
#######################################################
#                                                     #
#                        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  115 (  845),  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:   112       7_A - 118_A       4.37     4.37
  LCS_AVERAGE:     99.12

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    54      34_A - 87_A        1.99     6.38
  LONGEST_CONTINUOUS_SEGMENT:    54      35_A - 88_A        1.92     6.32
  LONGEST_CONTINUOUS_SEGMENT:    54      36_A - 89_A        1.99     6.23
  LCS_AVERAGE:     43.47

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38       7_A - 44_A        0.94    10.13
  LCS_AVERAGE:     28.34

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     E     7_A     E     7_A     38   49  112      7   32   38   40   41   51   58   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     C     8_A     C     8_A     38   49  112     16   32   38   40   41   51   58   67   78   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     A     9_A     A     9_A     38   49  112      4   32   38   40   41   44   52   63   73   79   90   99  103  106  107  109  111  112  112  112 
LCS_GDT     S    10_A     S    10_A     38   49  112      3    4   26   39   39   43   44   47   57   69   80   91   98  105  107  109  111  112  112  112 
LCS_GDT     N    11_A     N    11_A     38   49  112     14   32   38   40   41   51   58   66   75   87   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     P    12_A     P    12_A     38   49  112     22   32   38   40   42   51   58   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     C    13_A     C    13_A     38   49  112     22   32   38   40   42   51   58   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     L    14_A     L    14_A     38   49  112     22   32   38   40   42   51   58   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     N    15_A     N    15_A     38   49  112     22   32   38   40   42   51   58   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     Q    16_A     Q    16_A     38   49  112     22   32   38   40   42   51   58   66   78   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     G    17_A     G    17_A     38   49  112     22   32   38   40   42   51   58   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     T    18_A     T    18_A     38   49  112     22   32   38   40   41   51   58   66   78   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     C    19_A     C    19_A     38   49  112     22   32   38   40   42   51   58   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     I    20_A     I    20_A     38   49  112     22   32   38   40   42   51   58   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     D    21_A     D    21_A     38   49  112     22   32   38   40   42   51   60   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     D    22_A     D    22_A     38   49  112     22   32   38   40   45   55   61   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     V    23_A     V    23_A     38   49  112     16   32   38   43   46   55   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     A    24_A     A    24_A     38   49  112      4    5    9   41   51   56   61   68   77   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     G    25_A     G    25_A     38   49  112     21   40   43   46   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     Y    26_A     Y    26_A     38   49  112     22   32   38   41   46   55   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     K    27_A     K    27_A     38   49  112     22   32   38   40   46   55   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     C    28_A     C    28_A     38   49  112     22   32   38   40   42   54   61   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     N    29_A     N    29_A     38   49  112     22   32   38   40   42   51   58   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     C    30_A     C    30_A     38   49  112     22   32   38   40   42   51   58   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     L    31_A     L    31_A     38   49  112     22   32   38   40   42   51   58   66   78   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     L    32_A     L    32_A     38   49  112      9   31   38   40   41   51   58   66   78   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     P    33_A     P    33_A     38   49  112     20   32   38   40   42   51   58   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     Y    34_A     Y    34_A     38   54  112     22   32   38   40   42   54   