
#######################################################
#                                                     #
#                        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  107 (  798),  selected  107 , name one
# Molecule2: number of CA atoms  112 (  831),  selected  107 , 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:   107       6_A - 112_A       4.18     4.18
  LCS_AVERAGE:     95.54

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27      10_A - 36_A        1.99     4.65
  LONGEST_CONTINUOUS_SEGMENT:    27      14_A - 40_A        1.94     4.64
  LONGEST_CONTINUOUS_SEGMENT:    27      15_A - 41_A        2.00     4.77
  LCS_AVERAGE:     18.40

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14      17_A - 30_A        0.97     6.21
  LONGEST_CONTINUOUS_SEGMENT:    14      18_A - 31_A        0.98     5.95
  LONGEST_CONTINUOUS_SEGMENT:    14      36_A - 49_A        0.98     8.15
  LONGEST_CONTINUOUS_SEGMENT:    14      37_A - 50_A        0.98     7.26
  LONGEST_CONTINUOUS_SEGMENT:    14      66_A - 79_A        0.96     6.19
  LCS_AVERAGE:      9.34

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  107
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     L     6_A     L     6_A      3    8  107      0    3    3    4    6    7    7    7   12   16   17   21   23   30   30   35   48   50   59   63 
LCS_GDT     P     7_A     P     7_A      7    8  107      5    7    7    7    7    8   11   12   14   18   22   39   49   56   70   84  100  104  105  105 
LCS_GDT     L     8_A     L     8_A      7    8  107      5    7    7    7    7    9   11   20   37   44   60   73   82   95  101  102  105  105  105  105 
LCS_GDT     K     9_A     K     9_A      7    8  107      5    7    7    9   15   28   43   55   66   87   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     V    10_A     V    10_A      7   27  107      5    7   13   28   43   63   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     T    11_A     T    11_A      7   27  107      6   16   27   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     H    12_A     H    12_A     11   27  107      6   18   23   33   44   60   77   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     T    13_A     T    13_A     11   27  107      6   12   24   33   45   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     T    14_A     T    14_A     11   27  107      6   12   25   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     L    15_A     L    15_A     11   27  107      6   12   27   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     C    16_A     C    16_A     11   27  107      6    8   20   35   46   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     W    17_A     W    17_A     14   27  107      5   12   27   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     G    18_A     G    18_A     14   27  107      5   12   25   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     S    19_A     S    19_A     14   27  107      5   12   25   38   49   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     T    20_A     T    20_A     14   27  107      5   18   27   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     K    21_A     K    21_A     14   27  107      5   18   27   38   50   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     L    22_A     L    22_A     14   27  107      5   18   27   38   50   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     R    23_A     R    23_A     14   27  107      6   18   25   36   48   60   73   86   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     T    24_A     T    24_A     14   27  107      5   18   25   37   49   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     D    25_A     D    25_A     14   27  107      4   18   25   37   49   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     V    26_A     V    26_A     14   27  107      6   18   27   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     R    27_A     R    27_A     14   27  107      6   18   27   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     K    28_A     K    28_A     14   27  107      5   18   27   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     S    29_A     S    29_A     14   27  107      6   18   27   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     M    30_A     M    30_A     14   27  107      6   17   27   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     Q    31_A     Q    31_A     14   27  107      5   17   27   