
#######################################################
#                                                     #
#                        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  130 (  978),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  949),  selected  125 , 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:   122       8_A - 129_A       4.84     8.62
  LCS_AVERAGE:     95.62

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      12_A - 129_A       1.69     8.97
  LCS_AVERAGE:     89.52

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    52      78_A - 129_A       0.95     9.16
  LCS_AVERAGE:     33.51

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  125
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     5_A     L     5_A      7    9   19      4    5    9    9    9   10   10   12   15   16   18   19   20   20   21   23   25   26   26   27 
LCS_GDT     K     6_A     K     6_A      7    9   19      4    5    9    9    9   10   10   12   15   16   18   19   20   20   22   23   25   26   26   27 
LCS_GDT     C     7_A     C     7_A      7    9   19      4    6    9    9    9   10   10   12   15   16   18   19   20   21   22   23   25   28   28   33 
LCS_GDT     T     8_A     T     8_A      7    9  122      4    6    9    9    9   10   10   12   15   16   18   19   20   21   24   25   28   31   33   37 
LCS_GDT     F     9_A     F     9_A      7    9  122      4    6    9    9    9   10   10   12   15   16   18   19   21   23   24   29   40   43   52   57 
LCS_GDT     S    10_A     S    10_A      7    9  122      4    6    9    9    9   10   10   12   15   16   18   27   29   36   44   56   60   70   78   87 
LCS_GDT     A    11_A     A    11_A      7    9  122      4    6    9    9    9   10   10   12   15   22   29   49   56   68   82   89   97  106  114  119 
LCS_GDT     P    12_A     P    12_A      7  118  122      4    6    9   11   25   37   56   70   91  106  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     S    13_A     S    13_A     25  118  122      9   19   32   59   95  113  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     H    14_A     H    14_A     25  118  122      9   20   39   69  108  114  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     S    15_A     S    15_A     25  118  122      9   25   42   84  109  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     T    16_A     T    16_A     25  118  122      9   27   53   98  112  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     S    17_A     S    17_A     25  118  122     10   42   85  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     L    18_A     L    18_A     25  118  122      9   54   87  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     L    19_A     L    19_A     36  118  122     15   55   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     Q    20_A     Q    20_A     43  118  122     14   62   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     G    21_A     G    21_A     43  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     L    22_A     L    22_A     43  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     A    23_A     A    23_A     43  118  122     23   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     T    24_A     T    24_A     43  118  122     14   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     L    25_A     L    25_A     43  118  122     14   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     R    26_A     R    26_A     43  118  122     14   66   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     A    27_A     A    27_A     43  118  122     14   46   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     Q    28_A     Q    28_A     43  118  122     14   59   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     G    29_A     G    29_A     43  118  122     14   46   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     Q    30_A     Q    30_A     43  118  122     14   59   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     L    31_A     L    31_A     43  118  122      3   23   68  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     L    32_A     L    32_A     43  118  122     10   46   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     D    33_A     D    33_A     43  118  122     14   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     V    34_A     V    34_A     43  118  122     24   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     V    35_A     V    35_A     43  118  122     24   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     L    36_A     L    36_A     43  118  122     14   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     