
#######################################################
#                                                     #
#                        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  112 (  819),  selected  112 , name one
# Molecule2: number of CA atoms  113 (  828),  selected  112 , 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:    90      29_A - 118_A       4.98     9.78
  LONGEST_CONTINUOUS_SEGMENT:    90      30_A - 119_A       4.97     9.80
  LCS_AVERAGE:     71.85

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    46      43_A - 88_A        1.99    12.66
  LCS_AVERAGE:     35.95

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    36      84_A - 119_A       0.97    15.21
  LCS_AVERAGE:     23.63

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  112
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     C     8_A     C     8_A      3   34   43      4   20   27   30   32   34   34   34   34   34   34   36   38   39   40   41   43   46   50   58 
LCS_GDT     A     9_A     A     9_A      3   34   43      5   12   24   30   32   34   34   34   34   34   34   35   36   37   40   41   42   42   43   48 
LCS_GDT     S    10_A     S    10_A     14   34   43      3    9   23   29   32   34   34   34   34   34   34   36   38   39   40   41   42   42   45   50 
LCS_GDT     N    11_A     N    11_A     30   34   43      6   25   27   30   32   34   34   34   34   34   34   36   38   39   40   41   43   45   50   54 
LCS_GDT     P    12_A     P    12_A     30   34   43     16   25   27   30   32   34   34   34   34   34   34   36   38   39   40   41   43   45   53   58 
LCS_GDT     C    13_A     C    13_A     30   34   43     16   25   27   30   32   34   34   34   34   34   34   42   52   80   85   89   91   92   93   95 
LCS_GDT     L    14_A     L    14_A     30   34   43     10   25   27   30   32   34   34   34   34   34   34   36   38   39   40   49   84   85   93   95 
LCS_GDT     N    15_A     N    15_A     30   34   43     12   25   27   30   32   34   34   34   34   39   44   46   46   58   59   70   73   80   85   95 
LCS_GDT     Q    16_A     Q    16_A     30   34   43     16   25   27   30   32   34   34   34   34   39   44   46   46   58   65   70   73   80   92   95 
LCS_GDT     G    17_A     G    17_A     30   34   43     16   25   27   30   32   34   37   51   60   68   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     T    18_A     T    18_A     30   34   43     16   25   27   30   32   34   43   51   59   68   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     C    19_A     C    19_A     30   34   43     16   25   27   30   32   34   34   44   54   59   66   73   79   84   88   89   91   92   93   95 
LCS_GDT     I    20_A     I    20_A     30   34   43     16   25   27   30   32   34   43   45   49   52   63   68   74   80   84   89   91   92   93   94 
LCS_GDT     D    21_A     D    21_A     30   34   43     13   25   27   30   32   34   34   34   34   34   34   36   38   46   57   67   72   74   82   87 
LCS_GDT     D    22_A     D    22_A     30   34   43     10   25   27   30   32   34   34   34   34   34   34   43   45   46   52   53   65   66   71   74 
LCS_GDT     V    23_A     V    23_A     30   34   43      3    7   27   30   32   34   34   34   34   34   34   36   38   39   40   41   42   46   46   51 
LCS_GDT     A    24_A     A    24_A     30   34   43      3    3   17   30   32   34   34   34   34   34   34   36   38   39   40   41   42   42   45   50 
LCS_GDT     G    25_A     G    25_A     30   34   43      9   20   27   30   32   34   34   34   34   34   34   36   38   39   40   41   42   42   45   50 
LCS_GDT     Y    26_A     Y    26_A     30   34   43     16   25   27   30   32   34   34   34   34   34   34   36   38   39   40   48   54   66   71   78 
LCS_GDT     K    27_A     K    27_A     30   34   43     16   25   27   30   32   38   43   45   49   51   55   61   66   72   80   83   85   89   92   93 
LCS_GDT     C    28_A     C    28_A     30   34   43     16   25   27   30   32   35   42   46   56   62   69   73   79   85   88   89   91   92   93   95 
LCS_GDT     N    29_A     N    29_A     30   34   90     16   25   27   30   32   34   34   34   56   67   73   76   82   85   88   89   91   92   93   95 
LCS_GDT     C    30_A     C    30_A     30   34   90     16   25   27   30   32   34   34   34   34   59   74   80   82   85   88   89   91   92   93   95 
LCS_GDT     L    31_A     L    31_A     30   34   90     12   25   27   30   32   34   34   34   34   34   34   36   38   39   40   41   42   79   88   90 
LCS_GDT     L    32_A     L    32_A     30   34   90      3   20   27   30   32   34   34   34   34   34   34   35   35   36   39   41   42   42   43   43 