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     V    32_A     V    32_A     11   27  107      5   13   27   37   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     K    33_A     K    33_A      9   27  107      5   13   24   37   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     N    34_A     N    34_A      9   27  107      5    9   18   34   48   63   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     T    35_A     T    35_A     13   27  107      4    8   13   29   44   56   77   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     A    36_A     A    36_A     14   27  107      4   16   24   37   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     D    37_A     D    37_A     14   27  107      4    9   20   34   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     K    38_A     K    38_A     14   27  107      5    9   20   35   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     R    39_A     R    39_A     14   27  107      5    9   17   33   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     L    40_A     L    40_A     14   27  107      5    9   17   32   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     V    41_A     V    41_A     14   27  107      5   10   17   30   45   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     I    42_A     I    42_A     14   23  107      4   10   17   30   44   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     R    43_A     R    43_A     14   23  107      3   10   17   30   45   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     L    44_A     L    44_A     14   23  107      4   10   17   30   46   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     G    45_A     G    45_A     14   23  107      4   10   17   33   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     I    46_A     I    46_A     14   23  107      4   10   17   33   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     Q    47_A     Q    47_A     14   23  107      4   10   19   34   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     G    48_A     G    48_A     14   23  107      3   10   17   32   49   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     P    49_A     P    49_A     14   23  107      5   10   17   24   41   54   70   82   90   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     G    50_A     G    50_A     14   23  107      4   10   17   24   34   52   65   77   90   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     F    51_A     F    51_A      5   23  107      4    6   21   35   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     Q    52_A     Q    52_A      5   16  107      4    6   15   31   47   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     L    53_A     L    53_A      5   14  107      3    5    9   21   31   51   74   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     V    54_A     V    54_A      4    9  107      3    4    9   18   35   52   77   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     G    55_A     G    55_A      4    9  107      3    4   13   23   30   45   61   73   85   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     T    56_A     T    56_A      4    5  107      3    4    4    5    7    9   20   32   42   56   63   78   89   94  102  104  105  105  105  105 
LCS_GDT     D    57_A     D    57_A      4    5  107      3    4    4    5    7   10   20   44   52   85   95  100  101  102  103  104  105  105  105  105 
LCS_GDT     S    58_A     S    58_A      4    5  107      3    4    4    5    7   10   17   32   37   58   72   87  100  102  103  104  105  105  105  105 
LCS_GDT     S    59_A     S    59_A      4    5  107      3    4    4    5    7   18   29   46   72   87   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     T    60_A     T    60_A      4    5  107      4    9   17   30   45   63   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     I    61_A     I    61_A      3    8  107      3    7   17   24   29   48   63   76   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     T    62_A     T    62_A      5    8  107      4    7   17   24   35   48   63   78   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     L    63_A     L    63_A      5   18  107      4    5   17   24   48   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     Q    64_A     Q    64_A      5   18  107      4    8   18   22   24   51   71   82   89   92   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     A    65_A     A    65_A     12   19  107      4    5    5   12   22   25   39   52   65   86   92   96  101  102  103  104  105  105  105  105 