T    37_A     T    37_A     43  118  122     24   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     I    38_A     I    38_A     43  118  122      7   46   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     N    39_A     N    39_A     43  118  122      7   19   85  103  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     R    40_A     R    40_A     43  118  122      3    3   62  102  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     E    41_A     E    41_A     43  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     A    42_A     A    42_A     43  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     F    43_A     F    43_A     43  118  122     24   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     P    44_A     P    44_A     43  118  122     20   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     A    45_A     A    45_A     43  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     H    46_A     H    46_A     43  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     K    47_A     K    47_A     43  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     V    48_A     V    48_A     43  118  122     23   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     V    49_A     V    49_A     43  118  122     23   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     L    50_A     L    50_A     43  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     A    51_A     A    51_A     43  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     A    52_A     A    52_A     43  118  122     16   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     C    53_A     C    53_A     43  118  122     16   60   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     S    54_A     S    54_A     43  118  122     16   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     D    55_A     D    55_A     43  118  122     16   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     Y    56_A     Y    56_A     43  118  122     16   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     F    57_A     F    57_A     43  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     R    58_A     R    58_A     43  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     A    59_A     A    59_A     43  118  122     16   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     M    60_A     M    60_A     43  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     F    61_A     F    61_A     43  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     T    62_A     T    62_A     43  118  122     14   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     G    63_A     G    63_A     32  118  122      3   19   82  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     G    64_A     G    64_A     29  118  122     13   34   82  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     M    65_A     M    65_A     29  118  122     13   30   82  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     R    66_A     R    66_A     29  118  122     10   48   87  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     E    67_A     E    67_A     29  118  122     14   67   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     A    68_A     A    68_A     29  118  122     21   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     S    69_A     S    69_A     29  118  122      5   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     Q    70_A     Q    70_A     29  118  122      5   33   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     D    71_A     D    71_A     26  118  122     14   46   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     V    72_A     V    72_A     26  118  122     12   43   71  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     I    73_A     I    73_A     26  118  122      7   34   56  100  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     E    74_A     E    74_A     26  118  122     12   43   85  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     L    75_A     L    75_A     26  118  122     12   46   85  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     K    76_A     K    76_A     26  118  122      4   46   85  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     G    77_A     G    77_A     50  118  122      7   19   64  101  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     V    78_A     V    78_A     52  118  122     12   46   85  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     S    79_A     S    79_A     52  118  122     11   49   88  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     A    80_A     A    80_A     52  118  122     18   59   