LCS_GDT     P    33_A     P    33_A     30   34   90     16   25   27   30   32   34   34   34   34   34   34   35   35   37   39   41   42   42   43   43 
LCS_GDT     Y    34_A     Y    34_A     30   34   90      8   25   27   30   32   34   34   34   34   34   34   36   38   68   85   87   88   91   93   95 
LCS_GDT     T    35_A     T    35_A     30   34   90     12   25   27   30   32   34   34   34   34   34   69   75   82   85   88   89   91   92   93   95 
LCS_GDT     G    36_A     G    36_A     30   34   90     12   25   27   30   34   40   43   46   56   61   68   73   78   84   88   89   91   92   93   95 
LCS_GDT     A    37_A     A    37_A     30   34   90      3    7   12   29   32   34   34   34   49   51   59   67   72   80   83   89   91   92   92   94 
LCS_GDT     T    38_A     T    38_A     30   34   90     16   25   27   30   32   34   34   39   47   58   64   71   78   83   88   89   91   92   93   95 
LCS_GDT     C    39_A     C    39_A     30   34   90     16   25   27   30   32   34   45   51   61   71   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     E    40_A     E    40_A     30   34   90     16   25   27   30   32   34   34   36   49   63   72   80   82   85   88   89   91   92   93   95 
LCS_GDT     V    41_A     V    41_A      4   34   90      4    8   20   26   32   34   46   55   65   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     V    42_A     V    42_A      5   33   90      4    5   10   18   33   42   53   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     L    43_A     L    43_A      5   46   90      4   13   31   42   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     A    44_A     A    44_A     17   46   90      3    5   19   42   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     P    45_A     P    45_A     17   46   90     20   31   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     C    46_A     C    46_A     17   46   90     24   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     A    47_A     A    47_A     17   46   90      4   31   38   43   48   54   56   61   65   71   74   77   82   84   85   87   90   92   93   95 
LCS_GDT     P    48_A     P    48_A     17   46   90      3   30   40   43   50   54   58   62   66   72   75   80   82   85   88   89   91   92   93   95 
LCS_GDT     S    49_A     S    49_A     17   46   90     21   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     P    50_A     P    50_A     17   46   90     24   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     C    51_A     C    51_A     17   46   90     24   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     R    52_A     R    52_A     17   46   90     24   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     N    53_A     N    53_A     17   46   90     24   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     G    54_A     G    54_A     17   46   90     24   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     G    55_A     G    55_A     17   46   90     24   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     E    56_A     E    56_A     17   46   90     24   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     C    57_A     C    57_A     17   46   90     24   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     R    58_A     R    58_A     17   46   90     24   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     Q    59_A     Q    59_A     17   46   90     23   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     S    60_A     S    60_A     17   46   90      3   30   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     E    61_A     E    61_A      4   46   90      3    8   24   37   50   54   57   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     D    62_A     D    62_A      4   46   90      3    4    6    9   15   35   38   44   49   67   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     Y    63_A     Y    63_A      4   46   90      3    3    4    6    8    9   26   37   44   50   54   65   80   84   85   87   90   91   93   95 
