
#######################################################
#                                                     #
#                        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  119 (  870),  selected  113 , name one
# Molecule2: number of CA atoms  113 (  828),  selected  113 , 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:   113       7_A - 119_A       4.25     4.25
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    54      35_A - 88_A        1.95     6.00
  LONGEST_CONTINUOUS_SEGMENT:    54      36_A - 89_A        1.99     5.94
  LCS_AVERAGE:     43.65

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40       7_A - 46_A        0.95     8.41
  LCS_AVERAGE:     29.17

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  113
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     40   49  113     10   35   37   40   46   52   59   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     40   49  113     25   35   37   40   46   52   59   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     40   49  113     25   35   37   40   46   52   58   68   79   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     40   49  113      2    4    5   37   40   43   45   50   65   73   83   91  100  108  110  112  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     40   49  113     10   35   37   40   46   52   58   68   79   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     40   49  113     25   35   37   40   46   52   59   70   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     40   49  113     25   35   37   40   46   52   59   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     40   49  113     25   35   37   40   46   52   59   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     40   49  113     25   35   37   40   46   52   59   70   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     40   49  113     25   35   37   40   46   52   59   68   79   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     40   49  113     25   35   37   40   46   52   59   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     40   49  113     25   35   37   40   46   52   59   69   79   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     40   49  113     25   35   37   40   46   52   59   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     40   49  113     25   35   37   40   46   52   59   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     40   49  113     25   35   37   40   46   52   63   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     40   49  113     25   35   37   40   46   56   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     40   49  113     20   35   37   42   50   57   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     40   49  113      4    5    7   36   52   56   64   71   79   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     40   49  113     21   36   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     40   49  113     25   35   37   44   50   57   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     40   49  113     25   35   37   40   50   57   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     40   49  113     25   35   37   40   46   56   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     40   49  113     25   35   37   40   46   52   59   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     40   49  113     25   35   37   40   46   52   59   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     40   49  113     25   35   37   40   46   52   59   69   79   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     40   49  113      7   34   37   40   46   52   59   69   79   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     40   49  113     25   35   37   40   46   52   63   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     40   49  113     25   35   37   40   46   56   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     40   54  113     21   35   40   46   51   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     40   54  113     22   35   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     40   54  113     25   35   44   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     40   54  113     25   35   37   40   47   53   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     40   54  113     25   35   37   40   46   57   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     40   54  113     25   35   37   40   46   52   59   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     40   54  113     17   35   37   40   50   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     40   54  113     11   35   37   40   46   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     40   54  113     26   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     40   54  113     25   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     40   54  113     28   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     40   54  113     28   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     19   54  113     