LCS_GDT     M    66_A     M    66_A     14   22  107      3   15   21   38   48   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     E    67_A     E    67_A     14   22  107      5   15   21   38   48   62   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     C    68_A     C    68_A     14   22  107      3   12   24   38   48   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     R    69_A     R    69_A     14   22  107      5   13   21   34   48   60   77   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     S    70_A     S    70_A     14   22  107      5   15   23   38   48   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     V    71_A     V    71_A     14   22  107      5   15   21   38   49   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     V    72_A     V    72_A     14   22  107      6   16   27   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     I    73_A     I    73_A     14   22  107      6   15   27   38   50   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     N    74_A     N    74_A     14   22  107      5   17   27   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     F    75_A     F    75_A     14   22  107      6   18   25   37   50   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     C    76_A     C    76_A     14   22  107      6   18   25   37   49   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     P    77_A     P    77_A     14   22  107      4   17   25   35   50   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     T    78_A     T    78_A     14   22  107      4   13   23   30   42   54   63   83   90   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     V    79_A     V    79_A     14   22  107      4   17   25   37   49   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     C    80_A     C    80_A     10   22  107      6   18   27   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     G    81_A     G    81_A     10   22  107      4   11   24   34   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     A    82_A     A    82_A     10   22  107      3    8   25   34   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     A    83_A     A    83_A     10   22  107      3    8   25   34   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     I    84_A     I    84_A      7   22  107      3   17   23   35   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     G    85_A     G    85_A      7   22  107      6   14   24   37   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     A    86_A     A    86_A      7   22  107      6   13   27   37   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     L    87_A     L    87_A      7   22  107      6   16   27   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     S    88_A     S    88_A      7   19  107      6   16   25   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     F    89_A     F    89_A      7   18  107      6   10   19   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     Y    90_A     Y    90_A      7   18  107      6   10   19   38   48   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     A    91_A     A    91_A      7   18  107      3    7   20   34   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     P    92_A     P    92_A      8   18  107      3    5   15   34   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     P    93_A     P    93_A      8   18  107      3    6   10   30   48   63   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     G    94_A     G    94_A      8   18  107      3    6    9   30   47   62   75   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     A    95_A     A    95_A      8   18  107      3    6    9   23   41   58   73   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     H    96_A     H    96_A      8   18  107      3    6   10   28   41   55   72   83   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     N    97_A     N    97_A      8   18  107      3    6   10   28   41   56   72   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     S    98_A     S    98_A      8   18  107      3   10   27   37   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     N    99_A     N    99_A      8   18  107      3   10   26   37   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     Q   100_A     Q   100_A      8   18  107      