LCS_GDT     E    64_A     E    64_A      4   46   90      3    3    7   18   35   39   46   53   61   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     S    65_A     S    65_A     24   46   90     11   31   39   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     F    66_A     F    66_A     24   46   90     20   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     S    67_A     S    67_A     24   46   90     24   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     C    68_A     C    68_A     24   46   90     24   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     V    69_A     V    69_A     24   46   90     24   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     C    70_A     C    70_A     24   46   90     24   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     P    71_A     P    71_A     24   46   90     24   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     T    72_A     T    72_A     24   46   90     24   32   40   43   49   54   57   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     G    73_A     G    73_A     24   46   90     24   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     W    74_A     W    74_A     24   46   90     24   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     Q    75_A     Q    75_A     24   46   90     24   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     G    76_A     G    76_A     24   46   90     24   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     Q    77_A     Q    77_A     24   46   90     24   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     T    78_A     T    78_A     24   46   90     24   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     C    79_A     C    79_A     24   46   90     24   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     E    80_A     E    80_A     24   46   90     24   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     V    81_A     V    81_A     24   46   90     22   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     D    82_A     D    82_A     24   46   90      7   30   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     I    83_A     I    83_A     24   46   90     21   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     N    84_A     N    84_A     36   46   90     12   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     E    85_A     E    85_A     36   46   90     14   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     C    86_A     C    86_A     36   46   90     12   29   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     V    87_A     V    87_A     36   46   90      7   28   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     L    88_A     L    88_A     36   46   90      7   28   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     S    89_A     S    89_A     36   45   90      6   28   32   42   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     P    90_A     P    90_A     36   40   90     19   26   32   42   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     C    91_A     C    91_A     36   40   90     19   28   32   39   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     R    92_A     R    92_A     36   40   90     19   28   32   35   38   52   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     H    93_A     H    93_A     36   40   90     19   28   32   35   37   44   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     G    94_A     G    94_A     36   40   90     19   28   32   35   37   47   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     A    95_A     A    95_A     36   40   90     19   28   32   35   45   53   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     S    96_A     S    96_A     36   40   90     19   28   32   42   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     C    97_A     C    97_A     36   40   90     19   28   38   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     Q    98_A     Q    98_A     36   40   90     17   32   40   43   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     N    99_A     N    99_A     36   40   90     17   31   40   43   50   54   57   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     T   100_A     T   100_A     36   40   90      8   28   32   36   44   50   55   60   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     H   101_A     H   101_A     36   40   90      7   17   32   35   37   39   43   53   59   67   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     G   102_A     G   102_A     36   40   90      7   17   30   35   37   39   43   47   59   67   73   80   82   85   88   89   91   92   93   95 