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     T    35_A     T    35_A     38   54  112      3   30   38   41   47   55   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     G    36_A     G    36_A     38   54  112     15   35   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     A    37_A     A    37_A     38   54  112     22   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     T    38_A     T    38_A     38   54  112     22   32   38   40   45   55   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     C    39_A     C    39_A     38   54  112     22   32   38   40   45   55   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     E    40_A     E    40_A     38   54  112     22   32   38   40   42   52   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     V    41_A     V    41_A     38   54  112     14   32   38   40   50   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     V    42_A     V    42_A     38   54  112      6   29   38   40   46   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     L    43_A     L    43_A     38   54  112     16   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     A    44_A     A    44_A     38   54  112     17   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     P    45_A     P    45_A     36   54  112     21   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     C    46_A     C    46_A     36   54  112     21   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     A    47_A     A    47_A     18   54  112     21   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     P    48_A     P    48_A     18   54  112     21   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     S    49_A     S    49_A     18   54  112     21   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     P    50_A     P    50_A     18   54  112     21   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     C    51_A     C    51_A     18   54  112     19   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     R    52_A     R    52_A     18   54  112     22   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     N    53_A     N    53_A     18   54  112     22   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     G    54_A     G    54_A     18   54  112     22   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     G    55_A     G    55_A     18   54  112     22   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     E    56_A     E    56_A     18   54  112     22   40   43   47   51   56   62   70   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     C    57_A     C    57_A     18   54  112     22   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     R    58_A     R    58_A     18   54  112     22   40   43   47   51   56   61   68   76   83   93  100  104  106  108  109  111  112  112  112 
LCS_GDT     Q    59_A     Q    59_A     18   54  112      5   31   43   47   51   56   61   65   71   77   85   96  104  106  108  109  111  112  112  112 
LCS_GDT     S    60_A     S    60_A     18   54  112      8   31   43   47   51   56   61   65   70   75   82   88  100  105  108  109  111  112  112  112 
LCS_GDT     E    61_A     E    61_A      4   54  112      3    5    8   25   38   43   53   55   60   68   72   78   86   97  105  109  111  112  112  112 
LCS_GDT     D    62_A     D    62_A     22   54  112     22   40   43   47   51   56   61   65   71   77   83   89  100  106  108  109  111  112  112  112 
LCS_GDT     Y    63_A     Y    63_A     22   54  112      3    5   19   28   39   52   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     E    64_A     E    64_A     25   54  112     19   40   43   47   51   56   62   70   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     S    65_A     S    65_A     25   54  112     22   40   43   47   51   56   62   69   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     F    66_A     F    66_A     25   54  112     21   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     S    67_A     S    67_A     25   54  112     22   40   43   47   51   56   62   69   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     C    68_A     C    68_A     25   54  112     22   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     V    69_A     V    69_A     25   54  112     22   40   43   47   51   56   62   70   79   88   93  100  104  106  108  109  111  112  112  112 
