
#######################################################
#                                                     #
#                        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       3.61     3.61
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88      16_A - 103_A       1.99     4.76
  LCS_AVERAGE:     72.60

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40      17_A - 56_A        0.98     5.43
  LCS_AVERAGE:     21.52

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      3   18  106      3    3   12   28   44   64   80   85   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     D    13_A     D    13_A      4   45  106      3    5   17   29   39   49   73   80   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     P    14_A     P    14_A      4   63  106      3    3   22   28   38   65   79   83   86   90   96  101  104  104  105  105  105  105  106  106 
LCS_GDT     G    15_A     G    15_A      7   87  106      3    8   12   28   36   47   63   79   86   91   97  101  104  104  105  105  105  105  106  106 
LCS_GDT     I    16_A     I    16_A     13   88  106      3    9   26   58   70   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     N    17_A     N    17_A     40   88  106     16   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     R    18_A     R    18_A     40   88  106     11   46   62   66   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     K    19_A     K    19_A     40   88  106     20   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     A    20_A     A    20_A     40   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     I    21_A     I    21_A     40   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     N    22_A     N    22_A     40   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     F    23_A     F    23_A     40   88  106     15   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     D    24_A     D    24_A     40   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     L    25_A     L    25_A     40   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     S    26_A     S    26_A     40   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     T    27_A     T    27_A     40   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     K    28_A     K    28_A     40   88  106     28   51   62   67   74   78   81   86   90   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     S    29_A     S    29_A     40   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     L    30_A     L    30_A     40   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     E    31_A     E    31_A     40   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     K    32_A     K    32_A     40   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     Y    33_A     Y    33_A     40   88  106      8   28   58   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     F    34_A     F    34_A     40   88  106      3    6   10   60   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     K    35_A     K    35_A     40   88  106      3    6   10   62   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     D    36_A     D    36_A     40   88  106      9   40   61   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     T    37_A     T    37_A     40   88  106     24   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     R    38_A     R    38_A     40   88  106     10   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     E    39_A     E    39_A     40   88  106     16   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     P    40_A     P    40_A     40   88  106     11   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     Y    41_A     Y    41_A     40   88  106     21   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     S    42_A     S    42_A     40   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     L    43_A     L    43_A     40   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     I    44_A     I    44_A     40   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     K    45_A     K    45_A     40   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     K    46_A     K    46_A     40   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     F    47_A     F    47_A     40   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     M    48_A     M    48_A     40   88  106     20   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     L    49_A     L    49_A     40   88  106     20   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     E    50_A     E    50_A     40   88  106     20   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     N    51_A     N    51_A     40   88  106     11   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     G    52_A     G    52_A     40   88  106     11   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     F    53_A     F    53_A     40   