
#######################################################
#                                                     #
#                        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  138 ( 1163),  selected  106 , name one
# Molecule2: number of CA atoms  106 (  891),  selected  106 , 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:   106      12_A - 117_A       3.75     3.75
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88      14_A - 101_A       1.97     5.68
  LCS_AVERAGE:     72.51

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22      36_A - 57_A        0.93     5.05
  LCS_AVERAGE:     13.54

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  106
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     Q    12_A     Q    12_A      4   18  106      3    3    6    7   23   34   41   57   84   90   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     D    13_A     D    13_A      4   64  106      3    7   24   34   51   66   77   83   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     P    14_A     P    14_A     11   88  106      3   15   36   66   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     G    15_A     G    15_A     14   88  106      4    9   14   29   42   66   79   86   87   90   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     I    16_A     I    16_A     17   88  106      3   10   32   66   71   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     N    17_A     N    17_A     17   88  106     17   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     R    18_A     R    18_A     17   88  106     11   47   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     K    19_A     K    19_A     17   88  106     15   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     A    20_A     A    20_A     17   88  106     18   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     I    21_A     I    21_A     17   88  106     24   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     N    22_A     N    22_A     17   88  106     24   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     F    23_A     F    23_A     17   88  106      8   45   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     D    24_A     D    24_A     17   88  106     24   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     L    25_A     L    25_A     17   88  106     24   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     S    26_A     S    26_A     17   88  106     17   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     T    27_A     T    27_A     17   88  106     17   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     K    28_A     K    28_A     17   88  106     17   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     S    29_A     S    29_A     17   88  106     17   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     L    30_A     L    30_A     17   88  106     22   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     E    31_A     E    31_A     17   88  106     17   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     K    32_A     K    32_A     17   88  106     11   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     Y    33_A     Y    33_A     17   88  106      9   24   51   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     F    34_A     F    34_A     16   88  106      3    9   30   52   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     K    35_A     K    35_A     21   88  106      3    7   20   52   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     D    36_A     D    36_A     22   88  106     10   40   59   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     T    37_A     T    37_A     22   88  106     24   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     R    38_A     R    38_A     22   88  106     13   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     E    39_A     E    39_A     22   88  106     11   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     P    40_A     P    40_A     22   88  106     11   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     Y    41_A     Y    41_A     22   88  106     22   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     S    42_A     S    42_A     22   88  106     24   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     L    43_A     L    43_A     22   88  106     24   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     I    44_A     I    44_A     22   88  106     22   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     K    45_A     K    45_A     22   88  106     22   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     K    46_A     K    46_A     22   88  106     18   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     F    47_A     F    47_A     22   88  106     18   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     M    48_A     M    48_A     22   88  106     16   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     L    49_A     L    49_A     22   88  106      9   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     E    50_A     E    50_A     22   88  106     22   