
#######################################################
#                                                     #
#                        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  114 (  836),  selected  111 , name one
# Molecule2: number of CA atoms  113 (  828),  selected  111 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76      42_A - 117_A       4.97    19.20
  LCS_AVERAGE:     60.25

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    45      41_A - 85_A        1.97    16.03
  LONGEST_CONTINUOUS_SEGMENT:    45      42_A - 86_A        1.93    16.30
  LONGEST_CONTINUOUS_SEGMENT:    45      43_A - 87_A        1.85    16.55
  LONGEST_CONTINUOUS_SEGMENT:    45      44_A - 88_A        1.89    16.79
  LCS_AVERAGE:     36.12

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    32      86_A - 117_A       0.96    42.31
  LCS_AVERAGE:     21.18

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  111
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     E     7_A     E     7_A      5   39   46     15   27   29   31   33   35   38   40   43   45   48   49   51   52   55   57   60   63   67   70 
LCS_GDT     C     8_A     C     8_A      5   39   46     15   27   29   31   33   35   38   40   43   45   48   49   51   52   55   57   60   63   67   70 
LCS_GDT     A     9_A     A     9_A      5   39   46     11   27   29   31   33   35   38   40   43   45   48   49   51   52   55   57   60   63   66   70 
LCS_GDT     S    10_A     S    10_A      5   39   46      4    4    5   13   33   34   36   40   43   45   48   49   51   52   55   57   60   63   67   70 
LCS_GDT     N    11_A     N    11_A      5   39   46      4    4    5    6    8   22   36   40   43   45   48   49   51   52   55   57   60   63   67   70 
LCS_GDT     P    12_A     P    12_A      4   39   46      3    4   10   11   18   26   36   39   42   45   48   49   51   52   55   57   61   63   67   70 
LCS_GDT     C    13_A     C    13_A      4   39   46      3    4    5    8   12   34   36   39   43   45   48   49   51   52   55   57   61   63   71   74 
LCS_GDT     L    14_A     L    14_A      4   39   46      3    3    8   11   24   34   36   39   42   45   48   49   51   52   55   57   61   66   71   74 
LCS_GDT     N    15_A     N    15_A     11   39   46      3   10   15   21   33   35   38   40   43   45   48   49   51   52   55   57   61   63   71   74 
LCS_GDT     Q    16_A     Q    16_A     28   39   46      7   25   29   31   33   35   38   40   43   45   48   49   51   52   55   57   60   63   67   70 
LCS_GDT     G    17_A     G    17_A     28   39   46     15   27   29   31   33   35   38   40   43   45   48   49   51   52   55   57   60   63   67   70 
LCS_GDT     T    18_A     T    18_A     28   39   46     15   27   29   31   33   35   38   40   43   45   48   49   51   52   55   57   60   63   67   70 
LCS_GDT     C    19_A     C    19_A     28   39   46     15   27   29   31   33   35   38   40   43   45   48   49   51   52   55   57   60   63   67   70 
LCS_GDT     I    20_A     I    20_A     28   39   46     15   27   29   31   33   35   38   40   43   45   48   49   51   52   55   57   60   63   67   70 
LCS_GDT     D    21_A     D    21_A     28   39   46     15   27   29   31   33   35   38   40   43   45   48   49   51   52   55   57   60   63   65   70 
LCS_GDT     D    22_A     D    22_A     28   39   46     15   27   29   31   33   35   38   40   43   45   48   49   51   52   55   57   60   62   65   68 
LCS_GDT     V    23_A     V    23_A     28   39   46     11   27   29   31   33   35   38   40   43   45   48   49   51   52   55   57   60   62   65   67 
LCS_GDT     A    24_A     A    24_A     28   39   46      4    8   17   31   33   35   38   40   43   45   48   49   51   52   55   57   60   63   66   70 
LCS_GDT     G    25_A     G    25_A     28   39   46     11   27   29   31   33   35   38   40   43   45   48   49   51   52   55   57   60   63   67   70 
LCS_GDT     Y    26_A     Y    26_A     28   39   46     15   27   29   31   33   35   38   40   43   45   48   49   51   52   55   57   60   63   67   70 