LCS_GDT     G   103_A     G   103_A     36   40   90      7   28   32   35   37   40   52   60   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     Y   104_A     Y   104_A     36   40   90     12   28   32   41   49   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     R   105_A     R   105_A     36   40   90     12   28   32   42   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     C   106_A     C   106_A     36   40   90     19   28   32   42   50   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     H   107_A     H   107_A     36   40   90     19   28   32   42   48   54   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     C   108_A     C   108_A     36   40   90     19   28   32   35   40   52   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     Q   109_A     Q   109_A     36   40   90     19   28   32   35   37   47   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     A   110_A     A   110_A     36   40   90     15   28   32   35   37   42   51   60   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     G   111_A     G   111_A     36   40   90     12   28   32   35   37   40   44   59   63   71   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     Y   112_A     Y   112_A     36   40   90     19   28   32   35   37   40   43   59   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     S   113_A     S   113_A     36   40   90     19   28   32   35   37   40   43   57   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     G   114_A     G   114_A     36   40   90     19   28   32   35   37   40   43   55   64   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     R   115_A     R   115_A     36   40   90     19   28   32   35   37   40   43   57   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     N   116_A     N   116_A     36   40   90     19   28   32   35   37   49   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     C   117_A     C   117_A     36   40   90     19   28   32   35   37   44   58   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     E   118_A     E   118_A     36   40   90     19   28   32   35   37   40   50   62   66   72   76   80   82   85   88   89   91   92   93   95 
LCS_GDT     T   119_A     T   119_A     36   40   90      3   15   32   35   37   38   43   46   56   62   73   80   82   85   88   89   91   92   93   95 
LCS_AVERAGE  LCS_A:  43.81  (  23.63   35.95   71.85 )

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     24     32     40     43     50     54     58     62     66     72     76     80     82     85     88     89     91     92     93     95 
GDT PERCENT_AT  21.24  28.32  35.40  38.05  44.25  47.79  51.33  54.87  58.41  63.72  67.26  70.80  72.57  75.22  77.88  78.76  80.53  81.42  82.30  84.07
GDT RMS_LOCAL    0.26   0.58   0.87   0.98   1.62   1.71   2.21   2.40   2.65   3.02   3.41   3.57   3.66   3.94   4.23   4.36   4.60   4.65   4.68   4.90
GDT RMS_ALL_AT  13.50  12.55  12.48  12.34  11.72  11.78  11.12  11.09  10.89  10.52   9.90   9.90   9.93   9.52   9.22   9.15   9.00   9.03   9.24   9.33

# Checking swapping
#   possible swapping detected:  D    22_A      D    22_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  E    61_A      E    61_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  Y   104_A      Y   104_A
#   possible swapping detected:  E   118_A      E   118_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    C     8_A      C     8_A    25.966     0    0.668   0.687    27.698    0.000    0.000
LGA    A     9_A      A     9_A    29.919     0    0.680   0.617    31.538    0.000    0.000
LGA    S    10_A      S    10_A    31.390     0    0.355   0.572    33.272    0.000    0.000
LGA    N    11_A      N    11_A    24.525     0    0.333   1.265    27.066    0.000    0.000
LGA    P    12_A      P    12_A    22.966     0    0.050   0.069    23.425    0.000    0.000
LGA    C    13_A      C    13_A    16.454     0    0.041   0.124    18.809    0.000    0.000
LGA    L    14_A      L    14_A    16.481     0    0.042   0.166    21.145    0.000    0.000
LGA    N    15_A      N    15_A    15.294     0    0.190   0.419    15.848    0.000    0.000
LGA    Q    16_A      Q    16_A    15.921     0    0.062   0.314    21.324    0.000    0.000
LGA    G    17_A      G    17_A    10.596     0    0.098   0.098    13.040    0.000    0.000
LGA    T    18_A      T    18_A    11.324     0    0.027   1.172    11.769    0.000    0.000
LGA    C    19_A      C    19_A    14.981     0    0.054   0.211    19.910    0.000    0.000
LGA    I    20_A      I    20_A    17.057     0    0.099   1.218    19.933    0.000    0.000
LGA    D    21_A      D    21_A    23.359     0    0.100   0.301    25.491    0.000    0.000
LGA    D    22_A      D    22_A    26.838     0    0.105   0.990    30.644    0.000    0.000
LGA    V    23_A      V    23_A    33.198     0    0.118   1.121    35.827    0.000    0.000
LGA    A    24_A      A    24_A    33.048     0    0.360   0.369    33.325    0.000    0.000
LGA    G    25_A      G    25_A    31.484     0    0.384   0.384    31.930    0.000    0.000
LGA    Y    26_A      Y    26_A    24.589     0    0.052   1.387    27.144    0.000    0.000
LGA    K    27_A      K    27_A    18.808     0    0.044   0.789    22.520    0.000    0.000
LGA    C    28_A      C    28_A    13.011     0    0.014   0.084    15.237    0.000    0.000