0    3   15   31   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     P   101_A     P   101_A      6   18  107      6   16   24   36   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     G   102_A     G   102_A     11   18  107      3   12   25   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     L   103_A     L   103_A     11   18  107      6   10   23   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     E   104_A     E   104_A     11   18  107      5   11   24   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     I   105_A     I   105_A     11   18  107      6   15   27   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     P   106_A     P   106_A     11   18  107      5   16   27   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     L   107_A     L   107_A     11   18  107      6   16   27   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     Y   108_A     Y   108_A     11   18  107      5   16   27   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     G   109_A     G   109_A     11   18  107      4   18   27   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     Y   110_A     Y   110_A     11   18  107      6   18   25   36   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     G   111_A     G   111_A     11   18  107      6   18   27   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_GDT     G   112_A     G   112_A     11   18  107      3   18   27   38   51   65   78   87   91   95   97  100  101  102  103  104  105  105  105  105 
LCS_AVERAGE  LCS_A:  41.09  (   9.34   18.40   95.54 )

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      6     18     27     38     51     65     78     87     91     95     97    100    101    102    103    104    105    105    105    105 
GDT PERCENT_AT   5.36  16.07  24.11  33.93  45.54  58.04  69.64  77.68  81.25  84.82  86.61  89.29  90.18  91.07  91.96  92.86  93.75  93.75  93.75  93.75
GDT RMS_LOCAL    0.21   0.71   1.15   1.41   1.85   2.09   2.37   2.56   2.68   2.82   2.91   3.10   3.16   3.23   3.33   3.45   3.58   3.58   3.58   3.58
GDT RMS_ALL_AT   6.65   7.98   4.75   5.06   4.26   4.46   4.32   4.31   4.29   4.28   4.28   4.24   4.23   4.24   4.22   4.22   4.20   4.20   4.20   4.20

# Checking swapping
#   possible swapping detected:  D    25_A      D    25_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  F    89_A      F    89_A
#   possible swapping detected:  Y    90_A      Y    90_A
#   possible swapping detected:  E   104_A      E   104_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     6_A      L     6_A    19.352     0    0.366   0.981    23.845    0.000    0.000
LGA    P     7_A      P     7_A    14.504     0    0.609   0.684    19.124    0.000    0.000
LGA    L     8_A      L     8_A    10.935     0    0.094   1.042    13.083    1.071    0.714
LGA    K     9_A      K     9_A     6.995     0    0.069   1.707     9.785   15.238   10.741
LGA    V    10_A      V    10_A     3.436     0    0.080   0.338     4.578   50.833   47.823
LGA    T    11_A      T    11_A     1.734     0    0.163   0.173     3.685   65.595   67.687
LGA    H    12_A      H    12_A     3.635     0    0.642   1.608    10.013   55.714   29.905
LGA    T    13_A      T    13_A     3.083     0    0.060   1.356     6.372   59.881   47.347
LGA    T    14_A      T    14_A     1.759     0    0.111   1.056     5.300   68.810   60.476
LGA    L    15_A      L    15_A     1.331     0    0.065   0.957     2.819   71.190   75.536
LGA    C    16_A      C    16_A     2.998     0    0.047   0.649     4.923   62.857   53.333
LGA    W    17_A      W    17_A     1.784     0    0.061   0.574     2.738   64.881   78.095
LGA    G    18_A      G    18_A     2.058     0    0.083   0.083     2.193   66.786   66.786
LGA    S    19_A      S    19_A     2.841     0    0.091   0.621     3.521   62.976   58.730
LGA    T    20_A      T    20_A     2.033     0    0.072   1.182     3.153   62.857   61.565
LGA    K    21_A      K    21_A     2.691     0    0.045   1.458     4.531   60.952   58.624
LGA    L    22_A      L    22_A     2.815     0    0.060   1.393     5.251   51.905   44.226
LGA    R    23_A      R    23_A     4.287     0    0.099   0.669     7.543   38.690   26.277
LGA    T    24_A      T    24_A     3.400     0    0.071   0.750     3.589   50.119   50.068
LGA    D    25_A      D    25_A     3.344     0    0.047   0.892     8.924   51.786   33.036
LGA    V    26_A      V    26_A     1.789     0    0.073   1.010     3.144   68.810   65.238