LCS_GDT     K    27_A     K    27_A     28   39   46     15   27   29   31   33   35   38   40   43   45   48   49   51   52   55   57   60   63   67   70 
LCS_GDT     C    28_A     C    28_A     28   39   46     15   27   29   31   33   35   38   40   43   45   48   49   51   52   55   57   60   63   67   70 
LCS_GDT     N    29_A     N    29_A     28   39   53     15   27   29   31   33   35   38   40   43   45   48   49   51   52   55   57   60   63   67   70 
LCS_GDT     C    30_A     C    30_A     28   39   56     15   27   29   31   33   35   38   40   43   45   48   49   51   52   55   57   61   64   71   74 
LCS_GDT     L    31_A     L    31_A     28   39   57     14   27   29   31   33   35   38   40   43   45   48   49   51   52   56   59   61   66   71   74 
LCS_GDT     L    32_A     L    32_A     28   39   58      3   27   29   31   33   35   38   40   43   45   48   49   53   57   61   67   68   72   74   75 
LCS_GDT     P    33_A     P    33_A     28   39   58      6   24   29   31   33   35   38   40   46   50   53   57   60   64   68   69   71   72   74   75 
LCS_GDT     Y    34_A     Y    34_A     28   39   58     14   27   29   31   33   35   38   40   43   46   52   56   58   63   68   69   71   72   74   75 
LCS_GDT     T    35_A     T    35_A     28   39   58     10   27   29   31   33   35   38   40   43   45   48   49   53   57   61   67   68   72   74   75 
LCS_GDT     G    36_A     G    36_A     28   39   58     14   27   29   31   33   35   38   40   43   45   48   49   51   53   57   60   63   65   71   74 
LCS_GDT     A    37_A     A    37_A     28   39   58     12   27   29   31   33   35   38   40   43   45   48   49   51   52   55   57   60   63   67   70 
LCS_GDT     T    38_A     T    38_A     28   39   58     15   27   29   31   33   35   38   40   43   45   48   49   51   52   55   57   61   64   71   74 
LCS_GDT     C    39_A     C    39_A     28   39   58     15   27   29   31   33   35   38   40   43   45   48   49   51   56   60   63   68   71   74   75 
LCS_GDT     E    40_A     E    40_A     28   39   69     14   27   29   31   33   35   38   42   46   48   52   56   58   63   68   69   71   72   74   75 
LCS_GDT     V    41_A     V    41_A     28   45   70     12   27   29   31   33   40   45   47   52   55   56   60   64   66   68   69   71   72   74   75 
LCS_GDT     V    42_A     V    42_A     28   45   76     12   27   29   31   35   41   47   50   54   55   58   64   65   66   68   69   71   74   74   75 
LCS_GDT     L    43_A     L    43_A     28   45   76      4   16   29   31   36   42   47   50   54   55   58   64   65   66   68   69   71   74   74   75 
LCS_GDT     A    44_A     A    44_A     20   45   76      8   23   34   38   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     P    45_A     P    45_A     17   45   76     12   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     C    46_A     C    46_A     17   45   76     20   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     A    47_A     A    47_A     17   45   76      3   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     P    48_A     P    48_A     17   45   76      7   26   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     S    49_A     S    49_A     17   45   76      6   30   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     P    50_A     P    50_A     17   45   76     16   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     C    51_A     C    51_A     17   45   76     22   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     R    52_A     R    52_A     17   45   76     23   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     N    53_A     N    53_A     17   45   76     23   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     G    54_A     G    54_A     17   45   76     23   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     G    55_A     G    55_A     17   45   76     21   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     E    56_A     E    56_A     17   45   76     23   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     C    57_A     C    57_A     17   45   76     23   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     R    58_A     R    58_A     17   45   76     23   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     Q    59_A     Q    59_A     17   45   76     23   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     S    60_A     S    60_A     17   45   76     23   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     E    61_A     E    61_A      3   45   76      3   10   19   35   39   44   47   50   54   55   58   64   65   66   68   69   71   74   74   75 