26   36   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     19   54  113     25   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     19   54  113     28   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     19   54  113     28   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     19   54  113     28   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     19   54  113     28   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     19   54  113     28   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     19   54  113     28   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     19   54  113     28   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     19   54  113     28   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     19   54  113     28   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     19   54  113     28   37   45   49   52   58   65   73   80   90   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     19   54  113      7   36   45   49   52   58   63   70   77   84   96  101  106  108  110  112  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     19   54  113      8   36   45   49   52   58   62   69   75   82   87   96  103  108  110  112  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     19   54  113      3   11   34   41   51   57   59   66   76   82   87   96  103  108  110  112  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     11   54  113      3    4   10   12   30   43   52   59   65   73   83   87   92  104  110  112  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     22   54  113      3    7   24   40   44   57   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     25   54  113     25   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     25   54  113     28   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     25   54  113     28   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     25   54  113     28   37   45   49   52   58   65   73   82   90   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     25   54  113     28   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     25   54  113     28   37   45   49   52   58   65   73   82   90   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     25   54  113     28   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     25   54  113     28   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     25   54  113     28   37   45   49   52   58   65   73   82   90   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     25   54  113     28   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     25   54  113     28   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     25   54  113     28   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     25   54  113     28   37   45   49   52   58   65   73   82   90   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     25   54  113     28   37   45   49   52   58   65   73   82   90   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     25   54  113     28   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     25   54  113     28   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     25   54  113     28   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     25   54  113     25   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     25   54  113      6   36   44   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     36   54  113     25   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     36   54  113      8   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     36   54  113      6   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     36   54  113     20   30   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     36   54  113     13   30   45   49   52   58   65   73   82   90   96  101  106  108  110  112  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     36   54  113      6   25   45   49   52   58   65   73   82   90   97  101  106  108  110  112  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     36   54  113     10   30   33   45   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     36   51  113     14   30   33   36   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     36   51  113     20   30   33   35   52   58   65   71   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     36   50  113     20   30   33   35   46   54   63   71   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     36   40  113     14   30   33   35   46   52   59   69   79   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     36   40  113     11   30   33   35   46   52   59   69   79   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     36   40  113     20   30   33   35   51   56   63   71   79   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     36   40  113     16   30   33   40   52   58   65   71   80   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     36   40  113     20   30   36   47   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     36   