23   25   26   28   31   35   35   37   39 
LCS_GDT     I   130_B     I   130_B      3    4   20      3    3    4    5    6    7    9   11   13   18   20   23   25   26   28   28   30   32   35   37 
LCS_GDT     I   131_B     I   131_B      3    4   20      3    3    4    5    6    6    8   10   12   16   20   23   25   26   28   28   30   30   30   36 
LCS_GDT     F   132_B     F   132_B      3    4   20      1    4    4    5    6    7    7   10   13   18   20   23   25   26   28   28   30   30   30   32 
LCS_GDT     P   133_B     P   133_B      6    6   20      5    6    6    6    6    7    7   11   13   18   20   23   25   26   28   28   30   30   30   32 
LCS_GDT     P   134_B     P   134_B      6    6   20      5    6    6    6    6    6    7    8    9   18   20   23   25   26   28   28   30   30   30   32 
LCS_GDT     E   135_B     E   135_B      6    6   20      5    6    6    6    6    6    7    8    9   10   13   21   25   26   28   28   30   30   30   32 
LCS_GDT     V   136_B     V   136_B      6    6   20      5    6    6    6    6    6    7    8    9   13   13   23   25   26   28   28   30   30   30   32 
LCS_GDT     Q   137_B     Q   137_B      6    6   20      5    6    6    6    6    7    9   11   13   18   20   23   25   26   28   28   30   30   30   32 
LCS_GDT     A   138_B     A   138_B      6    6   20      3    6    6    6    6    7    9   11   13   18   20   23   25   26   28   28   30   30   30   32 
LCS_GDT     D   139_B     D   139_B      3    5   20      3    4    4    5    6    7    9   11   13   18   20   23   25   26   28   28   30   30   30   32 
LCS_GDT     P   140_B     P   140_B      7    7   20      3    6    7    7    7    7    9   11   13   18   20   23   25   26   28   28   30   30   30   32 
LCS_GDT     E   141_B     E   141_B      7    7   20      6    6    7    7    7    7    8    9   11   18   20   23   25   26   28   28   30   30   30   32 
LCS_GDT     R   142_B     R   142_B      7    7   20      6    6    7    7    7    7    8    9    9   17   20   23   25   26   28   28   30   30   30   32 
LCS_GDT     A   143_B     A   143_B      7    7   20      6    6    7    7    7    7    8    9   12   18   20   23   25   26   28   28   30   30   30   32 
LCS_GDT     A   144_B     A   144_B      7    7   20      6    6    7    7    7    7    9   10   12   18   20   23   25   26   28   28   30   30   30   32 
LCS_GDT     A   145_B     A   145_B      7    7   20      6    6    7    7    7    7    8   10   13   18   20   23   25   26   28   28   30   30   30   32 
LCS_GDT     I   146_B     I   146_B      7    7   20      6    6    7    7    7    7    8   11   13   18   20   23   25   26   28   28   30   30   30   32 
LCS_AVERAGE  LCS_A:   9.50  (   5.11    8.64   14.74 )

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     12     15     19     22     27     29     31     31     31     32     33     34     34     35     36     36     37     38     39     41 
GDT PERCENT_AT   5.80   7.25   9.18  10.63  13.04  14.01  14.98  14.98  14.98  15.46  15.94  16.43  16.43  16.91  17.39  17.39  17.87  18.36  18.84  19.81
GDT RMS_LOCAL    0.28   0.57   0.84   1.42   1.59   1.76   2.09   2.09   2.09   2.32   2.59   2.88   2.88   3.11   3.55   3.55   4.00   5.52   5.67   6.33
GDT RMS_ALL_AT  40.13  42.94  42.60  41.39  41.45  41.50  41.87  41.87  41.87  42.09  42.12  42.26  42.26  42.26  42.56  42.56  42.81  22.90  23.06  22.72