LGA    N    29_A      N    29_A     8.871     0    0.061   1.172    10.258    4.286    6.012
LGA    C    30_A      C    30_A     7.593     0    0.110   0.147     9.046    5.119    5.397
LGA    L    31_A      L    31_A    11.192     0    0.209   0.405    13.517    0.119    0.060
LGA    L    32_A      L    32_A    14.992     0    0.183   0.333    19.602    0.000    0.000
LGA    P    33_A      P    33_A    14.437     0    0.153   0.535    18.106    0.000    0.000
LGA    Y    34_A      Y    34_A     9.039     0    0.045   0.164    17.920    2.262    0.873
LGA    T    35_A      T    35_A     8.287     0    0.038   1.008    11.215    4.405    2.789
LGA    G    36_A      G    36_A    12.191     0    0.119   0.119    12.191    0.119    0.119
LGA    A    37_A      A    37_A    14.998     0    0.595   0.583    17.308    0.000    0.000
LGA    T    38_A      T    38_A    14.773     0    0.045   0.123    19.137    0.000    0.000
LGA    C    39_A      C    39_A     9.712     0    0.064   0.099    11.152    0.119    0.397
LGA    E    40_A      E    40_A    11.442     0    0.690   1.451    14.555    0.000    0.000
LGA    V    41_A      V    41_A     7.969     0    0.074   1.102     8.877    9.167    9.184
LGA    V    42_A      V    42_A     5.614     0    0.012   0.052     8.235   28.810   22.653
LGA    L    43_A      L    43_A     1.221     0    0.072   1.394     5.301   63.333   62.500
LGA    A    44_A      A    44_A     2.703     0    0.286   0.292     3.860   66.905   62.190
LGA    P    45_A      P    45_A     2.530     0    0.229   0.383     4.032   59.048   52.381
LGA    C    46_A      C    46_A     2.420     0    0.089   0.116     2.629   60.952   62.222
LGA    A    47_A      A    47_A     3.681     0    0.638   0.598     5.995   37.976   41.810
LGA    P    48_A      P    48_A     2.274     0    0.691   0.730     4.887   55.714   48.776
LGA    S    49_A      S    49_A     2.173     0    0.253   0.602     3.674   64.762   62.540
LGA    P    50_A      P    50_A     1.834     0    0.064   0.074     1.906   77.143   75.306
LGA    C    51_A      C    51_A     0.894     0    0.118   0.160     1.280   88.214   88.968
LGA    R    52_A      R    52_A     1.006     0    0.017   1.339     8.617   85.952   53.896
LGA    N    53_A      N    53_A     0.767     0    0.085   0.106     1.407   85.952   88.214
LGA    G    54_A      G    54_A     1.851     0    0.061   0.061     1.920   75.000   75.000
LGA    G    55_A      G    55_A     1.628     0    0.036   0.036     1.873   72.857   72.857
LGA    E    56_A      E    56_A     2.292     0    0.030   0.298     4.407   66.786   55.344
LGA    C    57_A      C    57_A     1.882     0    0.010   0.029     2.345   66.786   67.460
LGA    R    58_A      R    58_A     1.960     0    0.055   1.516     9.707   75.000   44.459
LGA    Q    59_A      Q    59_A     1.287     0    0.047   1.400     6.531   83.810   56.455
LGA    S    60_A      S    60_A     0.666     0    0.110   0.757     4.777   76.310   66.905
LGA    E    61_A      E    61_A     4.294     0    0.242   1.134     7.080   31.429   43.333
LGA    D    62_A      D    62_A     7.334     0    0.698   1.178     7.942   13.690   12.024
LGA    Y    63_A      Y    63_A     9.215     0    0.287   1.457    19.694    6.071    2.024
LGA    E    64_A      E    64_A     5.657     0    0.119   1.146    12.841   37.381   18.148
LGA    S    65_A      S    65_A     1.476     0    0.657   0.826     3.915   79.524   69.762
LGA    F    66_A      F    66_A     1.067     0    0.027   0.152     1.828   83.690   81.515
LGA    S    67_A      S    67_A     0.863     0    0.031   0.661     1.769   90.476   87.540
LGA    C    68_A      C    68_A     1.142     0    0.038   0.097     1.414   83.690   85.952
LGA    V    69_A      V    69_A     2.112     0    0.047   0.048     2.904   66.786   62.653
LGA    C    70_A      C    70_A     1.871     0    0.015   0.037     2.724   64.881   68.968
LGA    P    71_A      P    71_A     2.562     0    0.017   0.292     2.682   59.048   61.565
LGA    T    72_A      T    72_A     3.136     0    0.027   0.076     3.585   55.357   52.109
LGA    G    73_A      G    73_A     2.883     0    0.042   0.042     2.977   57.143   57.143
LGA    W    74_A      W    74_A     2.089     0    0.030   1.123     7.723   64.762   55.136
LGA    Q    75_A      Q    75_A     2.130     0    0.026   0.727     5.032   68.810   53.651
LGA    G    76_A      G    76_A     1.621     0    0.069   0.069     1.802   77.143   77.143
LGA    Q    77_A      Q    77_A     1.170     0    0.012   0.173     2.333   85.952   79.683
LGA    T    78_A      T    78_A     0.717     0    0.014   0.044     1.261   90.476   87.891
LGA    C    79_A      C    79_A     0.916     0    0.007   0.049     1.039   90.476   88.968