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     E    54_A     E    54_A     40   88  106     15   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     H    55_A     H    55_A     40   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     R    56_A     R    56_A     40   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     Q    57_A     Q    57_A     22   88  106      3    4   11   20   63   76   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     Y    58_A     Y    58_A      4   88  106      3    4   10   21   36   64   80   86   87   95  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     S    59_A     S    59_A      4   88  106      3    6   16   38   56   74   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     G    60_A     G    60_A      6   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     Y    61_A     Y    61_A      6   88  106     19   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     T    62_A     T    62_A      6   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     S    63_A     S    63_A      6   88  106      3   26   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     K    64_A     K    64_A      6   88  106      3    5   11   43   63   75   81   86   90   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     E    65_A     E    65_A      6   88  106      8   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     P    66_A     P    66_A      6   88  106      3    8   17   24   71   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     I    67_A     I    67_A      6   88  106      3   50   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     N    68_A     N    68_A      7   88  106      4   21   45   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     E    69_A     E    69_A      9   88  106      4   11   29   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     R    70_A     R    70_A     14   88  106      9   41   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     R    71_A     R    71_A     15   88  106     11   49   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     V    72_A     V    72_A     15   88  106     10   14   44   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     I    73_A     I    73_A     15   88  106     10   14   22   31   68   77   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     R    74_A     R    74_A     15   88  106     10   14   51   66   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     I    75_A     I    75_A     15   88  106     10   42   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     I    76_A     I    76_A     15   88  106     10   26   47   66   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     N    77_A     N    77_A     15   88  106     10   14   15   39   60   77   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     K    78_A     K    78_A     15   88  106     10   18   41   62   71   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     L    79_A     L    79_A     15   88  106     10   45   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     T    80_A     T    80_A     15   88  106     10   14   20   66   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     K    81_A     K    81_A     15   88  106     10   14   15   29   51   75   81   84   87   90   97  102  104  104  105  105  105  105  106  106 
LCS_GDT     K    82_A     K    82_A     15   88  106     10   18   37   57   69   78   81   86   87   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     F    83_A     F    83_A     18   88  106      4   44   61   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     T    84_A     T    84_A     18   88  106      4   19   59   66   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     W    85_A     W    85_A     18   88  106     14   50   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     L    86_A     L    86_A     18   88  106     15   34   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     G    87_A     G    87_A     18   88  106     10   39   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     E    88_A     E    88_A     18   88  106     20   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     C    89_A     C    89_A     18   88  106     27   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     V    90_A     V    90_A     18   88  106     27   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     K    91_A     K    91_A     18   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     E    92_A     E    92_A     18   88  106     19   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     F    93_A     F    93_A     18   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     D    94_A     D    94_A     18   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     I    95_A     I    95_A     18   88  106     22   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     T    96_A     T    96_A     18   