LCS_GDT     C    70_A     C    70_A     25   54  112     22   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     P    71_A     P    71_A     25   54  112     22   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     T    72_A     T    72_A     25   54  112     22   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     G    73_A     G    73_A     25   54  112     22   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     W    74_A     W    74_A     25   54  112     22   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     Q    75_A     Q    75_A     25   54  112     22   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     G    76_A     G    76_A     25   54  112     22   40   43   47   51   56   62   70   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     Q    77_A     Q    77_A     25   54  112     22   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     T    78_A     T    78_A     25   54  112     22   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     C    79_A     C    79_A     25   54  112     22   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     E    80_A     E    80_A     25   54  112     22   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     V    81_A     V    81_A     25   54  112     22   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     D    82_A     D    82_A     25   54  112     10   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     I    83_A     I    83_A     36   54  112     22   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     N    84_A     N    84_A     36   54  112      7   34   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     E    85_A     E    85_A     36   54  112      7   34   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     C    86_A     C    86_A     36   54  112     20   29   42   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     V    87_A     V    87_A     36   54  112      7   29   40   47   51   56   62   70   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     L    88_A     L    88_A     36   54  112      7   25   37   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     S    89_A     S    89_A     36   54  112      4   29   33   34   48   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     P    90_A     P    90_A     36   51  112     17   29   33   34   48   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     C    91_A     C    91_A     36   51  112     20   29   33   34   45   56   61   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     R    92_A     R    92_A     36   39  112     20   29   33   34   42   51   59   66   78   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     H    93_A     H    93_A     36   39  112     10   29   33   34   41   51   57   64   75   87   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     G    94_A     G    94_A     36   39  112      6   24   33   34   36   40   53   63   73   87   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     A    95_A     A    95_A     36   39  112     20   29   33   34   41   53   60   65   76   87   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     S    96_A     S    96_A     36   39  112     17   29   33   34   48   56   61   68   77   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     C    97_A     C    97_A     36   39  112     20   29   33   46   50   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     Q    98_A     Q    98_A     36   39  112     20   34   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     N    99_A     N    99_A     36   39  112     22   40   43   47   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     T   100_A     T   100_A     36   39  112     16   29   38   44   46   55   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     H   101_A     H   101_A     36   39  112      3   24   33   34   36   42   58   66   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     G   102_A     G   102_A     36   39  112      3    7   24   34   36   42   58   64   75   85   93  100  104  106  108  109  111  112  112  112 
LCS_GDT     G   103_A     G   103_A     36   39  112      8   29   33   34   41   51   58   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     Y   104_A     Y   104_A     36   39  112     20   29   33   42   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     R   105_A     R   105_A     36   39  112     20   29   33   44   51   56   62   71   79   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     C   106_A     C   106_A     36   39  112     20   29   33   36   50   56   61   68   78   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     H   107_A     H   107_A     36   39  112     20   29   33   36   50   56   61   68   76   87   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     C   108_A     C   108_A     36   39  112     20   29   33   34   38   53   60   65   72   87   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     Q   109_A     Q   109_A     36   39  112     20   29   33   34   36   45   55   63   69   76   86  100  104  106  108  109  111  112  112  112 