40  113     15   37   45   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     36   40  113     16   36   44   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     36   40  113     20   30   33   42   50   57   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     36   40  113      8   30   33   35   39   48   58   73   82   90   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     36   40  113      5   18   32   35   39   47   57   68   78   90   97  101  106  108  110  112  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     36   40  113      8   30   33   35   46   52   63   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     36   40  113     18   30   33   47   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     36   40  113     20   30   33   49   52   58   65   73   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     36   40  113     20   30   33   45   52   58   65   71   82   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     36   40  113     20   30   33   42   52   58   64   71   79   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     36   40  113     20   30   33   35   42   55   61   70   78   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     36   40  113     20   30   33   35   42   46   59   66   74   83   95  101  106  108  110  112  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     36   40  113     20   30   33   35   42   46   51   64   69   77   84   91  103  108  110  112  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     36   40  113     20   30   33   35   40   46   50   56   65   72   82   90  100  108  110  112  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     36   40  113     20   30   33   35   37   41   51   59   69   80   89  101  106  108  110  112  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     36   40  113     20   30   33   35   37   39   51   60   69   77   85  101  106  108  110  112  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     36   40  113     20   30   33   35   37   39   51   59   69   77   89  101  106  108  110  112  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     36   40  113     20   30   33   35   37   39   55   64   77   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     36   40  113     20   30   33   35   37   43   60   70   79   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     36   40  113     20   30   33   35   37   42   57   69   78   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     36   40  113     20   30   33   35   37   39   47   58   77   91   98  101  106  108  110  112  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     36   40  113      3   30   33   35   37   38   43   45   52   58   68   75   97  108  110  112  113  113  113  113 
LCS_AVERAGE  LCS_A:  57.61  (  29.17   43.65  100.00 )

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     28     37     45     49     52     58     65     73     82     91     98    101    106    108    110    112    113    113    113    113 
GDT PERCENT_AT  24.78  32.74  39.82  43.36  46.02  51.33  57.52  64.60  72.57  80.53  86.73  89.38  93.81  95.58  97.35  99.12 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.61   0.93   1.01   1.22   1.68   2.20   2.70   3.08   3.38   3.57   3.65   3.87   3.97   4.09   4.19   4.25   4.25   4.25   4.25
GDT RMS_ALL_AT   6.70   6.39   6.34   6.34   6.36   6.09   5.36   5.17   4.72   4.32   4.31   4.34   4.27   4.27   4.26   4.25   4.25   4.25   4.25   4.25

# Checking swapping
#   possible swapping detected:  E     7_A      E     7_A
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  E    56_A      E    56_A
#   possible swapping detected:  E    61_A      E    61_A
#   possible swapping detected:  D    82_A      D    82_A
#   possible swapping detected:  Y   104_A      Y   104_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_A      E     7_A     5.141     0    0.142   0.922     6.291   24.048   32.011
LGA    C     8_A      C     8_A     6.260     0    0.150   0.260     8.829   12.143   17.857
LGA    A     9_A      A     9_A     8.746     0    0.650   0.634    10.217    3.333    3.238
LGA    S    10_A      S    10_A    12.007     0    0.540   0.787    12.392    0.000    0.000
LGA    N    11_A      N    11_A     8.788     0    0.220   1.190    13.963    3.810    1.905
LGA    P    12_A      P    12_A     6.631     0    0.033   0.038     7.084   16.548   16.871
LGA    C    13_A      C    13_A     5.054     0    0.016   0.029     6.800   20.595   26.190
LGA    L    14_A      L    14_A     6.325     0    0.055   1.248     8.735   20.476   16.548
LGA    N    15_A      N    15_A     7.118     0    0.061   1.181     9.720   10.000    8.393
LGA    Q    16_A      Q    16_A     8.423     0    0.028   0.844    11.620    5.952    2.857
LGA    G    17_A      G    17_A     5.944     0    0.038   0.038     6.919   16.310   16.310
LGA    T    18_A      T    18_A     6.993     0    0.073   1.155     9.022   18.571   13.741
LGA    C    19_A      C    19_A     4.896     0    0.057   0.081     5.933   25.119   27.302