# Checking swapping
#   possible swapping detected:  E    61_B      E    61_B
#   possible swapping detected:  E    66_B      E    66_B
#   possible swapping detected:  Y    68_B      Y    68_B
#   possible swapping detected:  E    70_B      E    70_B
#   possible swapping detected:  F    88_B      F    88_B
#   possible swapping detected:  E    90_B      E    90_B
#   possible swapping detected:  E    98_B      E    98_B
#   possible swapping detected:  D   100_B      D   100_B
#   possible swapping detected:  F   107_B      F   107_B
#   possible swapping detected:  D   113_B      D   113_B
#   possible swapping detected:  Y   128_B      Y   128_B
#   possible swapping detected:  E   129_B      E   129_B
#   possible swapping detected:  E   141_B      E   141_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D    43_B      D    43_B    38.290     0    0.216   0.450    39.305    0.000    0.000
LGA    L    44_B      L    44_B    39.677     0    0.562   0.537    41.959    0.000    0.000
LGA    S    45_B      S    45_B    39.655     0    0.538   0.822    40.235    0.000    0.000
LGA    D    46_B      D    46_B    42.477     0    0.585   1.150    46.612    0.000    0.000
LGA    E    47_B      E    47_B    39.407     0    0.159   0.279    43.880    0.000    0.000
LGA    Q    48_B      Q    48_B    36.850     0    0.062   0.610    41.600    0.000    0.000
LGA    L    49_B      L    49_B    33.451     0    0.000   0.118    36.699    0.000    0.000
LGA    E    50_B      E    50_B    32.176     4    0.007   0.000    33.824    0.000    0.000
LGA    R    51_B      R    51_B    30.568     0    0.061   0.296    38.858    0.000    0.000
LGA    A    52_B      A    52_B    27.210     0    0.000   0.047    28.906    0.000    0.000
LGA    L    53_B      L    53_B    24.720     0    0.048   1.395    27.483    0.000    0.000
LGA    A    54_B      A    54_B    23.267     0    0.046   0.040    24.787    0.000    0.000
LGA    A    55_B      A    55_B    21.218     0    0.090   0.074    22.722    0.000    0.000
LGA    Y    56_B      Y    56_B    17.942     0    0.007   1.385    19.611    0.000    0.000
LGA    L    57_B      L    57_B    15.982     0    0.000   0.434    21.009    0.000    0.000
LGA    T    58_B      T    58_B    13.672     0    0.000   0.110    16.191    0.000    0.000
LGA    L    59_B      L    59_B    11.543     0    0.000   1.072    15.079    2.143    1.071
LGA    V    60_B      V    60_B     8.141     0    0.026   1.176    12.075   11.190    6.871
LGA    E    61_B      E    61_B     6.968     0    0.153   1.062    12.359   23.810   11.164
LGA    T    62_B      T    62_B     4.683     0    0.000   1.220     8.736   36.071   24.354
LGA    L    63_B      L    63_B     3.456     0    0.107   1.264     7.801   54.048   35.952
LGA    F    64_B      F    64_B     2.399     0    0.530   1.561     9.170   73.571   39.134
LGA    P    65_B      P    65_B     2.275     0    0.017   0.341     4.159   64.881   57.823
LGA    E    66_B      E    66_B     2.253     0    0.000   1.160     3.276   68.810   65.079
LGA    L    67_B      L    67_B     1.887     0    0.026   1.360     4.929   72.976   66.786
LGA    Y    68_B      Y    68_B     1.241     0    0.076   0.172     1.502   83.810   82.222
LGA    A    69_B      A    69_B     0.798     0    0.032   0.033     1.170   88.214   86.857
LGA    E    70_B      E    70_B     1.331     0    0.000   0.588     3.908   81.429   66.561
LGA    M    71_B      M    71_B     0.699     0    0.072   0.622     3.842   90.476   82.381
LGA    K    72_B      K    72_B     0.839     0    0.000   0.387     3.039   86.190   75.556
LGA    A    73_B      A    73_B     1.852     0    0.105   0.106     3.059   67.262   66.762
LGA    A    74_B      A    74_B     2.147     0    0.189   0.185     2.647   64.881   64.857
LGA    L    75_B      L    75_B     1.994     0    0.082   1.330     3.172   70.833   67.024
LGA    A    76_B      A    76_B     1.455     0    0.485   0.455     2.688   73.214   74.857
LGA    A    77_B      A    77_B     1.249     0    0.277   0.286     1.380   81.429   81.429