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     R    81_A     R    81_A     52  118  122     15   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     G    82_A     G    82_A     52  118  122     18   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     L    83_A     L    83_A     52  118  122     18   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     R    84_A     R    84_A     52  118  122     24   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     H    85_A     H    85_A     52  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     I    86_A     I    86_A     52  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     I    87_A     I    87_A     52  118  122     18   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     D    88_A     D    88_A     52  118  122     18   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     F    89_A     F    89_A     52  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     A    90_A     A    90_A     52  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     Y    91_A     Y    91_A     52  118  122     23   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     S    92_A     S    92_A     52  118  122      6   61   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     A    93_A     A    93_A     52  118  122     10   39   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     E    94_A     E    94_A     52  118  122      8   43   84  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     V    95_A     V    95_A     52  118  122     14   61   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     T    96_A     T    96_A     52  118  122     22   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     L    97_A     L    97_A     52  118  122     24   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     D    98_A     D    98_A     52  118  122     15   38   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     L    99_A     L    99_A     52  118  122      4   53   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     D   100_A     D   100_A     52  118  122     10   64   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     C   101_A     C   101_A     52  118  122     10   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     V   102_A     V   102_A     52  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     Q   103_A     Q   103_A     52  118  122     10   61   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     D   104_A     D   104_A     52  118  122     10   64   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     V   105_A     V   105_A     52  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     L   106_A     L   106_A     52  118  122     11   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     G   107_A     G   107_A     52  118  122     24   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     A   108_A     A   108_A     52  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     A   109_A     A   109_A     52  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     V   110_A     V   110_A     52  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     F   111_A     F   111_A     52  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     L   112_A     L   112_A     52  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     Q   113_A     Q   113_A     52  118  122     15   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     M   114_A     M   114_A     52  118  122     13   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     L   115_A     L   115_A     52  118  122     23   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     P   116_A     P   116_A     52  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     V   117_A     V   117_A     52  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     V   118_A     V   118_A     52  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     E   119_A     E   119_A     52  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     L   120_A     L   120_A     52  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     C   121_A     C   121_A     52  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     E   122_A     E   122_A     52  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     E   123_A     E   123_A     52  118  122     18   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     F   124_A     F   124_A     52  118  122     25   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     L   125_A     L   125_A     52  118  122     18   68   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     K   126_A     K   126_A     52  118  122     18   64   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     A   127_A     A   127_A     52  118  122     18   62   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     A   128_A     A   128_A     52  118  122     16   59   89  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_GDT     M   129_A     M   129_A     52  118  122     11   35   82  105  113  115  117  117  117  117  117  118  118  118  118  118  118  118  118  119 