LGA    I    20_A      I    20_A     4.845     0    0.015   0.497     7.221   37.500   28.095
LGA    D    21_A      D    21_A     3.548     0    0.073   0.804     5.881   41.905   37.619
LGA    D    22_A      D    22_A     2.751     0    0.013   0.077     4.725   71.310   54.286
LGA    V    23_A      V    23_A     2.306     0    0.603   0.528     3.845   62.857   55.442
LGA    A    24_A      A    24_A     5.864     0    0.345   0.390     7.366   27.619   24.095
LGA    G    25_A      G    25_A     2.847     0    0.140   0.140     3.740   57.619   57.619
LGA    Y    26_A      Y    26_A     0.733     0    0.070   0.180     4.591   85.952   63.651
LGA    K    27_A      K    27_A     1.590     0    0.028   0.973     2.838   71.071   68.571
LGA    C    28_A      C    28_A     2.336     0    0.030   0.044     2.959   62.976   64.921
LGA    N    29_A      N    29_A     4.832     0    0.053   1.207     8.524   31.548   22.619
LGA    C    30_A      C    30_A     4.386     0    0.061   0.536     5.858   30.476   39.365
LGA    L    31_A      L    31_A     6.414     0    0.206   1.218     8.681   18.214   14.643
LGA    L    32_A      L    32_A     6.246     0    0.596   1.078     8.606   12.619   16.726
LGA    P    33_A      P    33_A     3.723     0    0.038   0.171     6.046   48.690   41.156
LGA    Y    34_A      Y    34_A     2.467     0    0.038   0.194     6.170   59.167   41.746
LGA    T    35_A      T    35_A     1.922     0    0.020   0.660     3.378   75.000   64.286
LGA    G    36_A      G    36_A     3.444     0    0.096   0.096     3.444   59.286   59.286
LGA    A    37_A      A    37_A     3.158     0    0.047   0.043     4.238   57.500   53.429
LGA    T    38_A      T    38_A     3.281     0    0.026   0.142     5.364   46.786   41.088
LGA    C    39_A      C    39_A     2.433     0    0.007   0.083     3.864   55.714   55.000
LGA    E    40_A      E    40_A     4.867     0    0.070   0.948     6.132   31.905   26.138
LGA    V    41_A      V    41_A     4.012     0    0.096   0.306     5.701   50.833   42.721
LGA    V    42_A      V    42_A     2.886     0    0.028   0.757     5.433   53.810   49.932
LGA    L    43_A      L    43_A     1.660     0    0.125   0.893     6.351   77.143   59.643
LGA    A    44_A      A    44_A     1.634     0    0.108   0.119     2.027   75.119   74.667
LGA    P    45_A      P    45_A     0.871     0    0.042   0.191     2.002   88.214   81.701
LGA    C    46_A      C    46_A     1.576     0    0.055   0.072     2.103   72.976   70.238
LGA    A    47_A      A    47_A     2.581     0    0.613   0.571     4.861   50.833   53.619
LGA    P    48_A      P    48_A     1.915     0    0.423   0.641     3.652   61.190   57.551
LGA    S    49_A      S    49_A     2.144     0    0.098   0.532     3.157   64.762   63.651
LGA    P    50_A      P    50_A     1.482     0    0.010   0.063     1.528   77.143   80.272
LGA    C    51_A      C    51_A     0.685     0    0.101   0.138     0.954   90.476   90.476
LGA    R    52_A      R    52_A     1.620     0    0.021   1.228     3.885   79.286   63.550
LGA    N    53_A      N    53_A     1.851     0    0.022   1.115     4.132   70.833   69.524
LGA    G    54_A      G    54_A     2.798     0    0.083   0.083     2.892   59.048   59.048
LGA    G    55_A      G    55_A     1.986     0    0.068   0.068     2.282   66.786   66.786
LGA    E    56_A      E    56_A     2.823     0    0.042   1.050     4.303   57.143   53.333
LGA    C    57_A      C    57_A     2.235     0    0.016   0.020     3.154   59.167   65.159
LGA    R    58_A      R    58_A     3.307     0    0.035   1.232     7.940   51.786   41.126
LGA    Q    59_A      Q    59_A     4.272     0    0.154   0.742     6.172   33.333   31.958
LGA    S    60_A      S    60_A     5.065     0    0.090   0.389     5.126   34.524   33.571
LGA    E    61_A      E    61_A     5.018     0    0.640   1.009     6.090   30.238   30.000
LGA    D    62_A      D    62_A     7.112     0    0.419   1.421    12.678   19.881   10.000
LGA    Y    63_A      Y    63_A     3.003     0    0.065   1.631    12.274   61.071   26.865
LGA    E    64_A      E    64_A     3.248     0    0.234   1.024     8.172   50.119   34.497
LGA    S    65_A      S    65_A     3.190     0    0.055   0.091     4.385   53.571   49.127
LGA    F    66_A      F    66_A     2.536     0    0.018   0.074     3.246   55.357   67.273
LGA    S    67_A      S    67_A     3.190     0    0.070   0.129     4.225   55.357   49.286
LGA    C    68_A      C    68_A     1.995     0    0.024   0.028     2.720   64.881   71.905
LGA    V    69_A      V    69_A     2.920     0    0.046   1.018     5.514   57.143   48.163
LGA    C    70_A      C    70_A     2.050     0    0.019   0.046     3.109   61.071   65.000
LGA    P    71_A      P    71_A     2.728     0    0.045   0.267     2.728   64.881   64.898
LGA    T    72_A      T    72_A     2.584     0    0.068   0.185     3.513   62.976   58.503
LGA    G    73_A      G    73_A     1.564     0    0.037   0.037     1.927   77.143   77.143
LGA    W    74_A      W    74_A     1.144     0    0.032   1.115     5.202   77.143   66.565