LCS_GDT     A   110_A     A   110_A     36   39  112     20   29   33   34   36   40   50   58   65   71   77   85   93  105  108  109  111  112  112  112 
LCS_GDT     G   111_A     G   111_A     36   39  112     20   29   33   34   36   40   45   54   65   70   77   83   93  105  106  109  111  112  112  112 
LCS_GDT     Y   112_A     Y   112_A     36   39  112     20   29   33   34   36   40   50   58   65   71   85   94  103  106  108  109  111  112  112  112 
LCS_GDT     S   113_A     S   113_A     36   39  112     20   29   33   34   36   40   49   58   65   71   85   94  104  106  108  109  111  112  112  112 
LCS_GDT     G   114_A     G   114_A     36   39  112     20   29   33   34   36   40   46   58   64   71   85  100  104  106  108  109  111  112  112  112 
LCS_GDT     R   115_A     R   115_A     36   39  112     20   29   33   34   36   40   52   59   70   87   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     N   116_A     N   116_A     36   39  112     20   29   33   34   36   47   59   66   77   88   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     C   117_A     C   117_A     36   39  112     20   29   33   34   37   49   57   63   75   87   94  100  104  106  108  109  111  112  112  112 
LCS_GDT     E   118_A     E   118_A     36   39  112      8   29   33   34   36   40   44   54   70   86   94  100  104  106  108  109  111  112  112  112 
LCS_AVERAGE  LCS_A:  56.98  (  28.34   43.47   99.12 )

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     22     40     43     47     51     56     62     71     79     88     94    100    104    106    108    109    111    112    112    112 
GDT PERCENT_AT  19.47  35.40  38.05  41.59  45.13  49.56  54.87  62.83  69.91  77.88  83.19  88.50  92.04  93.81  95.58  96.46  98.23  99.12  99.12  99.12
GDT RMS_LOCAL    0.28   0.56   0.67   0.98   1.19   1.71   2.22   2.86   3.01   3.32   3.54   3.73   3.92   4.00   4.15   4.17   4.29   4.37   4.37   4.37
GDT RMS_ALL_AT   8.96   6.98   7.09   6.79   6.78   6.60   5.57   4.87   5.05   4.75   4.49   4.44   4.39   4.39   4.38   4.39   4.37   4.37   4.37   4.37

# 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    56_A      E    56_A
#   possible swapping detected:  E    61_A      E    61_A
#   possible swapping detected:  D    62_A      D    62_A
#   possible swapping detected:  Y    63_A      Y    63_A
#   possible swapping detected:  E   118_A      E   118_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_A      E     7_A     4.344     0    0.104   0.941     5.392   34.524   40.159
LGA    C     8_A      C     8_A     5.031     0    0.172   0.247     7.387   21.190   27.698
LGA    A     9_A      A     9_A     7.302     0    0.056   0.064     9.674    8.095    9.143
LGA    S    10_A      S    10_A     9.415     0    0.708   0.860    10.649    2.381    1.667
LGA    N    11_A      N    11_A     6.173     0    0.254   1.132    10.089   19.881   11.786
LGA    P    12_A      P    12_A     4.471     0    0.038   0.057     4.976   40.476   38.231
LGA    C    13_A      C    13_A     2.996     0    0.019   0.033     4.273   45.238   50.476
LGA    L    14_A      L    14_A     3.548     0    0.031   0.183     4.329   46.667   45.060
LGA    N    15_A      N    15_A     4.206     0    0.041   0.222     4.523   35.714   41.190
LGA    Q    16_A      Q    16_A     5.453     0    0.016   1.306     6.473   26.310   26.720
LGA    G    17_A      G    17_A     4.013     0    0.075   0.075     4.677   35.714   35.714
LGA    T    18_A      T    18_A     5.124     0    0.103   1.168     6.809   34.524   28.435
LGA    C    19_A      C    19_A     3.411     0    0.056   0.064     4.309   41.905   44.683
LGA    I    20_A      I    20_A     3.418     0    0.017   0.470     5.459   55.476   45.714
LGA    D    21_A      D    21_A     2.417     0    0.086   0.823     5.544   59.167   49.345
LGA    D    22_A      D    22_A     1.450     0    0.045   0.847     5.576   85.952   61.667
LGA    V    23_A      V    23_A     1.507     0    0.591   0.541     2.437   77.381   75.510
LGA    A    24_A      A    24_A     5.478     0    0.378   0.409     6.769   34.405   30.190
LGA    G    25_A      G    25_A     2.549     0    0.105   0.105     3.623   57.619   57.619
LGA    Y    26_A      Y    26_A     0.585     0    0.051   0.118     3.089   90.476   75.595
LGA    K    27_A      K    27_A     1.388     0    0.033   0.810     2.200   77.143   76.720
LGA    C    28_A      C    28_A     1.899     0    0.019   0.023     2.513   65.000   70.476