LCS_AVERAGE  LCS_A:  72.88  (  33.51   89.52   95.62 )

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     25     68     89    105    113    115    117    117    117    117    117    118    118    118    118    118    118    118    118    119 
GDT PERCENT_AT  20.00  54.40  71.20  84.00  90.40  92.00  93.60  93.60  93.60  93.60  93.60  94.40  94.40  94.40  94.40  94.40  94.40  94.40  94.40  95.20
GDT RMS_LOCAL    0.33   0.66   0.86   1.10   1.24   1.32   1.44   1.44   1.44   1.44   1.44   1.69   1.69   1.69   1.69   1.69   1.69   1.69   1.69   2.18
GDT RMS_ALL_AT   9.12   9.20   9.20   9.10   9.13   9.08   9.03   9.03   9.03   9.03   9.03   8.97   8.97   8.97   8.97   8.97   8.97   8.97   8.97   8.91

# Checking swapping
#   possible swapping detected:  F     9_A      F     9_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  F    61_A      F    61_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  D    98_A      D    98_A
#   possible swapping detected:  F   111_A      F   111_A
#   possible swapping detected:  E   123_A      E   123_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     5_A      L     5_A    54.313     0    0.264   0.289    56.789    0.000    0.000
LGA    K     6_A      K     6_A    48.912     0    0.078   0.937    51.118    0.000    0.000
LGA    C     7_A      C     7_A    41.783     0    0.020   0.696    44.289    0.000    0.000
LGA    T     8_A      T     8_A    34.917     0    0.082   1.052    37.302    0.000    0.000
LGA    F     9_A      F     9_A    28.706     0    0.080   1.343    31.039    0.000    0.000
LGA    S    10_A      S    10_A    21.698     0    0.026   0.075    24.061    0.000    0.000
LGA    A    11_A      A    11_A    15.513     0    0.157   0.186    17.626    0.000    0.000
LGA    P    12_A      P    12_A     9.767     0    0.630   0.632    12.683    7.976    4.762
LGA    S    13_A      S    13_A     4.947     0    0.458   0.475     7.151   30.476   28.413
LGA    H    14_A      H    14_A     4.063     0    0.023   0.189     4.739   43.690   39.190
LGA    S    15_A      S    15_A     3.552     0    0.054   0.662     4.064   48.452   49.286
LGA    T    16_A      T    16_A     2.993     0    0.052   0.099     3.972   61.190   55.442
LGA    S    17_A      S    17_A     1.633     0    0.041   0.048     2.211   77.381   74.524
LGA    L    18_A      L    18_A     1.486     0    0.021   1.378     5.192   81.548   64.643
LGA    L    19_A      L    19_A     1.197     0    0.028   1.380     2.875   85.952   78.631
LGA    Q    20_A      Q    20_A     0.974     0    0.016   0.711     2.190   88.214   81.640
LGA    G    21_A      G    21_A     0.364     0    0.071   0.071     0.520   97.619   97.619
LGA    L    22_A      L    22_A     0.434     0    0.012   0.064     0.806   95.238   94.048
LGA    A    23_A      A    23_A     0.772     0    0.017   0.019     1.179   85.952   86.857
LGA    T    24_A      T    24_A     1.247     0    0.090   1.149     3.562   79.286   74.762
LGA    L    25_A      L    25_A     1.433     0    0.049   0.183     1.980   77.143   79.286
LGA    R    26_A      R    26_A     1.422     0    0.032   0.335     1.862   77.143   79.913
LGA    A    27_A      A    27_A     1.657     0    0.030   0.037     1.937   72.857   72.857
LGA    Q    28_A      Q    28_A     1.732     0    0.026   0.845     3.010   72.857   69.418
LGA    G    29_A      G    29_A     1.959     0    0.033   0.033     1.968   72.857   72.857
LGA    Q    30_A      Q    30_A     1.802     0    0.606   0.587     3.611   65.476   72.434
LGA    L    31_A      L    31_A     1.954     0    0.413   0.855     4.888   68.929   63.810
LGA    L    32_A      L    32_A     1.474     0    0.476   0.538     4.238   64.048   71.786
LGA    D    33_A      D    33_A     0.976     0    0.020   1.163     4.726   88.214   74.583
LGA    V    34_A      V    34_A     0.428     0    0.042   0.137     0.812   97.619   95.918
LGA    V    35_A      V    35_A     0.401     0    0.057   0.069     0.887   95.238   95.918
LGA    L    36_A      L    36_A     0.787     0    0.020   0.112     1.520   92.857   85.000
LGA    T    37_A      T    37_A     0.468     0    0.080   1.127     2.587   92.857   84.558
LGA    I    38_A      I    38_A     1.571     0    0.033   0.543     3.337   77.143   71.131