LCS_GDT     D    62_A     D    62_A     11   45   76      3    7   12   27   39   42   45   47   54   55   58   64   65   66   68   69   71   74   74   75 
LCS_GDT     Y    63_A     Y    63_A     11   45   76      3    3   17   29   39   42   47   50   54   55   58   64   65   66   68   69   71   74   74   75 
LCS_GDT     E    64_A     E    64_A     21   45   76      8   27   36   39   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     S    65_A     S    65_A     22   45   76     23   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     F    66_A     F    66_A     22   45   76     23   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     S    67_A     S    67_A     22   45   76     23   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     C    68_A     C    68_A     22   45   76     23   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     V    69_A     V    69_A     22   45   76     23   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     C    70_A     C    70_A     22   45   76     23   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     P    71_A     P    71_A     22   45   76     23   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     T    72_A     T    72_A     22   45   76     23   31   36   40   44   44   48   50   54   55   60   62   65   66   68   69   71   74   74   75 
LCS_GDT     G    73_A     G    73_A     22   45   76     23   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     W    74_A     W    74_A     22   45   76     23   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     Q    75_A     Q    75_A     22   45   76     23   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     G    76_A     G    76_A     22   45   76     23   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     Q    77_A     Q    77_A     22   45   76     23   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     T    78_A     T    78_A     22   45   76     23   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     C    79_A     C    79_A     22   45   76     23   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     E    80_A     E    80_A     22   45   76      9   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     V    81_A     V    81_A     22   45   76     21   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     D    82_A     D    82_A     22   45   76      4   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     I    83_A     I    83_A     22   45   76     10   31   36   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     N    84_A     N    84_A     22   45   76      6   26   35   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     E    85_A     E    85_A     22   45   76      4   14   32   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     C    86_A     C    86_A     32   45   76      4   25   30   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     V    87_A     V    87_A     32   45   76     17   25   28   38   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     L    88_A     L    88_A     32   45   76      4   23   28   31   32   39   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     S    89_A     S    89_A     32   36   76      4   10   28   31   33   43   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     P    90_A     P    90_A     32   36   76      6   25   28   31   32   34   34   37   48   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     C    91_A     C    91_A     32   36   76     18   25   28   31   32   34   41   48   52   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     R    92_A     R    92_A     32   36   76     18   25   28   31   32   34   34   39   46   53   59   61   63   65   67   69   71   74   74   75 