LGA    N    29_A      N    29_A     3.804     0    0.025   1.252     7.357   43.452   34.107
LGA    C    30_A      C    30_A     3.248     0    0.032   0.039     4.171   45.119   50.397
LGA    L    31_A      L    31_A     4.515     0    0.111   0.183     5.399   33.095   31.607
LGA    L    32_A      L    32_A     4.912     0    0.106   0.463     5.117   30.119   31.488
LGA    P    33_A      P    33_A     3.108     0    0.050   0.111     3.914   55.833   55.510
LGA    Y    34_A      Y    34_A     2.105     0    0.036   0.194     4.976   57.381   50.635
LGA    T    35_A      T    35_A     2.834     0    0.027   0.058     4.570   64.881   53.946
LGA    G    36_A      G    36_A     2.977     0    0.042   0.042     3.028   61.190   61.190
LGA    A    37_A      A    37_A     1.794     0    0.045   0.046     2.297   77.381   74.857
LGA    T    38_A      T    38_A     1.518     0    0.037   0.153     3.249   75.119   68.571
LGA    C    39_A      C    39_A     0.928     0    0.019   0.037     2.140   83.810   78.810
LGA    E    40_A      E    40_A     2.237     0    0.129   0.751     4.456   61.190   55.450
LGA    V    41_A      V    41_A     2.545     0    0.133   0.150     4.091   69.048   58.095
LGA    V    42_A      V    42_A     1.979     0    0.054   0.099     2.967   62.976   64.898
LGA    L    43_A      L    43_A     2.855     0    0.099   1.383     6.893   59.048   47.619
LGA    A    44_A      A    44_A     2.907     0    0.071   0.068     3.164   59.167   57.333
LGA    P    45_A      P    45_A     1.743     0    0.023   0.262     2.594   72.976   68.367
LGA    C    46_A      C    46_A     2.628     0    0.003   0.042     3.510   57.262   53.730
LGA    A    47_A      A    47_A     3.520     0    0.058   0.069     4.347   45.238   46.190
LGA    P    48_A      P    48_A     3.278     0    0.131   0.389     3.834   48.333   54.286
LGA    S    49_A      S    49_A     3.196     0    0.078   0.070     4.763   55.476   48.413
LGA    P    50_A      P    50_A     1.275     0    0.030   0.036     1.637   81.548   84.082
LGA    C    51_A      C    51_A     0.711     0    0.146   0.185     1.735   90.476   86.032
LGA    R    52_A      R    52_A     1.434     0    0.043   1.337     8.624   83.690   49.567
LGA    N    53_A      N    53_A     2.427     0    0.070   1.114     4.245   59.167   60.536
LGA    G    54_A      G    54_A     3.949     0    0.019   0.019     4.483   43.452   43.452
LGA    G    55_A      G    55_A     3.387     0    0.052   0.052     3.706   46.667   46.667
LGA    E    56_A      E    56_A     4.430     0    0.040   1.085     5.604   37.143   35.608
LGA    C    57_A      C    57_A     3.803     0    0.072   0.097     5.079   34.524   40.873
LGA    R    58_A      R    58_A     5.322     0    0.027   1.013     6.678   26.310   25.281
LGA    Q    59_A      Q    59_A     6.365     0    0.107   1.239     7.982   12.857   23.810
LGA    S    60_A      S    60_A     7.409     0    0.373   0.684     8.612   18.452   13.968
LGA    E    61_A      E    61_A     8.838     0    0.231   0.758    16.314    5.000    2.222
LGA    D    62_A      D    62_A     7.544     0    0.158   1.076    13.631   14.286    7.143
LGA    Y    63_A      Y    63_A     3.809     0    0.015   1.346     5.255   38.810   32.143
LGA    E    64_A      E    64_A     4.264     0    0.259   1.050     4.264   37.143   45.344
LGA    S    65_A      S    65_A     4.622     0    0.080   0.101     6.643   32.857   27.698
LGA    F    66_A      F    66_A     3.931     0    0.039   0.069     4.647   37.262   56.277
LGA    S    67_A      S    67_A     4.745     0    0.079   0.618     5.838   34.286   31.667
LGA    C    68_A      C    68_A     3.425     0    0.019   0.034     4.380   43.452   50.635
LGA    V    69_A      V    69_A     4.673     0    0.051   0.073     5.902   35.714   30.272
LGA    C    70_A      C    70_A     3.433     0    0.012   0.022     4.673   40.476   44.841
LGA    P    71_A      P    71_A     4.040     0    0.032   0.272     4.040   43.452   44.354
LGA    T    72_A      T    72_A     3.915     0    0.029   0.035     4.982   46.905   41.905
LGA    G    73_A      G    73_A     2.262     0    0.063   0.063     2.943   66.905   66.905
LGA    W    74_A      W    74_A     1.926     0    0.021   0.095     3.032   61.190   69.014
LGA    Q    75_A      Q    75_A     3.226     0    0.028   0.417     5.444   53.571   43.333
LGA    G    76_A      G    76_A     3.984     0    0.046   0.046     3.984   45.000   45.000
LGA    Q    77_A      Q    77_A     3.620     0    0.010   0.807     5.717   50.238   41.270
LGA    T    78_A      T    78_A     1.686     0    0.048   0.050     2.396   72.976   71.769