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     N    51_A     N    51_A     22   88  106     24   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     G    52_A     G    52_A     22   88  106      9   35   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     F    53_A     F    53_A     22   88  106     24   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     E    54_A     E    54_A     22   88  106     24   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     H    55_A     H    55_A     22   88  106     24   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     R    56_A     R    56_A     22   88  106     11   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     Q    57_A     Q    57_A     22   88  106      3    5   32   61   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     Y    58_A     Y    58_A      4   88  106      3    7   14   24   53   69   82   86   87   90   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     S    59_A     S    59_A      4   88  106      3    5   17   38   56   76   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     G    60_A     G    60_A      4   88  106     24   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     Y    61_A     Y    61_A      4   88  106     24   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     T    62_A     T    62_A      4   88  106     24   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     S    63_A     S    63_A      4   88  106      4   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     K    64_A     K    64_A      4   88  106      3    3    6   18   38   65   71   81   84   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     E    65_A     E    65_A      4   88  106      0    3   56   64   73   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     P    66_A     P    66_A      4   88  106      3    3   21   29   44   74   79   86   87   90   93  101  104  104  104  105  105  106  106  106 
LCS_GDT     I    67_A     I    67_A      9   88  106      7   20   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     N    68_A     N    68_A      9   88  106      5   29   55   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     E    69_A     E    69_A      9   88  106      5   12   27   61   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     R    70_A     R    70_A      9   88  106      5   12   31   63   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     R    71_A     R    71_A      9   88  106     11   31   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     V    72_A     V    72_A      9   88  106      9   46   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     I    73_A     I    73_A      9   88  106      8   29   58   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     R    74_A     R    74_A     10   88  106     24   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     I    75_A     I    75_A     10   88  106     14   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     I    76_A     I    76_A     10   88  106      4   19   49   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     N    77_A     N    77_A     10   88  106      6    9   29   53   70   77   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     K    78_A     K    78_A     10   88  106      7   24   51   64   71   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     L    79_A     L    79_A     10   88  106     10   48   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     T    80_A     T    80_A     10   88  106      6    9   16   65   72   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     K    81_A     K    81_A     10   88  106      6    9   13   33   52   71   79   85   87   90   91   97  104  104  104  105  105  106  106  106 
LCS_GDT     K    82_A     K    82_A     10   88  106      6   17   35   57   68   77   81   86   87   90   93  101  104  104  104  105  105  106  106  106 
LCS_GDT     F    83_A     F    83_A     18   88  106      6   36   58   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     T    84_A     T    84_A     19   88  106      4   18   57   66   73   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     W    85_A     W    85_A     19   88  106      9   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     L    86_A     L    86_A     19   88  106     14   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     G    87_A     G    87_A     19   88  106     14   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     E    88_A     E    88_A     19   88  106     24   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     C    89_A     C    89_A     19   88  106     24   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     V    90_A     V    90_A     19   88  106     24   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     K    91_A     K    91_A     19   88  106     24   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     E    92_A     E    92_A     19   88  106     17   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     F    93_A     F    93_A     19   88  106     24   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     