LGA    A    78_B      A    78_B     1.846     0    0.078   0.119     1.978   72.857   72.857
LGA    K    79_B      K    79_B     2.157     0    0.333   1.353     4.784   68.810   60.899
LGA    T    80_B      T    80_B     1.629     0    0.157   1.010     1.993   72.857   74.082
LGA    P    81_B      P    81_B     2.657     0    0.150   0.341     4.771   69.048   57.279
LGA    E    82_B      E    82_B     1.787     4    0.055   0.062     2.313   77.381   41.587
LGA    E    83_B      E    83_B     0.896     4    0.034   0.054     1.327   88.214   48.254
LGA    K    84_B      K    84_B     1.113     0    0.064   0.655     1.310   85.952   85.450
LGA    I    85_B      I    85_B     1.002     0    0.072   1.021     2.247   85.952   78.452
LGA    A    86_B      A    86_B     1.363     0    0.079   0.084     1.979   79.286   78.000
LGA    V    87_B      V    87_B     2.023     0    0.000   0.145     3.350   63.333   61.837
LGA    F    88_B      F    88_B     3.093     0    0.185   1.024     7.216   50.119   35.671
LGA    R    89_B      R    89_B     3.141     0    0.400   1.408     7.507   59.167   41.212
LGA    E    90_B      E    90_B     1.859     0    0.081   0.877     2.507   79.762   80.212
LGA    Y    91_B      Y    91_B     2.297     0    0.673   0.728     6.738   69.524   41.270
LGA    N    92_B      N    92_B     1.750     0    0.000   0.920     5.607   57.976   51.310
LGA    A    93_B      A    93_B     6.410     0    0.253   0.253     8.668   16.786   14.381
LGA    R    94_B      R    94_B     7.689     0    0.134   1.046    10.875    5.833   19.177
LGA    F    95_B      F    95_B     9.637     0    0.603   0.884    12.093    1.310    0.909
LGA    L    96_B      L    96_B    14.033     0    0.609   1.051    17.874    0.000    0.000
LGA    A    97_B      A    97_B    20.837     0    0.144   0.159    23.368    0.000    0.000
LGA    E    98_B      E    98_B    19.935     0    0.091   1.232    22.524    0.000    0.000
LGA    F    99_B      F    99_B    20.188     0    0.051   0.993    24.743    0.000    0.000
LGA    D   100_B      D   100_B    26.072     0    0.000   1.094    30.205    0.000    0.000
LGA    A   101_B      A   101_B    29.580     0    0.180   0.194    32.329    0.000    0.000
LGA    L   102_B      L   102_B    28.971     0    0.123   1.239    31.843    0.000    0.000
LGA    I   103_B      I   103_B    30.564     0    0.055   0.850    35.111    0.000    0.000
LGA    D   104_B      D   104_B    37.205     0    0.053   0.448    40.888    0.000    0.000
LGA    Q   105_B      Q   105_B    39.053     0    0.069   0.977    41.558    0.000    0.000
LGA    A   106_B      A   106_B    37.427     0    0.032   0.039    41.064    0.000    0.000
LGA    F   107_B      F   107_B    41.110     0    0.085   1.541    45.726    0.000    0.000
LGA    A   108_B      A   108_B    47.121     0    0.000   0.000    50.473    0.000    0.000
LGA    R   109_B      R   109_B    47.557     0    0.073   1.157    49.983    0.000    0.000
LGA    L   110_B      L   110_B    46.811     3    0.037   0.052    50.597    0.000    0.000
LGA    K   111_B      K   111_B    52.591     2    0.355   0.651    56.864    0.000    0.000
LGA    A   112_B      A   112_B    53.522     0    0.607   0.591    53.841    0.000    0.000
LGA    D   113_B      D   113_B    49.078     0    0.066   1.013    50.743    0.000    0.000
LGA    S   114_B      S   114_B    48.297     0    0.604   0.589    52.167    0.000    0.000
LGA    L   115_B      L   115_B    52.671     0    0.602   0.827    55.138    0.000    0.000
LGA    T   116_B      T   116_B    52.732     0    0.603   0.587    54.649    0.000    0.000
LGA    L   117_B      L   117_B    50.337     0    0.617   1.309    50.799    0.000    0.000