LCS_GDT     H    93_A     H    93_A     32   36   76     18   25   28   31   32   34   34   38   44   52   54   58   63   65   66   68   70   74   74   75 
LCS_GDT     G    94_A     G    94_A     32   36   76     18   25   28   31   32   34   34   39   45   52   54   60   63   65   66   69   71   74   74   75 
LCS_GDT     A    95_A     A    95_A     32   36   76     18   25   28   31   32   34   37   48   50   55   60   64   65   66   67   69   71   74   74   75 
LCS_GDT     S    96_A     S    96_A     32   36   76     18   25   28   31   32   34   44   48   52   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     C    97_A     C    97_A     32   36   76     18   25   28   31   35   43   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     Q    98_A     Q    98_A     32   36   76     18   25   28   31   36   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     N    99_A     N    99_A     32   36   76     11   25   28   35   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     T   100_A     T   100_A     32   36   76     18   25   28   32   37   42   47   50   52   53   56   57   60   62   66   69   71   74   74   75 
LCS_GDT     H   101_A     H   101_A     32   36   76     13   25   28   31   32   34   42   46   48   51   53   56   57   60   61   65   67   69   71   74 
LCS_GDT     G   102_A     G   102_A     32   36   76      5   21   26   30   35   41   45   46   48   51   53   56   57   60   61   65   67   69   71   74 
LCS_GDT     G   103_A     G   103_A     32   36   76      6   21   26   31   38   42   47   50   52   54   56   57   60   62   66   69   71   74   74   75 
LCS_GDT     Y   104_A     Y   104_A     32   36   76     11   25   28   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     R   105_A     R   105_A     32   36   76     17   25   30   40   44   44   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     C   106_A     C   106_A     32   36   76     18   25   28   31   34   43   48   50   54   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     H   107_A     H   107_A     32   36   76     18   25   28   31   32   37   44   48   52   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     C   108_A     C   108_A     32   36   76     18   25   28   31   32   34   40   48   50   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     Q   109_A     Q   109_A     32   36   76     18   25   28   31   32   34   34   39   46   52   59   61   63   65   66   69   71   74   74   75 
LCS_GDT     A   110_A     A   110_A     32   36   76      4   23   28   31   32   34   34   36   44   52   54   59   62   65   66   68   70   74   74   75 
LCS_GDT     G   111_A     G   111_A     32   36   76     16   25   28   31   32   34   34   39   45   52   54   58   62   65   66   68   70   74   74   75 
LCS_GDT     Y   112_A     Y   112_A     32   36   76     18   25   28   31   32   34   34   40   46   52   59   61   63   65   67   69   71   74   74   75 
LCS_GDT     S   113_A     S   113_A     32   36   76     18   25   28   31   32   34   36   40   50   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     G   114_A     G   114_A     32   36   76     18   25   28   31   32   34   34   37   48   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     R   115_A     R   115_A     32   36   76     18   25   28   31   32   34   34   37   48   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     N   116_A     N   116_A     32   36   76     18   25   28   31   32   34   34   40   48   55   60   64   65   66   68   69   71   74   74   75 
LCS_GDT     C   117_A     C   117_A     32   36   76     13   25   28   31   32   34   34   40   48   55   60   64   65   66   68   69   71   74   74   75 
LCS_AVERAGE  LCS_A:  39.18  (  21.18   36.12   60.25 )