LGA    N    39_A      N    39_A     2.294     0    0.590   0.558     3.986   66.786   57.619
LGA    R    40_A      R    40_A     2.579     0    0.055   1.226     4.130   65.000   61.126
LGA    E    41_A      E    41_A     0.908     0    0.063   0.644     1.817   90.595   83.598
LGA    A    42_A      A    42_A     0.054     0    0.023   0.026     0.942   95.238   94.286
LGA    F    43_A      F    43_A     0.875     0    0.062   0.110     2.233   92.857   79.437
LGA    P    44_A      P    44_A     0.836     0    0.051   0.349     2.148   90.476   85.510
LGA    A    45_A      A    45_A     0.413     0    0.034   0.054     0.656  100.000   98.095
LGA    H    46_A      H    46_A     0.271     0    0.040   1.059     5.209  100.000   72.524
LGA    K    47_A      K    47_A     0.233     0    0.056   0.755     4.936  100.000   76.085
LGA    V    48_A      V    48_A     0.300     0    0.077   0.967     2.128   97.619   88.367
LGA    V    49_A      V    49_A     0.408     0    0.025   0.051     0.740   97.619   95.918
LGA    L    50_A      L    50_A     0.629     0    0.028   0.110     1.389   92.857   88.274
LGA    A    51_A      A    51_A     0.495     0    0.073   0.076     0.992   95.238   96.190
LGA    A    52_A      A    52_A     0.706     0    0.134   0.146     1.350   88.214   88.667
LGA    C    53_A      C    53_A     1.180     0    0.100   0.115     1.831   83.690   80.079
LGA    S    54_A      S    54_A     1.178     0    0.081   0.095     1.338   81.429   81.429
LGA    D    55_A      D    55_A     1.259     0    0.040   0.778     4.435   81.429   69.821
LGA    Y    56_A      Y    56_A     1.263     0    0.023   0.051     1.756   83.690   77.897
LGA    F    57_A      F    57_A     0.956     0    0.054   0.147     1.081   85.952   87.186
LGA    R    58_A      R    58_A     0.924     0    0.048   1.369     7.281   85.952   61.861
LGA    A    59_A      A    59_A     1.256     0    0.019   0.027     1.412   81.429   81.429
LGA    M    60_A      M    60_A     1.118     0    0.099   0.948     2.845   83.690   76.488
LGA    F    61_A      F    61_A     0.628     0    0.027   0.256     1.765   90.476   87.229
LGA    T    62_A      T    62_A     1.210     0    0.661   1.296     3.145   75.833   71.293
LGA    G    63_A      G    63_A     1.877     0    0.667   0.667     3.728   65.476   65.476
LGA    G    64_A      G    64_A     1.918     0    0.041   0.041     1.918   72.857   72.857
LGA    M    65_A      M    65_A     1.784     0    0.118   0.926     2.370   77.143   72.976
LGA    R    66_A      R    66_A     1.409     0    0.024   1.492    10.936   83.810   44.156
LGA    E    67_A      E    67_A     1.115     0    0.054   1.047     2.826   81.548   75.026
LGA    A    68_A      A    68_A     1.420     0    0.062   0.065     2.384   77.381   76.476
LGA    S    69_A      S    69_A     1.462     0    0.040   0.058     1.863   77.143   78.571
LGA    Q    70_A      Q    70_A     1.832     0    0.641   0.948     4.104   65.476   62.963
LGA    D    71_A      D    71_A     1.522     0    0.105   0.282     1.855   75.000   76.071
LGA    V    72_A      V    72_A     1.975     0    0.050   0.090     2.726   66.905   65.986
LGA    I    73_A      I    73_A     2.304     0    0.044   0.067     2.921   66.786   62.917
LGA    E    74_A      E    74_A     1.926     0    0.008   0.102     2.345   66.786   70.159
LGA    L    75_A      L    75_A     2.066     0    0.087   0.156     2.236   66.786   68.810
LGA    K    76_A      K    76_A     2.326     0    0.657   0.538     4.032   55.952   61.746
LGA    G    77_A      G    77_A     2.770     0    0.119   0.119     2.867   57.143   57.143
LGA    V    78_A      V    78_A     2.295     0    0.057   0.112     2.642   70.952   67.211
LGA    S    79_A      S    79_A     1.920     0    0.142   0.469     2.859   70.833   68.889
LGA    A    80_A      A    80_A     1.586     0    0.046   0.055     1.828   77.143   76.286
LGA    R    81_A      R    81_A     1.471     0    0.002   1.019     6.872   81.429   61.472
LGA    G    82_A      G    82_A     1.063     0    0.022   0.022     1.253   85.952   85.952
LGA    L    83_A      L    83_A     0.901     0    0.032   1.236     3.090   88.214   78.988
LGA    R    84_A      R    84_A     0.911     0    0.033   1.107     6.414   90.476   60.736
LGA    H    85_A      H    85_A     0.649     0    0.033   0.323     1.255   90.476   88.667
LGA    I    86_A      I    86_A     0.568     0    0.027   0.171     0.825   92.857   91.667
LGA    I    87_A      I    87_A     0.877     0    0.025   0.079     1.775   90.476   84.881
LGA    D    88_A      D    88_A     0.848     0    0.047   0.144     1.676   90.476   84.881