D    94_A     D    94_A     19   88  106     24   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     I    95_A     I    95_A     19   88  106     24   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     T    96_A     T    96_A     19   88  106     24   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     E    97_A     E    97_A     19   88  106     19   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     I    98_A     I    98_A     19   88  106      9   49   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     G    99_A     G    99_A     19   88  106     24   52   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     E   100_A     E   100_A     19   88  106     14   47   60   68   74   79   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     Q   101_A     Q   101_A     19   88  106      4   22   53   66   71   78   82   86   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     Y   102_A     Y   102_A     19   87  106      4   13   37   61   71   78   82   85   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     S   103_A     S   103_A      9   87  106      7    9   22   40   59   76   79   84   87   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     L   104_A     L   104_A      9   21  106      7    8    9   14   23   48   59   70   85   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     K   105_A     K   105_A      9   13  106      7    8   21   36   47   62   75   81   85   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     E   106_A     E   106_A      9   13  106      7    8    9   16   27   40   52   72   85   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     T   107_A     T   107_A      9   13  106      7    8    9   12   16   28   42   54   66   76   92   97  104  104  104  105  105  106  106  106 
LCS_GDT     I   108_A     I   108_A      9   13  106      7    8    9   12   24   31   46   60   68   83   92  101  104  104  104  105  105  106  106  106 
LCS_GDT     Q   109_A     Q   109_A      9   13  106      7    8   10   18   27   35   50   60   74   87   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     D   110_A     D   110_A      9   13  106      7    8    9   12   15   19   26   42   61   64   76   91   96  100  103  105  105  106  106  106 
LCS_GDT     L   111_A     L   111_A      3   13  106      3    4   13   25   41   50   66   80   85   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     C   112_A     C   112_A      3    6  106      3    3    8   19   27   42   61   76   85   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     A   113_A     A   113_A      3    6  106      3    3    4   11   21   32   45   62   74   87   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     K   114_A     K   114_A      3    6  106      3    9   22   37   47   61   71   80   85   91   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     D   115_A     D   115_A      3    6  106      3    3    4    4   41   51   63   77   84   90   95  101  104  104  104  105  105  106  106  106 
LCS_GDT     F   116_A     F   116_A      3    6  106      3    8   14   24   31   58   62   70   76   86   93   99  104  104  104  105  105  106  106  106 
LCS_GDT     H   117_A     H   117_A      3    5  106      0    3    3    3   28   58   63   70   83   89   91   94   96   97  101  104  105  106  106  106 
LCS_AVERAGE  LCS_A:  62.01  (  13.54   72.51  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     24     52     60     68     74     79     82     86     87     91     95    101    104    104    104    105    105    106    106    106 
GDT PERCENT_AT  22.64  49.06  56.60  64.15  69.81  74.53  77.36  81.13  82.08  85.85  89.62  95.28  98.11  98.11  98.11  99.06  99.06 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.63   0.77   1.05   1.33   1.47   1.61   1.83   1.89   2.80   3.00   3.37   3.54   3.54   3.54   3.66   3.63   3.75   3.75   3.75
GDT RMS_ALL_AT   5.48   5.66   5.53   5.49   5.45   5.58   5.33   5.63   5.71   3.89   3.82   3.77   3.76   3.76   3.76   3.76   3.76   3.75   3.75   3.75

# Checking swapping
#   possible swapping detected:  Y    41_A      Y    41_A
#   possible swapping detected:  F    47_A      F    47_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  Y    58_A      Y    58_A
#   possible swapping detected:  F    83_A      F    83_A
#   possible swapping detected:  F    93_A      F    93_A
#   possible swapping detected:  D   110_A      D   110_A
#   possible swapping detected:  D   115_A      D   115_A
#   possible swapping detected:  F   116_A      F   116_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    12_A      Q    12_A     8.815     0    0.308   0.527    14.944    6.905    3.122
LGA    D    13_A      D    13_A     5.481     0    0.235   0.891     7.507   37.619   23.452
LGA    P    14_A      P    14_A     2.612     0    0.669   0.575     5.823   43.214   43.333
LGA    G    15_A      G    15_A     4.585     0    0.133   0.133     5.273   36.190   36.190
LGA    I    16_A      I    16_A     3.150     0    0.038   1.086     8.787   67.500   42.381
LGA    N    17_A      N    17_A     0.544     0    0.127   0.841     2.709   88.214   74.583