LGA    E    80_A      E    80_A     1.032     0    0.070   0.918     7.577   83.690   54.974
LGA    V    81_A      V    81_A     2.021     0    0.050   0.085     3.237   68.929   62.857
LGA    D    82_A      D    82_A     2.840     0    0.077   0.563     4.814   57.143   50.417
LGA    I    83_A      I    83_A     2.602     0    0.031   0.101     2.772   60.952   59.048
LGA    N    84_A      N    84_A     2.248     0    0.015   0.118     2.576   62.857   63.810
LGA    E    85_A      E    85_A     2.350     0    0.036   0.402     3.832   62.857   58.254
LGA    C    86_A      C    86_A     2.159     0    0.039   0.040     2.405   64.762   67.460
LGA    V    87_A      V    87_A     2.758     0    0.022   0.072     3.296   57.143   55.102
LGA    L    88_A      L    88_A     2.566     0    0.412   0.311     5.644   62.976   48.274
LGA    S    89_A      S    89_A     1.021     0    0.364   0.701     3.922   81.429   72.302
LGA    P    90_A      P    90_A     1.286     0    0.139   0.203     1.749   79.286   78.980
LGA    C    91_A      C    91_A     1.493     0    0.038   0.059     1.807   77.143   78.571
LGA    R    92_A      R    92_A     2.955     0    0.020   1.443     4.011   55.476   56.753
LGA    H    93_A      H    93_A     4.402     0    0.074   0.135     5.826   37.262   29.714
LGA    G    94_A      G    94_A     3.800     0    0.067   0.067     3.859   48.452   48.452
LGA    A    95_A      A    95_A     2.106     0    0.044   0.052     2.694   66.905   66.476
LGA    S    96_A      S    96_A     1.183     0    0.125   0.559     2.615   83.690   78.889
LGA    C    97_A      C    97_A     1.178     0    0.032   0.048     1.990   79.405   78.651
LGA    Q    98_A      Q    98_A     2.446     0    0.082   1.136     4.717   62.976   60.423
LGA    N    99_A      N    99_A     3.724     0    0.071   0.856     5.200   37.738   38.274
LGA    T   100_A      T   100_A     5.537     0    0.059   0.133     5.971   23.929   23.537
LGA    H   101_A      H   101_A     7.313     0    0.031   1.049     8.420   10.119   10.571
LGA    G   102_A      G   102_A     7.109     0    0.154   0.154     7.109   12.500   12.500
LGA    G   103_A      G   103_A     5.301     0    0.057   0.057     5.882   29.048   29.048
LGA    Y   104_A      Y   104_A     3.529     0    0.046   0.154     4.229   43.452   46.190
LGA    R   105_A      R   105_A     2.765     0    0.109   0.773     3.280   65.000   64.286
LGA    C   106_A      C   106_A     1.564     0    0.047   0.065     2.078   75.000   71.587
LGA    H   107_A      H   107_A     1.338     0    0.091   1.319     6.933   79.286   52.762
LGA    C   108_A      C   108_A     2.857     0    0.031   0.073     3.433   55.476   53.651
LGA    Q   109_A      Q   109_A     3.977     0    0.051   0.651     5.640   38.810   36.825
LGA    A   110_A      A   110_A     5.125     0    0.056   0.053     5.909   25.119   25.333
LGA    G   111_A      G   111_A     6.234     0    0.182   0.182     6.234   18.214   18.214
LGA    Y   112_A      Y   112_A     5.983     0    0.021   0.109     7.631   21.548   16.905
LGA    S   113_A      S   113_A     5.757     0    0.021   0.193     6.409   21.429   20.000
LGA    G   114_A      G   114_A     5.800     0    0.041   0.041     5.800   25.119   25.119
LGA    R   115_A      R   115_A     4.958     0    0.035   0.926     5.626   34.524   27.922
LGA    N   116_A      N   116_A     3.498     0    0.020   0.160     4.240   46.786   44.286
LGA    C   117_A      C   117_A     4.206     0    0.048   0.050     4.678   35.833   39.444
LGA    E   118_A      E   118_A     5.265     0    0.059   1.104     6.692   22.976   21.746
LGA    T   119_A      T   119_A     8.066     0    0.067   0.092     9.673    7.381    5.102

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      112     448    448  100.00     819    819  100.00               113
SUMMARY(RMSD_GDC):     8.623          8.554                  9.023           39.879   37.015

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  112  113    4.0     62    2.40    50.000    48.376     2.477

LGA_LOCAL      RMSD:   2.404  Number of atoms:   62  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  11.087  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:   8.623  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.373558 * X  +  -0.002850 * Y  +  -0.927602 * Z  +  25.197823
  Y_new =   0.843228 * X  +   0.415673 * Y  +  -0.340856 * Z  +  14.059077
  Z_new =   0.386550 * X  +  -0.909510 * Y  +  -0.152875 * Z  +  23.878386 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.987822 -0.396888 -1.737325   [DEG:  113.8938  -22.7400  -99.5414 ]
ZXZ: -1.218653  1.724273  2.739714   [DEG:  -69.8237   98.7936  156.9740 ]
 
# END of job