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     E    97_A     E    97_A     18   88  106     28   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     I    98_A     I    98_A     18   88  106     17   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     G    99_A     G    99_A     18   88  106     16   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     E   100_A     E   100_A     18   88  106     14   51   62   67   74   78   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     Q   101_A     Q   101_A     18   88  106      6   18   48   65   71   77   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     Y   102_A     Y   102_A     18   88  106      4   13   37   60   71   77   81   86   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     S   103_A     S   103_A     13   88  106      6   11   17   31   47   68   81   85   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     L   104_A     L   104_A     13   22  106      3   11   17   30   40   54   72   85   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     K   105_A     K   105_A     13   18  106      6   11   17   30   39   54   65   85   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     E   106_A     E   106_A     13   18  106      3    8   17   30   40   54   65   85   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     T   107_A     T   107_A     13   18  106      4   11   17   30   40   54   65   83   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     I   108_A     I   108_A     13   18  106      6   11   17   30   39   54   64   74   90   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     Q   109_A     Q   109_A     13   18  106      6   11   17   30   39   48   62   71   86   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     D   110_A     D   110_A     13   18  106      6   10   17   30   39   49   62   71   86   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     L   111_A     L   111_A      9   18  106      3    9   16   27   40   54   64   81   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     C   112_A     C   112_A      5   17  106      3    5    7   17   23   45   62   79   90   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     A   113_A     A   113_A      5    7  106      3    5    6    6   22   30   53   74   85   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     K   114_A     K   114_A      5    7  106      3    5   19   35   48   68   80   85   91   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     D   115_A     D   115_A      5    7  106      3    9   17   30   40   54   64   75   87   96  101  102  104  104  105  105  105  105  106  106 
LCS_GDT     F   116_A     F   116_A      3    7  106      3    3    6    8   10   16   22   29   54   63   73   77   99  103  105  105  105  105  106  106 
LCS_GDT     H   117_A     H   117_A      3    7  106      3    3    3    3    6    8   12   12   13   19   51   55   60   66   87   98  100  105  106  106 
LCS_AVERAGE  LCS_A:  64.71  (  21.52   72.60  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     51     62     67     74     78     81     86     91     96    101    102    104    104    105    105    105    105    106    106 
GDT PERCENT_AT  26.42  48.11  58.49  63.21  69.81  73.58  76.42  81.13  85.85  90.57  95.28  96.23  98.11  98.11  99.06  99.06  99.06  99.06 100.00 100.00
GDT RMS_LOCAL    0.38   0.60   0.79   1.05   1.26   1.47   1.58   1.83   2.65   2.83   3.14   3.20   3.32   3.32   3.44   3.44   3.44   3.44   3.61   3.61
GDT RMS_ALL_AT   5.35   5.27   5.13   5.12   5.11   5.22   4.90   4.88   3.74   3.72   3.66   3.66   3.66   3.66   3.63   3.63   3.63   3.63   3.61   3.61

# Checking swapping
#   possible swapping detected:  F    23_A      F    23_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  Y    41_A      Y    41_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  Y    58_A      Y    58_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  F    83_A      F    83_A
#   possible swapping detected:  F    93_A      F    93_A
#   possible swapping detected:  E   100_A      E   100_A
#   possible swapping detected:  Y   102_A      Y   102_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     5.912     0    0.125   0.680    14.125   29.048   14.180
LGA    D    13_A      D    13_A     6.194     0    0.264   0.304    11.672   29.524   15.655
LGA    P    14_A      P    14_A     6.021     0    0.679   0.589     8.178   14.167   11.361
LGA    G    15_A      G    15_A     6.749     0    0.273   0.273     7.047   15.476   15.476
LGA    I    16_A      I    16_A     4.007     0    0.023   1.107     9.346   59.405   37.083
LGA    N    17_A      N    17_A     1.054     0    0.163   1.142     5.350   86.548   63.750
LGA    R    18_A      R    18_A     1.235     0    0.063   0.591     3.470   83.690   67.576
LGA    K    19_A      K    19_A     0.635     0    0.045   0.755     4.511   90.476   82.011
LGA    A    20_A      A    20_A     0.353     0    0.076   0.071     0.519   97.619   96.190