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     23     31     36     40     44     44     48     50     54     55     60     64     65     66     68     69     71     74     74     75 
GDT PERCENT_AT  20.35  27.43  31.86  35.40  38.94  38.94  42.48  44.25  47.79  48.67  53.10  56.64  57.52  58.41  60.18  61.06  62.83  65.49  65.49  66.37
GDT RMS_LOCAL    0.29   0.49   0.72   1.17   1.42   1.42   1.93   2.12   2.63   3.03   3.29   3.84   3.86   4.03   4.65   4.19   4.40   4.67   4.67   4.82
GDT RMS_ALL_AT  17.15  17.14  17.09  17.65  17.35  17.35  17.88  16.40  16.81  20.03  19.50  18.11  18.12  17.79  16.58  19.30  18.67  19.13  19.13  18.77

# Checking swapping
#   possible swapping detected:  E     7_A      E     7_A
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  D    22_A      D    22_A
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  E    61_A      E    61_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    85_A      E    85_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_A      E     7_A    34.981     0    0.038   0.856    37.228    0.000    0.000
LGA    C     8_A      C     8_A    33.620     0    0.097   0.224    34.466    0.000    0.000
LGA    A     9_A      A     9_A    37.115     0    0.097   0.100    39.166    0.000    0.000
LGA    S    10_A      S    10_A    34.754     0    0.135   0.241    35.507    0.000    0.000
LGA    N    11_A      N    11_A    31.615     0    0.131   1.003    34.587    0.000    0.000
LGA    P    12_A      P    12_A    25.549     0    0.683   0.611    27.621    0.000    0.000
LGA    C    13_A      C    13_A    22.364     0    0.013   0.772    23.876    0.000    0.000
LGA    L    14_A      L    14_A    20.068     0    0.423   0.437    21.496    0.000    0.000
LGA    N    15_A      N    15_A    20.861     0    0.182   1.265    22.901    0.000    0.000
LGA    Q    16_A      Q    16_A    22.635     0    0.090   1.213    23.415    0.000    0.000
LGA    G    17_A      G    17_A    23.328     0    0.032   0.032    26.163    0.000    0.000
LGA    T    18_A      T    18_A    28.386     0    0.048   1.242    31.753    0.000    0.000
LGA    C    19_A      C    19_A    30.371     0    0.078   0.095    33.476    0.000    0.000
LGA    I    20_A      I    20_A    34.095     0    0.042   0.503    35.827    0.000    0.000
LGA    D    21_A      D    21_A    37.189     0    0.049   1.309    41.234    0.000    0.000
LGA    D    22_A      D    22_A    38.686     0    0.053   1.079    39.395    0.000    0.000
LGA    V    23_A      V    23_A    41.638     0    0.613   0.630    44.474    0.000    0.000
LGA    A    24_A      A    24_A    37.898     0    0.442   0.458    38.994    0.000    0.000
LGA    G    25_A      G    25_A    34.391     0    0.086   0.086    35.376    0.000    0.000
LGA    Y    26_A      Y    26_A    32.831     0    0.064   0.143    33.326    0.000    0.000
LGA    K    27_A      K    27_A    29.337     0    0.027   0.072    33.557    0.000    0.000
LGA    C    28_A      C    28_A    25.646     0    0.016   0.030    26.622    0.000    0.000
LGA    N    29_A      N    29_A    24.985     0    0.047   1.211    26.986    0.000    0.000
LGA    C    30_A      C    30_A    19.992     0    0.014   0.047    21.530    0.000    0.000
LGA    L    31_A      L    31_A    18.590     0    0.149   1.328    22.109    0.000    0.000
LGA    L    32_A      L    32_A    14.144     0    0.603   0.541    15.827    0.000    0.000
LGA    P    33_A      P    33_A     9.788     0    0.100   0.375    13.646    2.024    1.224
LGA    Y    34_A      Y    34_A    11.691     0    0.029   0.111    14.223    0.000    0.000
LGA    T    35_A      T    35_A    13.337     0    0.028   1.213    13.575    0.000    0.000
LGA    G    36_A      G    36_A    15.356     0    0.077   0.077    18.395    0.000    0.000
LGA    A    37_A      A    37_A    19.678     0    0.121   0.125    21.622    0.000    0.000
LGA    T    38_A      T    38_A    19.035     0    0.091   0.101    20.789    0.000    0.000
LGA    C    39_A      C    39_A    15.762     0    0.013   0.045    19.280    0.000    0.000
LGA    E    40_A      E    40_A    11.857     0    0.105   0.607    14.524    1.310    0.582