LGA    F    89_A      F    89_A     0.472     0    0.068   0.073     1.203   95.238   90.606
LGA    A    90_A      A    90_A     0.459     0    0.028   0.031     1.014   92.976   92.476
LGA    Y    91_A      Y    91_A     0.901     0    0.153   0.221     1.686   85.952   85.238
LGA    S    92_A      S    92_A     1.473     0    0.025   0.041     1.890   81.429   78.571
LGA    A    93_A      A    93_A     1.402     0    0.022   0.026     1.683   77.143   78.000
LGA    E    94_A      E    94_A     2.316     0    0.127   0.899     3.876   66.786   59.894
LGA    V    95_A      V    95_A     1.534     0    0.074   1.008     3.794   75.000   71.088
LGA    T    96_A      T    96_A     1.044     0    0.051   0.093     1.246   81.429   81.429
LGA    L    97_A      L    97_A     0.940     0    0.097   0.134     1.080   90.476   89.345
LGA    D    98_A      D    98_A     1.535     0    0.194   0.923     3.684   79.286   69.345
LGA    L    99_A      L    99_A     1.703     0    0.111   1.074     2.204   72.976   72.976
LGA    D   100_A      D   100_A     1.176     0    0.106   0.902     3.962   85.952   71.131
LGA    C   101_A      C   101_A     0.864     0    0.039   0.094     0.937   90.476   90.476
LGA    V   102_A      V   102_A     0.871     0    0.035   1.006     3.262   85.952   78.435
LGA    Q   103_A      Q   103_A     1.329     0    0.048   0.840     1.994   81.429   78.624
LGA    D   104_A      D   104_A     1.025     0    0.011   0.887     3.143   85.952   74.643
LGA    V   105_A      V   105_A     0.575     0    0.021   0.056     0.735   90.476   90.476
LGA    L   106_A      L   106_A     0.848     0    0.045   0.970     2.642   90.476   84.048
LGA    G   107_A      G   107_A     0.585     0    0.057   0.057     0.732   90.476   90.476
LGA    A   108_A      A   108_A     0.365     0    0.052   0.054     0.467  100.000  100.000
LGA    A   109_A      A   109_A     0.630     0    0.017   0.022     0.716   90.476   90.476
LGA    V   110_A      V   110_A     0.722     0    0.014   0.035     0.810   90.476   90.476
LGA    F   111_A      F   111_A     0.709     0    0.027   0.356     1.707   90.476   83.203
LGA    L   112_A      L   112_A     0.487     0    0.047   0.062     1.263   92.857   90.536
LGA    Q   113_A      Q   113_A     0.748     0    0.051   0.821     3.341   88.214   78.413
LGA    M   114_A      M   114_A     0.927     0    0.064   1.129     2.907   90.476   82.143
LGA    L   115_A      L   115_A     0.648     0    0.046   1.434     4.062   95.238   76.131
LGA    P   116_A      P   116_A     0.630     0    0.012   0.026     0.982   90.476   90.476
LGA    V   117_A      V   117_A     0.638     0    0.017   0.061     0.883   90.476   90.476
LGA    V   118_A      V   118_A     0.479     0    0.034   0.048     0.500  100.000  100.000
LGA    E   119_A      E   119_A     0.553     0    0.025   0.436     1.843   90.476   87.513
LGA    L   120_A      L   120_A     0.526     0    0.021   0.100     1.057   95.238   91.726
LGA    C   121_A      C   121_A     0.472     0    0.015   0.060     0.647   95.238   93.651
LGA    E   122_A      E   122_A     0.798     0    0.023   0.237     0.911   90.476   90.476
LGA    E   123_A      E   123_A     0.812     0    0.011   0.977     5.290   90.476   66.349
LGA    F   124_A      F   124_A     0.766     0    0.043   0.393     1.409   90.476   88.831
LGA    L   125_A      L   125_A     0.914     0    0.017   0.123     1.026   88.214   88.214
LGA    K   126_A      K   126_A     1.133     0    0.018   1.059     5.473   83.690   64.339
LGA    A   127_A      A   127_A     1.091     0    0.016   0.015     1.217   81.429   81.429
LGA    A   128_A      A   128_A     1.389     0    0.049   0.053     1.638   77.143   78.000
LGA    M   129_A      M   129_A     1.942     0    0.071   1.263     6.867   68.810   57.202

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     949    949  100.00               125
SUMMARY(RMSD_GDC):     8.417          8.312                  8.664           77.284   72.864

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    117    1.44    81.600    86.958     7.574

LGA_LOCAL      RMSD:   1.445  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   9.025  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   8.417  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.359772 * X  +   0.536476 * Y  +  -0.763386 * Z  + -24.501951
  Y_new =  -0.290328 * X  +  -0.841921 * Y  +  -0.454840 * Z  + -12.964415
  Z_new =  -0.886721 * X  +   0.057993 * Y  +   0.458653 * Z  + -28.780106 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.462612  1.090204  0.125775   [DEG: -141.0973   62.4641    7.2064 ]
ZXZ: -1.033457  1.094318 -1.505487   [DEG:  -59.2127   62.6998  -86.2581 ]
 
# END of job