LGA    I    21_A      I    21_A     0.282     0    0.023   0.944     2.442  100.000   88.810
LGA    N    22_A      N    22_A     0.469     0    0.030   0.317     0.979   95.238   95.238
LGA    F    23_A      F    23_A     0.984     0    0.043   0.236     1.736   90.476   83.983
LGA    D    24_A      D    24_A     0.423     0    0.012   0.271     0.876   95.238   92.857
LGA    L    25_A      L    25_A     0.435     0    0.031   0.064     1.156  100.000   94.107
LGA    S    26_A      S    26_A     0.702     0    0.057   0.718     2.794   92.857   86.508
LGA    T    27_A      T    27_A     0.914     0    0.035   1.102     2.998   88.214   81.905
LGA    K    28_A      K    28_A     1.165     0    0.025   1.574     8.217   83.690   57.725
LGA    S    29_A      S    29_A     0.991     0    0.048   0.646     2.384   88.214   84.683
LGA    L    30_A      L    30_A     0.608     0    0.061   1.371     3.411   92.857   81.190
LGA    E    31_A      E    31_A     0.906     0    0.153   0.951     4.324   88.214   76.138
LGA    K    32_A      K    32_A     1.185     0    0.112   1.535    11.097   81.429   50.635
LGA    Y    33_A      Y    33_A     2.208     0    0.167   0.268     3.432   66.786   58.571
LGA    F    34_A      F    34_A     2.793     0    0.581   1.371     4.206   54.048   66.840
LGA    K    35_A      K    35_A     2.770     0    0.445   0.879     3.908   57.262   57.460
LGA    D    36_A      D    36_A     1.314     0    0.111   0.908     4.937   83.810   66.071
LGA    T    37_A      T    37_A     0.768     0    0.200   1.160     3.925   85.952   77.347
LGA    R    38_A      R    38_A     1.194     0    0.121   1.403     9.431   85.952   49.351
LGA    E    39_A      E    39_A     1.170     0    0.068   0.997     5.287   83.690   65.132
LGA    P    40_A      P    40_A     1.136     0    0.054   0.143     1.463   85.952   84.014
LGA    Y    41_A      Y    41_A     0.832     0    0.061   0.288     1.347   90.595   85.238
LGA    S    42_A      S    42_A     0.746     0    0.054   0.637     1.452   90.476   87.460
LGA    L    43_A      L    43_A     0.645     0    0.032   0.068     1.300   95.238   89.464
LGA    I    44_A      I    44_A     0.448     0    0.022   1.266     3.072  100.000   80.952
LGA    K    45_A      K    45_A     0.223     0    0.035   1.007     3.154   97.619   89.206
LGA    K    46_A      K    46_A     0.414     0    0.026   0.807     2.854   97.619   82.434
LGA    F    47_A      F    47_A     0.386     0    0.042   0.386     2.682   95.238   81.429
LGA    M    48_A      M    48_A     0.797     0    0.045   0.803     2.243   90.476   86.131
LGA    L    49_A      L    49_A     0.874     0    0.058   1.025     4.418   88.214   75.298
LGA    E    50_A      E    50_A     0.832     0    0.095   0.149     1.658   90.476   86.508
LGA    N    51_A      N    51_A     0.970     0    0.277   0.901     4.493   92.857   72.143
LGA    G    52_A      G    52_A     0.784     0    0.101   0.101     1.083   88.214   88.214
LGA    F    53_A      F    53_A     0.661     0    0.055   0.185     1.633   90.476   86.450
LGA    E    54_A      E    54_A     0.982     0    0.051   0.688     2.271   90.476   81.799
LGA    H    55_A      H    55_A     0.877     0    0.033   1.076     2.642   88.214   78.381
LGA    R    56_A      R    56_A     0.843     0    0.344   1.389     7.167   88.214   61.905
LGA    Q    57_A      Q    57_A     4.026     0    0.669   1.122    10.346   35.357   18.519
LGA    Y    58_A      Y    58_A     4.468     0    0.550   1.160    14.422   45.119   17.143
LGA    S    59_A      S    59_A     3.817     0    0.419   0.918     5.238   45.238   41.746
LGA    G    60_A      G    60_A     0.145     0    0.139   0.139     1.206   95.357   95.357
LGA    Y    61_A      Y    61_A     0.534     0    0.152   0.148     0.782   95.238   92.063
LGA    T    62_A      T    62_A     0.606     0    0.121   1.208     2.665   92.857   84.558
LGA    S    63_A      S    63_A     1.540     0    0.069   0.620     3.339   75.000   70.476
LGA    K    64_A      K    64_A     3.445     0    0.019   0.594     9.071   51.905   33.545
LGA    E    65_A      E    65_A     1.483     0    0.418   1.361     4.130   75.119   66.455
LGA    P    66_A      P    66_A     2.963     0    0.596   0.522     4.377   56.071   52.789
LGA    I    67_A      I    67_A     1.009     0    0.055   0.154     3.887   77.262   70.357
LGA    N    68_A      N    68_A     3.064     0    0.193   0.832     4.011   61.190   58.571
LGA    E    69_A      E    69_A     2.723     0    0.077   0.878     5.985   60.952   46.243
LGA    R    70_A      R    70_A     1.275     0    0.025   1.234     4.647   83.810   73.377
LGA    R    71_A      R    71_A     1.045     0    0.123   0.908     6.829   83.690   56.494
LGA    V    72_A      V    72_A     2.738     0    0.053   0.120     4.877   60.952   50.816
LGA    I    73_A      I    73_A     3.543     0    0.069   0.729     5.803   51.905   40.476