LGA    V    41_A      V    41_A     7.476     0    0.033   1.201     9.450    5.714    5.646
LGA    V    42_A      V    42_A     5.665     0    0.084   1.107     6.919   27.857   26.054
LGA    L    43_A      L    43_A     4.938     0    0.013   1.390     9.208   34.524   24.464
LGA    A    44_A      A    44_A     1.797     0    0.222   0.242     2.965   73.214   74.857
LGA    P    45_A      P    45_A     0.870     0    0.100   0.334     1.257   88.214   87.891
LGA    C    46_A      C    46_A     1.046     0    0.128   0.126     1.696   81.548   83.016
LGA    A    47_A      A    47_A     1.209     0    0.621   0.573     2.544   81.905   76.952
LGA    P    48_A      P    48_A     1.609     0    0.624   0.671     2.980   73.214   66.327
LGA    S    49_A      S    49_A     1.667     0    0.321   0.607     4.772   79.286   66.429
LGA    P    50_A      P    50_A     1.239     0    0.054   0.052     1.527   81.429   80.204
LGA    C    51_A      C    51_A     1.285     0    0.208   0.267     2.006   77.262   78.651
LGA    R    52_A      R    52_A     0.974     0    0.023   1.351     7.466   90.476   60.390
LGA    N    53_A      N    53_A     0.744     0    0.034   0.142     1.528   95.238   88.393
LGA    G    54_A      G    54_A     0.112     0    0.075   0.075     0.661   97.619   97.619
LGA    G    55_A      G    55_A     0.890     0    0.059   0.059     0.890   90.476   90.476
LGA    E    56_A      E    56_A     0.668     0    0.022   1.067     4.124   90.476   70.423
LGA    C    57_A      C    57_A     0.862     0    0.035   0.059     0.862   90.476   90.476
LGA    R    58_A      R    58_A     1.124     0    0.023   0.815     2.752   81.429   76.277
LGA    Q    59_A      Q    59_A     1.092     0    0.049   1.164     4.281   83.690   71.164
LGA    S    60_A      S    60_A     1.287     0    0.677   0.858     5.032   80.000   68.492
LGA    E    61_A      E    61_A     3.168     0    0.670   0.821     8.343   46.071   27.725
LGA    D    62_A      D    62_A     4.424     0    0.515   1.038     9.156   45.238   27.440
LGA    Y    63_A      Y    63_A     3.790     0    0.094   0.372     7.939   48.690   29.722
LGA    E    64_A      E    64_A     0.990     0    0.324   0.543     2.043   79.643   80.688
LGA    S    65_A      S    65_A     1.715     0    0.168   0.607     2.601   77.262   74.603
LGA    F    66_A      F    66_A     1.465     0    0.068   0.178     2.277   72.976   76.797
LGA    S    67_A      S    67_A     1.684     0    0.048   0.537     2.057   79.286   77.222
LGA    C    68_A      C    68_A     1.211     0    0.026   0.059     1.419   81.429   81.429
LGA    V    69_A      V    69_A     1.036     0    0.014   0.050     1.106   85.952   84.014
LGA    C    70_A      C    70_A     0.880     0    0.016   0.056     1.176   90.476   87.460
LGA    P    71_A      P    71_A     0.591     0    0.024   0.180     0.865   90.476   91.837
LGA    T    72_A      T    72_A     0.954     0    0.037   0.061     1.541   88.214   84.082
LGA    G    73_A      G    73_A     0.640     0    0.074   0.074     0.950   90.476   90.476
LGA    W    74_A      W    74_A     1.058     0    0.029   1.089     5.958   83.690   65.374
LGA    Q    75_A      Q    75_A     1.341     0    0.027   0.582     2.733   79.286   71.323
LGA    G    76_A      G    76_A     1.671     0    0.089   0.089     2.114   70.833   70.833
LGA    Q    77_A      Q    77_A     1.703     0    0.012   0.380     2.026   72.857   72.910
LGA    T    78_A      T    78_A     1.693     0    0.031   0.073     2.149   75.000   72.925
LGA    C    79_A      C    79_A     1.371     0    0.019   0.033     1.550   79.286   80.000
LGA    E    80_A      E    80_A     1.943     0    0.165   1.268     7.591   72.857   46.402
LGA    V    81_A      V    81_A     0.949     0    0.010   0.086     1.375   85.952   86.599
LGA    D    82_A      D    82_A     0.939     0    0.050   0.526     3.535   92.857   79.226
LGA    I    83_A      I    83_A     0.476     0    0.023   1.208     3.792   92.857   80.357
LGA    N    84_A      N    84_A     1.501     0    0.043   0.204     2.510   77.143   71.012