LGA    K   118_B      K   118_B    52.493     0    0.625   0.948    55.804    0.000    0.000
LGA    I   119_B      I   119_B    55.272     0    0.616   0.678    56.413    0.000    0.000
LGA    H   120_B      H   120_B    57.133     0    0.641   0.544    59.722    0.000    0.000
LGA    L   121_B      L   121_B    55.082     0    0.589   0.663    57.308    0.000    0.000
LGA    S   122_B      S   122_B    59.792     0    0.546   0.883    61.343    0.000    0.000
LGA    Q   123_B      Q   123_B    63.607     4    0.504   0.481    65.362    0.000    0.000
LGA    G   124_B      G   124_B    64.134     0    0.068   0.068    64.649    0.000    0.000
LGA    K   125_B      K   125_B    65.871     4    0.647   0.616    68.331    0.000    0.000
LGA    G   126_B      G   126_B    66.801     0    0.658   0.658    70.481    0.000    0.000
LGA    S   127_B      S   127_B    68.529     0    0.633   0.909    68.951    0.000    0.000
LGA    Y   128_B      Y   128_B    66.314     0    0.039   1.211    69.128    0.000    0.000
LGA    E   129_B      E   129_B    68.273     0    0.285   0.710    74.050    0.000    0.000
LGA    I   130_B      I   130_B    63.942     0    0.519   0.477    65.718    0.000    0.000
LGA    I   131_B      I   131_B    66.096     0    0.623   0.973    67.984    0.000    0.000
LGA    F   132_B      F   132_B    69.313     0    0.594   1.410    76.092    0.000    0.000
LGA    P   133_B      P   133_B    66.048     0    0.600   0.763    68.080    0.000    0.000
LGA    P   134_B      P   134_B    68.392     0    0.050   0.160    71.404    0.000    0.000
LGA    E   135_B      E   135_B    72.339     4    0.033   0.049    74.609    0.000    0.000
LGA    V   136_B      V   136_B    72.715     0    0.000   0.395    73.929    0.000    0.000
LGA    Q   137_B      Q   137_B    71.942     4    0.214   0.229    73.552    0.000    0.000
LGA    A   138_B      A   138_B    75.092     0    0.185   0.188    75.113    0.000    0.000
LGA    D   139_B      D   139_B    72.743     0    0.402   0.998    73.696    0.000    0.000
LGA    P   140_B      P   140_B    74.228     0    0.650   0.635    74.621    0.000    0.000
LGA    E   141_B      E   141_B    76.706     0    0.141   0.709    83.075    0.000    0.000
LGA    R   142_B      R   142_B    73.156     0    0.108   1.165    78.201    0.000    0.000
LGA    A   143_B      A   143_B    69.193     0    0.192   0.203    71.031    0.000    0.000
LGA    A   144_B      A   144_B    69.190     0    0.111   0.121    71.152    0.000    0.000
LGA    A   145_B      A   145_B    68.325     0    0.097   0.102    69.861    0.000    0.000
LGA    I   146_B      I   146_B    63.307     0    0.593   0.482    66.039    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      104     416    416  100.00     784    784  100.00               207
SUMMARY(RMSD_GDC):    18.883         18.721                 18.973           11.108    9.660

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  104  207    4.0     31    2.09    12.560    12.242     1.415

LGA_LOCAL      RMSD:   2.091  Number of atoms:   31  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  41.870  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:  18.883  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.448069 * X  +  -0.841001 * Y  +  -0.303234 * Z  + 621.912292
  Y_new =  -0.159390 * X  +   0.408905 * Y  +  -0.898550 * Z  + 264.672119
  Z_new =   0.879675 * X  +  -0.354280 * Y  +  -0.317265 * Z  + -172.927704 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.799825 -1.075179 -2.301131   [DEG: -160.4182  -61.6032 -131.8451 ]
ZXZ: -0.325470  1.893641  1.953662   [DEG:  -18.6480  108.4976  111.9366 ]
 
# END of job