LGA    R    27_A      R    27_A     2.009     0    0.108   1.207     4.881   72.976   58.701
LGA    K    28_A      K    28_A     1.598     0    0.061   1.246     3.281   72.857   67.778
LGA    S    29_A      S    29_A     1.738     0    0.054   0.154     2.189   72.857   70.159
LGA    M    30_A      M    30_A     1.698     0    0.065   1.194     6.592   72.857   58.571
LGA    Q    31_A      Q    31_A     1.497     0    0.050   0.561     5.389   77.143   56.190
LGA    V    32_A      V    32_A     1.379     0    0.034   1.217     4.271   85.952   75.238
LGA    K    33_A      K    33_A     2.203     0    0.134   1.051     6.674   54.167   40.212
LGA    N    34_A      N    34_A     3.428     0    0.077   1.059     6.650   63.333   42.619
LGA    T    35_A      T    35_A     4.060     0    0.594   1.138     8.810   52.619   35.986
LGA    A    36_A      A    36_A     2.145     0    0.036   0.046     3.091   61.190   60.381
LGA    D    37_A      D    37_A     2.151     0    0.105   0.806     3.646   63.571   61.429
LGA    K    38_A      K    38_A     1.819     0    0.096   0.931     8.437   72.857   52.751
LGA    R    39_A      R    39_A     2.228     0    0.225   0.998     5.201   64.762   45.455
LGA    L    40_A      L    40_A     2.953     0    0.097   0.866     6.388   59.048   43.869
LGA    V    41_A      V    41_A     3.361     0    0.110   0.132     4.163   50.000   45.374
LGA    I    42_A      I    42_A     3.267     0    0.041   0.635     5.495   50.000   46.190
LGA    R    43_A      R    43_A     3.146     0    0.148   1.258     4.240   48.333   56.580
LGA    L    44_A      L    44_A     3.030     0    0.057   1.035     7.721   53.571   43.274
LGA    G    45_A      G    45_A     2.678     0    0.067   0.067     2.760   59.048   59.048
LGA    I    46_A      I    46_A     2.923     0    0.082   1.295     6.276   53.571   41.786
LGA    Q    47_A      Q    47_A     3.288     0    0.153   0.951     6.377   46.667   38.571
LGA    G    48_A      G    48_A     3.786     0    0.249   0.249     3.880   46.667   46.667
LGA    P    49_A      P    49_A     5.434     0    0.209   0.240     6.463   22.738   21.633
LGA    G    50_A      G    50_A     5.858     0    0.189   0.189     5.858   25.119   25.119
LGA    F    51_A      F    51_A     2.234     0    0.089   1.338     6.890   73.929   42.987
LGA    Q    52_A      Q    52_A     2.521     0    0.069   1.317    10.627   73.452   38.466
LGA    L    53_A      L    53_A     3.928     0    0.545   0.851     5.470   37.500   34.464
LGA    V    54_A      V    54_A     3.750     0    0.560   0.934     6.614   32.857   32.721
LGA    G    55_A      G    55_A     6.663     0    0.067   0.067     7.455   17.619   17.619
LGA    T    56_A      T    56_A    10.683     0    0.599   0.609    14.855    0.833    0.476
LGA    D    57_A      D    57_A     7.627     0    0.579   1.354     8.751   10.357   15.476
LGA    S    58_A      S    58_A     9.378     0    0.075   0.094    12.888    1.429    0.952
LGA    S    59_A      S    59_A     7.152     0    0.620   0.669     7.831   13.690   11.984
LGA    T    60_A      T    60_A     3.569     0    0.662   1.310     6.434   33.690   48.299
LGA    I    61_A      I    61_A     4.634     0    0.143   1.358     5.819   40.476   31.548
LGA    T    62_A      T    62_A     4.401     0    0.315   0.310     5.226   32.976   32.313
LGA    L    63_A      L    63_A     3.033     0    0.192   1.004     4.709   48.333   50.595
LGA    Q    64_A      Q    64_A     5.484     0    0.074   1.184     6.977   33.214   25.926
LGA    A    65_A      A    65_A     7.013     0    0.612   0.563     8.667   12.619   10.667
LGA    M    66_A      M    66_A     2.991     0    0.201   0.703     4.750   50.119   45.298
LGA    E    67_A      E    67_A     3.663     0    0.167   0.627     6.045   57.976   41.111
LGA    C    68_A      C    68_A     3.213     0    0.057   0.788     6.465   40.714   36.190
LGA    R    69_A      R    69_A     3.796     0    0.124   1.363     8.855   53.810   37.446
LGA    S    70_A      S    70_A     3.050     0    0.053   0.121     3.862   46.667   45.556
LGA    V    71_A      V    71_A     2.673     0    0.160   0.201     3.614   62.857   59.524
LGA    V    72_A      V    72_A     1.830     0    0.106   1.034     3.488   66.786   68.639
LGA    I    73_A      I    73_A     2.244     0    0.057   1.399     3.482   66.786   64.167
LGA    N    74_A      N    74_A     2.222     0    0.137   0.342     3.151   59.167   70.476