LGA    Q    75_A      Q    75_A     2.201     0    0.033   0.698     4.581   68.810   56.561
LGA    G    76_A      G    76_A     2.880     0    0.042   0.042     2.880   59.048   59.048
LGA    Q    77_A      Q    77_A     2.703     0    0.025   0.778     6.694   62.976   47.196
LGA    T    78_A      T    78_A     1.489     0    0.026   0.071     2.030   79.286   75.374
LGA    C    79_A      C    79_A     1.263     0    0.024   0.049     1.507   79.286   81.508
LGA    E    80_A      E    80_A     2.285     0    0.061   1.260     7.756   66.786   41.534
LGA    V    81_A      V    81_A     2.075     0    0.047   0.146     3.222   68.810   61.769
LGA    D    82_A      D    82_A     1.339     0    0.108   0.751     2.765   79.286   75.179
LGA    I    83_A      I    83_A     1.544     0    0.024   0.152     2.261   77.143   76.131
LGA    N    84_A      N    84_A     1.542     0    0.042   0.080     2.680   77.143   71.012
LGA    E    85_A      E    85_A     0.597     0    0.059   0.786     2.487   90.476   85.661
LGA    C    86_A      C    86_A     1.295     0    0.045   0.057     1.972   79.405   77.222
LGA    V    87_A      V    87_A     2.152     0    0.027   1.136     4.507   68.810   60.204
LGA    L    88_A      L    88_A     1.264     0    0.418   1.182     6.049   75.357   56.845
LGA    S    89_A      S    89_A     2.943     0    0.337   0.675     6.818   59.286   47.937
LGA    P    90_A      P    90_A     3.391     0    0.112   0.188     4.584   42.143   45.510
LGA    C    91_A      C    91_A     4.935     0    0.053   0.046     5.575   27.857   30.000
LGA    R    92_A      R    92_A     6.852     0    0.022   1.007    11.328   11.190    8.874
LGA    H    93_A      H    93_A     9.234     0    0.028   0.079    10.608    2.024    0.905
LGA    G    94_A      G    94_A     8.756     0    0.127   0.127     8.756    4.405    4.405
LGA    A    95_A      A    95_A     6.992     0    0.047   0.060     7.543   13.690   13.619
LGA    S    96_A      S    96_A     5.786     0    0.122   0.666     7.596   22.738   19.921
LGA    C    97_A      C    97_A     3.563     0    0.031   0.050     4.372   45.119   49.206
LGA    Q    98_A      Q    98_A     2.447     0    0.038   1.457     6.700   69.048   51.587
LGA    N    99_A      N    99_A     1.232     0    0.044   0.250     2.760   77.143   73.036
LGA    T   100_A      T   100_A     2.098     0    0.120   1.167     3.952   64.881   65.442
LGA    H   101_A      H   101_A     4.494     0    0.456   1.314     6.011   33.333   30.381
LGA    G   102_A      G   102_A     5.275     0    0.196   0.196     5.275   28.810   28.810
LGA    G   103_A      G   103_A     3.281     0    0.105   0.105     3.752   57.738   57.738
LGA    Y   104_A      Y   104_A     1.943     0    0.040   0.102     4.623   64.881   53.056
LGA    R   105_A      R   105_A     2.802     0    0.048   1.483     4.486   55.476   54.935
LGA    C   106_A      C   106_A     4.758     0    0.046   0.053     5.810   29.048   28.968
LGA    H   107_A      H   107_A     6.330     0    0.017   1.240     8.760   14.643   11.190
LGA    C   108_A      C   108_A     8.248     0    0.020   0.083     8.985    4.405    4.206
LGA    Q   109_A      Q   109_A     9.981     0    0.050   1.303    10.619    0.476    9.259
LGA    A   110_A      A   110_A    11.835     0    0.029   0.050    12.552    0.000    0.000
LGA    G   111_A      G   111_A    12.744     0    0.070   0.070    12.744    0.000    0.000
LGA    Y   112_A      Y   112_A    11.100     0    0.038   0.078    12.171    0.000    0.000
LGA    S   113_A      S   113_A    10.219     0    0.019   0.676    11.064    0.238    0.159
LGA    G   114_A      G   114_A     9.152     0    0.034   0.034     9.522    3.452    3.452
LGA    R   115_A      R   115_A     7.160     0    0.019   0.960     7.988   12.976   15.844
LGA    N   116_A      N   116_A     6.345     0    0.031   0.088     6.861   14.286   17.381
LGA    C   117_A      C   117_A     8.260     0    0.048   0.049     8.827    4.405    4.921
LGA    E   118_A      E   118_A     9.138     0    0.031   1.224    10.686    1.071    2.328
LGA    T   119_A      T   119_A    12.152     0    0.175   1.136    14.659    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      113     452    452  100.00     828    828  100.00               113
SUMMARY(RMSD_GDC):     4.250          4.207                  4.641           45.002   41.585

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0     73    2.70    59.956    57.862     2.606

LGA_LOCAL      RMSD:   2.701  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.169  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   4.250  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.301508 * X  +   0.389056 * Y  +  -0.870476 * Z  +  28.964603
  Y_new =   0.560039 * X  +   0.666611 * Y  +   0.491920 * Z  +   2.479183
  Z_new =   0.771654 * X  +  -0.635819 * Y  +  -0.016898 * Z  +   8.682228 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.076927 -0.881437 -1.597367   [DEG:   61.7034  -50.5026  -91.5224 ]
ZXZ: -2.085171  1.587695  2.259983   [DEG: -119.4715   90.9682  129.4875 ]
 
# END of job