LGA    E    85_A      E    85_A     2.610     0    0.066   0.203     3.794   53.810   59.947
LGA    C    86_A      C    86_A     3.840     0    0.090   0.203     4.606   43.452   40.397
LGA    V    87_A      V    87_A     3.403     0    0.612   0.585     4.149   45.119   47.279
LGA    L    88_A      L    88_A     5.798     0    0.386   0.290     6.846   19.524   19.405
LGA    S    89_A      S    89_A     6.433     0    0.083   0.509     9.582    9.881   10.000
LGA    P    90_A      P    90_A    10.402     0    0.161   0.357    12.050    1.190    2.517
LGA    C    91_A      C    91_A    10.945     0    0.023   0.068    12.474    0.000    0.476
LGA    R    92_A      R    92_A    15.142     0    0.035   0.957    18.764    0.000    0.000
LGA    H    93_A      H    93_A    18.238     0    0.071   1.160    21.298    0.000    0.000
LGA    G    94_A      G    94_A    17.122     0    0.039   0.039    17.292    0.000    0.000
LGA    A    95_A      A    95_A    13.770     0    0.060   0.070    15.035    0.000    0.000
LGA    S    96_A      S    96_A    11.103     0    0.038   0.104    12.109    0.238    0.159
LGA    C    97_A      C    97_A     7.297     0    0.040   0.072     8.552    9.048   11.825
LGA    Q    98_A      Q    98_A     5.418     0    0.017   0.931     7.741   33.690   23.122
LGA    N    99_A      N    99_A     3.024     0    0.099   0.905     4.021   45.119   56.369
LGA    T   100_A      T   100_A     3.284     0    0.092   0.231     3.885   50.119   55.306
LGA    H   101_A      H   101_A     6.404     0    0.146   1.154     9.057   17.619   11.000
LGA    G   102_A      G   102_A     6.033     0    0.150   0.150     6.175   20.476   20.476
LGA    G   103_A      G   103_A     3.512     0    0.040   0.040     3.975   56.071   56.071
LGA    Y   104_A      Y   104_A     2.106     0    0.055   0.245     8.120   60.952   34.841
LGA    R   105_A      R   105_A     4.103     0    0.069   1.528     7.725   32.500   39.394
LGA    C   106_A      C   106_A     8.322     0    0.010   0.063     9.371    5.238    4.206
LGA    H   107_A      H   107_A    10.925     0    0.039   1.151    13.069    0.119    1.000
LGA    C   108_A      C   108_A    14.182     0    0.028   0.087    15.647    0.000    0.000
LGA    Q   109_A      Q   109_A    17.811     0    0.021   0.715    21.210    0.000    0.000
LGA    A   110_A      A   110_A    20.990     0    0.653   0.596    22.834    0.000    0.000
LGA    G   111_A      G   111_A    21.905     0    0.015   0.015    21.905    0.000    0.000
LGA    Y   112_A      Y   112_A    18.718     0    0.012   0.145    23.704    0.000    0.000
LGA    S   113_A      S   113_A    15.779     0    0.042   0.154    17.017    0.000    0.000
LGA    G   114_A      G   114_A    13.678     0    0.052   0.052    14.128    0.000    0.000
LGA    R   115_A      R   115_A    10.503     0    0.022   1.344    12.184    0.357    0.130
LGA    N   116_A      N   116_A    12.096     0    0.064   0.087    13.605    0.000    0.000
LGA    C   117_A      C   117_A    14.515     0    0.564   0.627    15.942    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      111     444    444  100.00     812    812  100.00               113
SUMMARY(RMSD_GDC):    11.674         11.610                 11.793           34.254   31.773

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  114  113    4.0     50    2.12    42.035    41.664     2.248

LGA_LOCAL      RMSD:   2.124  Number of atoms:   50  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.405  Number of assigned atoms:  111 
Std_ASGN_ATOMS RMSD:  11.674  Standard rmsd on all 111 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.855649 * X  +  -0.024451 * Y  +  -0.516979 * Z  +  22.204884
  Y_new =   0.321786 * X  +  -0.757216 * Y  +   0.568399 * Z  +  51.061634
  Z_new =  -0.405363 * X  +  -0.652707 * Y  +  -0.640043 * Z  + -27.985376 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.359711  0.417376 -2.346399   [DEG:   20.6099   23.9139 -134.4387 ]
ZXZ: -2.403534  2.265350 -2.585840   [DEG: -137.7124  129.7950 -148.1577 ]
 
# END of job