LGA    F    75_A      F    75_A     2.599     0    0.032   0.855     2.679   59.048   69.524
LGA    C    76_A      C    76_A     3.033     0    0.247   0.271     4.400   48.571   49.048
LGA    P    77_A      P    77_A     2.843     0    0.167   0.204     3.344   53.571   60.680
LGA    T    78_A      T    78_A     4.938     0    0.056   1.125     6.356   32.857   28.027
LGA    V    79_A      V    79_A     3.406     0    0.062   1.036     5.479   55.714   52.177
LGA    C    80_A      C    80_A     1.342     0    0.145   0.805     4.134   83.810   74.206
LGA    G    81_A      G    81_A     2.211     0    0.052   0.052     2.211   70.952   70.952
LGA    A    82_A      A    82_A     2.955     0    0.372   0.424     3.587   57.143   54.381
LGA    A    83_A      A    83_A     2.751     0    0.046   0.053     3.484   55.357   54.286
LGA    I    84_A      I    84_A     2.436     0    0.055   1.243     3.796   66.786   62.143
LGA    G    85_A      G    85_A     2.144     0    0.095   0.095     2.453   68.810   68.810
LGA    A    86_A      A    86_A     1.683     0    0.042   0.049     1.970   79.405   78.095
LGA    L    87_A      L    87_A     0.428     0    0.074   1.110     3.266   97.619   85.655
LGA    S    88_A      S    88_A     0.930     0    0.054   0.722     3.342   85.952   79.206
LGA    F    89_A      F    89_A     2.022     0    0.087   0.533     4.445   66.786   59.913
LGA    Y    90_A      Y    90_A     2.842     0    0.040   1.298     6.889   69.048   40.635
LGA    A    91_A      A    91_A     1.789     0    0.566   0.580     4.035   61.905   62.476
LGA    P    92_A      P    92_A     2.271     0    0.084   0.078     2.529   66.786   65.986
LGA    P    93_A      P    93_A     3.497     0    0.615   0.658     4.112   50.000   47.211
LGA    G    94_A      G    94_A     4.334     0    0.220   0.220     4.500   40.357   40.357
LGA    A    95_A      A    95_A     4.975     0    0.513   0.515     5.799   31.548   29.524
LGA    H    96_A      H    96_A     5.430     0    0.180   0.697     7.513   27.500   22.857
LGA    N    97_A      N    97_A     4.904     0    0.163   0.944     6.169   36.071   35.655
LGA    S    98_A      S    98_A     2.281     0    0.176   0.201     3.147   59.167   61.032
LGA    N    99_A      N    99_A     1.990     0    0.565   1.262     5.880   70.833   54.762
LGA    Q   100_A      Q   100_A     2.420     0    0.378   1.241     7.539   67.024   42.963
LGA    P   101_A      P   101_A     1.625     0    0.618   0.747     3.613   69.881   62.381
LGA    G   102_A      G   102_A     1.895     0    0.487   0.487     2.872   71.310   71.310
LGA    L   103_A      L   103_A     2.238     0    0.053   0.970     4.864   66.786   60.655
LGA    E   104_A      E   104_A     1.919     0    0.108   0.560     3.693   68.810   63.386
LGA    I   105_A      I   105_A     0.961     0    0.114   1.199     2.999   83.690   77.381
LGA    P   106_A      P   106_A     1.211     0    0.177   0.483     2.109   83.690   81.633
LGA    L   107_A      L   107_A     0.559     0    0.224   1.276     3.443   92.857   83.274
LGA    Y   108_A      Y   108_A     0.672     0    0.084   1.409    10.124   92.857   52.698
LGA    G   109_A      G   109_A     0.358     0    0.185   0.185     2.046   86.548   86.548
LGA    Y   110_A      Y   110_A     1.438     0    0.179   1.226     8.001   85.952   50.357
LGA    G   111_A      G   111_A     0.458     0    0.045   0.045     0.935   92.857   92.857
LGA    G   112_A      G   112_A     1.418     0    0.080   0.080     4.047   68.452   68.452

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      107     428    428  100.00     798    798  100.00               112
SUMMARY(RMSD_GDC):     4.179          4.063                  4.847           52.920   47.269

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  112    4.0     87    2.56    55.134    50.136     3.266

LGA_LOCAL      RMSD:   2.563  Number of atoms:   87  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.308  Number of assigned atoms:  107 
Std_ASGN_ATOMS RMSD:   4.179  Standard rmsd on all 107 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.101127 * X  +   0.702414 * Y  +   0.704548 * Z  + -65.403152
  Y_new =  -0.709971 * X  +  -0.445143 * Y  +   0.545700 * Z  + -61.803303
  Z_new =   0.696932 * X  +  -0.555394 * Y  +   0.453678 * Z  +  20.342632 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.429310 -0.771110 -0.885860   [DEG:  -81.8934  -44.1814  -50.7560 ]
ZXZ:  2.229819  1.099908  2.243652   [DEG:  127.7592   63.0201  128.5518 ]
 
# END of job