LGA    R    74_A      R    74_A     2.497     0    0.054   1.083    10.673   66.786   38.874
LGA    I    75_A      I    75_A     1.310     0    0.035   1.333     5.150   85.952   73.750
LGA    I    76_A      I    76_A     2.418     0    0.042   1.188     3.973   66.786   56.786
LGA    N    77_A      N    77_A     3.617     0    0.063   1.341     9.262   50.119   31.310
LGA    K    78_A      K    78_A     3.248     0    0.045   0.792     8.292   55.476   35.185
LGA    L    79_A      L    79_A     1.159     0    0.097   1.143     3.648   88.333   73.929
LGA    T    80_A      T    80_A     2.456     0    0.059   1.112     5.750   63.333   55.850
LGA    K    81_A      K    81_A     4.613     0    0.033   0.829     6.432   36.190   27.619
LGA    K    82_A      K    82_A     3.997     0    0.060   1.059     7.352   45.000   35.873
LGA    F    83_A      F    83_A     1.463     0    0.155   0.367     3.098   77.262   69.567
LGA    T    84_A      T    84_A     2.090     0    0.184   1.214     5.184   70.952   59.592
LGA    W    85_A      W    85_A     1.800     0    0.197   0.354     1.800   75.000   77.755
LGA    L    86_A      L    86_A     1.802     0    0.040   0.311     2.106   75.000   72.917
LGA    G    87_A      G    87_A     1.700     0    0.054   0.054     1.740   75.000   75.000
LGA    E    88_A      E    88_A     0.969     0    0.043   0.409     1.977   88.214   85.608
LGA    C    89_A      C    89_A     0.910     0    0.146   0.143     1.470   90.595   87.540
LGA    V    90_A      V    90_A     0.844     0    0.031   1.144     3.592   90.476   78.776
LGA    K    91_A      K    91_A     0.426     0    0.077   0.889     2.842   92.857   81.270
LGA    E    92_A      E    92_A     0.690     0    0.028   0.299     0.884   95.238   92.593
LGA    F    93_A      F    93_A     0.510     0    0.076   0.521     1.843   90.476   88.095
LGA    D    94_A      D    94_A     0.760     0    0.062   0.847     3.684   95.238   76.607
LGA    I    95_A      I    95_A     0.575     0    0.089   0.635     1.589   90.476   84.881
LGA    T    96_A      T    96_A     0.663     0    0.047   1.205     2.834   92.857   82.313
LGA    E    97_A      E    97_A     0.869     0    0.070   1.479     5.187   88.214   70.582
LGA    I    98_A      I    98_A     1.143     0    0.091   0.746     2.193   88.214   80.714
LGA    G    99_A      G    99_A     0.559     0    0.506   0.506     3.306   78.095   78.095
LGA    E   100_A      E   100_A     0.676     0    0.036   1.015     4.917   84.048   70.423
LGA    Q   101_A      Q   101_A     3.088     0    0.130   0.335     7.205   53.690   37.302
LGA    Y   102_A      Y   102_A     3.763     0    0.116   1.253     9.521   39.048   25.675
LGA    S   103_A      S   103_A     6.541     0    0.038   0.091     8.405   13.690   11.587
LGA    L   104_A      L   104_A     8.495     0    0.165   1.410    12.238    4.405    3.631
LGA    K   105_A      K   105_A     9.183     0    0.095   1.320    14.697    1.548    0.899
LGA    E   106_A      E   106_A     9.833     0    0.086   0.687    10.817    0.476    0.423
LGA    T   107_A      T   107_A    10.439     0    0.020   1.121    11.881    0.000    0.000
LGA    I   108_A      I   108_A    10.884     0    0.034   1.378    11.926    0.000    0.357
LGA    Q   109_A      Q   109_A    12.244     0    0.038   0.342    13.357    0.000    0.000
LGA    D   110_A      D   110_A    12.580     0    0.615   0.711    13.943    0.000    0.000
LGA    L   111_A      L   111_A    11.800     0    0.628   0.657    14.729    0.119    0.060
LGA    C   112_A      C   112_A    11.715     0    0.425   0.671    13.036    0.000    0.000
LGA    A   113_A      A   113_A    14.300     0    0.696   0.626    16.575    0.000    0.000
LGA    K   114_A      K   114_A    10.232     0    0.321   0.895    11.917    0.000   13.598
LGA    D   115_A      D   115_A    15.192     0    0.527   1.286    19.450    0.000    0.000
LGA    F   116_A      F   116_A    14.070     0    0.109   1.434    18.496    0.000    0.000
LGA    H   117_A      H   117_A    14.672     0    0.497   1.145    22.560    0.000    0.000

# 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):     3.615          3.543                  4.609           66.381   57.725

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  138  106    4.0     86    1.83    72.877    75.850     4.458

LGA_LOCAL      RMSD:   1.829  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.881  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   3.615  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.669064 * X  +  -0.737753 * Y  +  -0.089855 * Z  + -20.107714
  Y_new =  -0.562772 * X  +  -0.581881 * Y  +   0.587113 * Z  + -23.960835
  Z_new =  -0.485429 * X  +  -0.342248 * Y  +  -0.804503 * Z  +  50.620556 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.699324  0.506854 -2.739370   [DEG:  -40.0683   29.0406 -156.9543 ]
ZXZ: -2.989726  2.505634 -2.184898   [DEG: -171.2987  143.5622 -125.1855 ]
 
# END of job