LGA    C    79_A      C    79_A     1.754     0    0.055   0.076     1.968   75.000   75.714
LGA    E    80_A      E    80_A     2.423     0    0.030   1.289     8.362   60.952   37.989
LGA    V    81_A      V    81_A     2.784     0    0.057   0.123     3.987   60.952   54.354
LGA    D    82_A      D    82_A     1.822     0    0.076   0.563     2.877   70.833   69.881
LGA    I    83_A      I    83_A     2.410     0    0.021   0.061     3.089   66.786   62.024
LGA    N    84_A      N    84_A     2.490     0    0.040   0.053     3.546   62.857   56.488
LGA    E    85_A      E    85_A     1.492     0    0.020   0.166     1.771   77.143   79.524
LGA    C    86_A      C    86_A     2.075     0    0.011   0.037     2.957   62.976   63.571
LGA    V    87_A      V    87_A     3.686     0    0.047   0.179     5.055   45.238   40.204
LGA    L    88_A      L    88_A     2.936     0    0.410   0.314     5.899   59.048   44.405
LGA    S    89_A      S    89_A     3.003     0    0.380   0.719     7.194   61.071   47.619
LGA    P    90_A      P    90_A     2.265     0    0.060   0.134     3.208   59.167   59.388
LGA    C    91_A      C    91_A     4.079     0    0.029   0.058     4.740   37.500   38.413
LGA    R    92_A      R    92_A     5.928     0    0.013   1.437     7.158   17.738   31.558
LGA    H    93_A      H    93_A     8.692     0    0.072   0.155    10.116    3.333    1.714
LGA    G    94_A      G    94_A     8.672     0    0.128   0.128     8.672    4.286    4.286
LGA    A    95_A      A    95_A     6.951     0    0.044   0.051     7.415   15.476   15.048
LGA    S    96_A      S    96_A     5.794     0    0.134   0.567     7.877   22.738   19.206
LGA    C    97_A      C    97_A     3.506     0    0.032   0.034     4.343   43.452   50.635
LGA    Q    98_A      Q    98_A     2.645     0    0.014   0.923     6.413   65.000   50.212
LGA    N    99_A      N    99_A     1.786     0    0.082   1.083     3.845   70.833   65.119
LGA    T   100_A      T   100_A     2.309     0    0.070   0.143     3.003   61.190   63.878
LGA    H   101_A      H   101_A     4.617     0    0.033   0.949     5.450   33.095   34.571
LGA    G   102_A      G   102_A     5.169     0    0.139   0.139     5.169   30.119   30.119
LGA    G   103_A      G   103_A     3.336     0    0.098   0.098     3.922   53.810   53.810
LGA    Y   104_A      Y   104_A     2.009     0    0.017   0.141     3.430   62.857   60.437
LGA    R   105_A      R   105_A     2.944     0    0.061   1.130     3.315   55.476   61.126
LGA    C   106_A      C   106_A     4.623     0    0.027   0.062     5.781   29.048   30.794
LGA    H   107_A      H   107_A     6.389     0    0.016   1.092     7.185   14.643   21.714
LGA    C   108_A      C   108_A     8.147     0    0.032   0.084     9.258    4.048    4.365
LGA    Q   109_A      Q   109_A     9.872     0    0.016   0.709    10.767    0.476    0.794
LGA    A   110_A      A   110_A    12.030     0    0.039   0.036    12.817    0.000    0.000
LGA    G   111_A      G   111_A    12.702     0    0.100   0.100    12.702    0.000    0.000
LGA    Y   112_A      Y   112_A    10.738     0    0.011   0.134    11.566    0.000    0.000
LGA    S   113_A      S   113_A     9.996     0    0.017   0.148    10.927    0.833    0.556
LGA    G   114_A      G   114_A     8.793     0    0.016   0.016     9.237    4.643    4.643
LGA    R   115_A      R   115_A     6.827     0    0.025   1.288     8.897   14.762   13.766
LGA    N   116_A      N   116_A     5.665     0    0.042   1.155     7.971   19.286   16.369
LGA    C   117_A      C   117_A     7.668     0    0.036   0.051     8.092    8.095    8.254
LGA    E   118_A      E   118_A     8.296     0    0.646   0.958    10.244    2.500    3.016

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      112     448    448  100.00     821    821  100.00               113
SUMMARY(RMSD_GDC):     4.373          4.345                  4.696           43.756   41.828

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  115  113    4.0     71    2.86    59.071    56.723     2.402

LGA_LOCAL      RMSD:   2.856  Number of atoms:   71  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.868  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:   4.373  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.426144 * X  +   0.237906 * Y  +   0.872813 * Z  +  21.829374
  Y_new =   0.819707 * X  +   0.306632 * Y  +  -0.483795 * Z  + -10.229672
  Z_new =  -0.382730 * X  +   0.921617 * Y  +  -0.064344 * Z  +  47.221695 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.091377  0.392749  1.640499   [DEG:   62.5313   22.5029   93.9937 ]
ZXZ:  1.064662  1.635185 -0.393610   [DEG:   61.0007   93.6892  -22.5522 ]
 
# END of job