LGA    R    18_A      R    18_A     1.812     0    0.064   1.319     4.819   77.143   57.056
LGA    K    19_A      K    19_A     1.268     0    0.059   0.621     2.192   81.429   82.593
LGA    A    20_A      A    20_A     0.946     0    0.053   0.056     1.059   88.214   86.857
LGA    I    21_A      I    21_A     0.576     0    0.026   0.993     2.371   95.238   83.214
LGA    N    22_A      N    22_A     0.311     0    0.065   1.366     5.151   92.976   71.964
LGA    F    23_A      F    23_A     1.334     0    0.117   0.980     2.814   88.214   76.407
LGA    D    24_A      D    24_A     0.443     0    0.018   0.220     0.788   92.857   92.857
LGA    L    25_A      L    25_A     0.462     0    0.029   0.066     0.894  100.000   95.238
LGA    S    26_A      S    26_A     0.603     0    0.060   0.142     1.292   92.857   90.556
LGA    T    27_A      T    27_A     0.834     0    0.036   1.098     2.617   90.476   82.041
LGA    K    28_A      K    28_A     1.203     0    0.028   1.543     7.459   83.690   56.561
LGA    S    29_A      S    29_A     1.130     0    0.051   0.654     2.458   81.429   78.651
LGA    L    30_A      L    30_A     0.437     0    0.076   1.382     3.195   95.238   82.619
LGA    E    31_A      E    31_A     1.259     0    0.136   0.764     3.948   83.690   70.000
LGA    K    32_A      K    32_A     1.373     0    0.119   1.035     8.001   81.429   51.429
LGA    Y    33_A      Y    33_A     2.192     0    0.152   1.169     3.835   64.881   66.071
LGA    F    34_A      F    34_A     3.082     0    0.563   1.359     4.747   49.048   65.368
LGA    K    35_A      K    35_A     3.045     0    0.485   0.826     3.759   50.119   56.984
LGA    D    36_A      D    36_A     1.404     0    0.161   0.973     5.014   79.286   63.929
LGA    T    37_A      T    37_A     0.992     0    0.226   1.165     4.073   83.810   72.857
LGA    R    38_A      R    38_A     1.191     0    0.091   1.344     8.702   81.429   47.879
LGA    E    39_A      E    39_A     1.324     0    0.054   0.260     1.794   81.429   80.529
LGA    P    40_A      P    40_A     1.194     0    0.053   0.335     2.209   83.690   79.116
LGA    Y    41_A      Y    41_A     0.839     0    0.052   0.320     1.111   90.595   90.516
LGA    S    42_A      S    42_A     0.894     0    0.049   0.095     1.475   90.476   87.460
LGA    L    43_A      L    43_A     0.631     0    0.030   0.057     1.214   95.238   89.464
LGA    I    44_A      I    44_A     0.245     0    0.022   1.270     3.012   97.619   81.845
LGA    K    45_A      K    45_A     0.512     0    0.058   0.903     2.579   92.857   85.820
LGA    K    46_A      K    46_A     0.770     0    0.026   0.375     1.746   90.476   87.513
LGA    F    47_A      F    47_A     0.762     0    0.043   0.194     0.982   90.476   90.476
LGA    M    48_A      M    48_A     0.876     0    0.039   0.645     2.335   90.476   81.845
LGA    L    49_A      L    49_A     0.787     0    0.052   1.241     4.246   90.476   79.405
LGA    E    50_A      E    50_A     0.621     0    0.121   0.826     4.376   90.476   69.577
LGA    N    51_A      N    51_A     0.681     0    0.296   0.462     3.622   86.071   74.762
LGA    G    52_A      G    52_A     1.272     0    0.089   0.089     1.656   83.810   83.810
LGA    F    53_A      F    53_A     0.483     0    0.059   0.171     1.250   95.238   92.294
LGA    E    54_A      E    54_A     1.048     0    0.036   1.135     3.995   88.214   77.407
LGA    H    55_A      H    55_A     0.791     0    0.131   1.199     6.451   92.857   65.857
LGA    R    56_A      R    56_A     1.146     0    0.594   1.126     5.307   75.357   59.957
LGA    Q    57_A      Q    57_A     2.710     0    0.694   0.818     7.896   46.667   31.005
LGA    Y    58_A      Y    58_A     4.207     0    0.544   1.286    12.990   46.786   20.635
LGA    S    59_A      S    59_A     3.719     0    0.268   0.833     6.320   45.238   38.254
LGA    G    60_A      G    60_A     0.275     0    0.143   0.143     0.934   97.619   97.619
LGA    Y    61_A      Y    61_A     0.724     0    0.165   0.219     1.276   88.214   88.968
LGA    T    62_A      T    62_A     0.872     0    0.073   1.186     2.950   88.214   80.612
LGA    S    63_A      S    63_A     1.406     0    0.130   0.789     3.592   65.833   70.079
LGA    K    64_A      K    64_A     5.696     0    0.263   0.412    11.248   26.786   13.757
LGA    E    65_A      E    65_A     2.792     0    0.585   1.467     4.840   52.143   50.688
LGA    P    66_A      P    66_A     4.240     0    0.676   0.659     6.582   48.810   38.435
LGA    I    67_A      I    67_A     1.482     0    0.077   0.187     4.220   75.119   68.512
LGA    N    68_A      N    68_A     2.073     0    0.098   0.514     4.198   72.976   61.667
LGA    E    69_A      E    69_A     2.790     0    0.092   1.267     8.118   59.048   38.307
LGA    R    70_A      R    70_A     2.818     0    0.028   1.110     3.629   62.976   57.532
LGA    R    71_A      R    71_A     1.616     0    0.063   1.528     8.829   81.667   49.351
LGA    V    72_A      V    72_A     0.862     0    0.027   1.015     3.576   85.952   77.347
LGA    I    73_A      I    73_A     1.623     0    0.137   0.440     2.989   79.286   70.119
LGA    R    74_A      R    74_A     0.157     0    0.052   1.492     5.251   95.238   70.736
LGA    I    75_A      I    75_A     0.557     0    0.109   1.290     3.726   92.857   83.512
LGA    I    76_A      I    76_A     2.184     0    0.088   0.100     3.494   66.786   59.286
LGA    N    77_A      N    77_A     3.525     0    0.046   1.369     8.852   50.119   32.976
LGA    K    78_A      K    78_A     3.106     0    0.033   0.802     6.524   55.476   39.471
LGA    L    79_A      L    79_A     1.059     0    0.068   1.359     4.754   85.952   74.286
LGA    T    80_A      T    80_A     2.582     0    0.082   1.095     5.717   57.500   52.517
LGA    K    81_A      K    81_A     4.907     0    0.032   1.153     7.867   33.095   21.270
LGA    K    82_A      K    82_A     4.148     0    0.049   0.807     9.331   41.905   26.931
LGA    F    83_A      F    83_A     1.605     0    0.165   0.317     3.019   75.119   69.481
LGA    T    84_A      T    84_A     2.018     0    0.198   1.007     5.296   70.952   64.082
LGA    W    85_A      W    85_A     1.650     0    0.186   0.332     1.650   79.286   82.789
LGA    L    86_A      L    86_A     1.555     0    0.052   1.321     3.692   77.143   66.488
LGA    G    87_A      G    87_A     1.461     0    0.057   0.057     1.514   79.286   79.286
LGA    E    88_A      E    88_A     0.982     0    0.057   0.838     3.194   88.214   79.048
LGA    C    89_A      C    89_A     0.948     0    0.141   0.711     3.302   88.214   80.714
LGA    V    90_A      V    90_A     0.851     0    0.021   1.128     3.244   90.476   81.020
LGA    K    91_A      K    91_A     0.759     0    0.088   0.517     2.162   88.214   84.603
LGA    E    92_A      E    92_A     0.876     0    0.032   1.040     2.125   90.476   83.651
LGA    F    93_A      F    93_A     0.603     0    0.118   1.094     6.103   90.476   65.065
LGA    D    94_A      D    94_A     0.643     0    0.042   0.822     2.747   90.476   80.893
LGA    I    95_A      I    95_A     0.679     0    0.048   0.082     1.010   90.476   89.345
LGA    T    96_A      T    96_A     0.754     0    0.035   1.221     3.233   90.476   81.020
LGA    E    97_A      E    97_A     0.921     0    0.057   1.188     4.725   83.810   68.519
LGA    I    98_A      I    98_A     1.966     0    0.116   1.275     4.851   79.286   70.000
LGA    G    99_A      G    99_A     0.626     0    0.432   0.432     2.978   77.619   77.619
LGA    E   100_A      E   100_A     2.209     0    0.021   0.858     5.693   62.976   49.524
LGA    Q   101_A      Q   101_A     3.734     0    0.102   1.090     4.498   41.905   39.947
LGA    Y   102_A      Y   102_A     4.681     0    0.128   1.221    10.827   30.238   19.960
LGA    S   103_A      S   103_A     6.575     0    0.082   0.740     9.023   10.833   12.460
LGA    L   104_A      L   104_A     9.461     0    0.174   1.410    13.566    2.262    1.310
LGA    K   105_A      K   105_A     9.586     0    0.057   0.924    15.125    0.476    0.423
LGA    E   106_A      E   106_A    13.134     0    0.041   1.103    14.974    0.000    0.000
LGA    T   107_A      T   107_A    14.529     0    0.024   1.079    16.000    0.000    0.000
LGA    I   108_A      I   108_A    13.784     0    0.036   1.383    15.562    0.000    0.179
LGA    Q   109_A      Q   109_A    15.421     0    0.037   1.265    17.924    0.000    0.000
LGA    D   110_A      D   110_A    18.590     0    0.617   1.185    24.439    0.000    0.000
LGA    L   111_A      L   111_A    14.096     0    0.618   0.679    16.184    0.000    0.060
LGA    C   112_A      C   112_A    15.483     0    0.607   0.879    16.342    0.000    0.000
LGA    A   113_A      A   113_A    18.402     0    0.665   0.596    20.735    0.000    0.000
LGA    K   114_A      K   114_A    14.514     0    0.472   0.991    15.255    0.000    0.000
LGA    D   115_A      D   115_A    16.327     0    0.602   0.868    21.012    0.000    0.000
LGA    F   116_A      F   116_A    12.294     0    0.618   1.471    13.381    0.119    0.043
LGA    H   117_A      H   117_A     9.982     0    0.533   1.206    14.657    0.119    0.190

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      106     424    424  100.00     891    891  100.00               106
SUMMARY(RMSD_GDC):     3.752          3.739                  4.559           65.095   57.108

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  138  106    4.0     86    1.83    73.349    75.281     4.460

LGA_LOCAL      RMSD:   1.828  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.630  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   3.752  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.652192 * X  +  -0.754420 * Y  +  -0.074135 * Z  + -19.303461
  Y_new =  -0.526784 * X  +  -0.521371 * Y  +   0.671320 * Z  + -29.708014
  Z_new =  -0.545109 * X  +  -0.398776 * Y  +  -0.737451 * Z  +  52.166622 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.679427  0.576519 -2.645879   [DEG:  -38.9283   33.0321 -151.5977 ]
ZXZ: -3.031607  2.400084 -2.202386   [DEG: -173.6983  137.5147 -126.1875 ]
 
# END of job
