
#######################################################
#                                                     #
#                        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  117 (  950),  selected  116 , name one
# Molecule2: number of CA atoms  116 (  942),  selected  116 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    61      57_B - 117_B       4.77    16.99
  LCS_AVERAGE:     34.68

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      70_B - 100_B       1.90    17.11
  LCS_AVERAGE:     14.07

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16      82_B - 97_B        0.92    17.54
  LCS_AVERAGE:      6.96

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  116
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     T     2_C     T     2_B      4    7   12      3    3    5    5    6    7    8    8    8   10   10   10   11   12   16   16   20   23   25   27 
LCS_GDT     K     3_C     K     3_B      4    9   13      3    4    6    6    7    8    9    9   10   10   10   10   11   12   15   15   20   23   25   27 
LCS_GDT     S     4_C     S     4_B      5    9   14      3    4    6    6    8    8    9    9   10   10   10   10   12   12   15   15   20   23   25   27 
LCS_GDT     K     5_C     K     5_B      5    9   17      3    4    6    7    8    8    9    9   10   11   11   13   16   21   22   27   29   31   32   33 
LCS_GDT     M     6_C     M     6_B      5    9   18      3    4    6    7    8    8    9    9   11   12   15   17   20   24   26   27   29   31   32   33 
LCS_GDT     L     7_C     L     7_B      5   10   18      3    4    6    7    9   10   12   13   15   17   19   21   22   24   26   27   29   31   32   33 
LCS_GDT     S     8_C     S     8_B      5   10   18      3    4    6    8   11   12   14   15   16   17   18   20   22   24   26   27   29   31   32   33 
LCS_GDT     N     9_C     N     9_B      5   10   18      3    4    6    7    9   10   12   13   16   17   18   20   22   24   26   27   29   31   32   33 
LCS_GDT     I    10_C     I    10_B      5   10   18      3    4    6    8   11   12   14   15   16   17   19   21   22   24   26   27   29   31   32   33 
LCS_GDT     V    11_C     V    11_B      5   10   18      3    4    6    8   11   12   14   15   16   17   19   21   22   24   26   27   29   31   32   33 
LCS_GDT     I    12_C     I    12_B      5   10   18      3    4    6    8   11   12   14   15   16   17   19   21   22   24   26   27   29   31   32   33 
LCS_GDT     Q    13_C     Q    13_B      4   10   18      3    4    5    8   11   12   14   15   16   17   19   21   22   24   26   27   29   31   32   33 
LCS_GDT     E    14_C     E    14_B      4   10   18      3    4    5    7   11   12   14   15   16   17   19   21   22   24   26   27   29   31   32   33 
LCS_GDT     V    15_C     V    15_B      4   10   18      3    4    5    7   11   12   14   15   16   17   19   21   22   24   26   27   29   31   32   33 
LCS_GDT     K    16_C     K    16_B      4   10   18      3    4    5    8   11   12   14   15   16   17   24   28   34   44   56   60   68   72   73   76 
LCS_GDT     F    17_C     F    17_B      4   10   18      3    4    5    7   10   12   14   15   16   21   28   51   61   64   65   68   69   72   73   76 
LCS_GDT     A    18_C     A    18_B      4   10   18      3    5    8   23   26   30   39   46   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     I    19_C     I    19_B      3   10   18      3    3   10   16   22   29   35   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     E    20_C     E    20_B      3   10   18      3    5    8    8   10   10   13   15   22   27   34   41   43   55   60   62   66   71   73   74 
LCS_GDT     D    21_C     D    21_B      3   10   18      3    3    6    7    9   10   11   13   15   16   19   21   22   28   37   46   50   58   65   70 
LCS_GDT     Y    22_C     Y    22_B      3   10   18      3    3    5    7    9   10   11   12   14   16   19   21   24   27   28   34   37   44   59   67 
LCS_GDT     C    23_C     C    23_B      3   10   18      3    3    4    8    9   10   11   13   15   17   18   21   24   27   28   40   48   54   59   67 
LCS_GDT     A    24_C     A    24_B      5   10   18      3    4    6    8    9   10   11   13   15   17   18   21   24   27   28   34   45   51   59   67 
LCS_GDT     I    25_C     I    25_B      5   10   15      4    4    5    6    9   10   11   13   15   17   18   21   24   27   28   42   46   51   60   67 
LCS_GDT     L    26_C     L    26_B      5   10   15      4    4    6    8    9   10   11   13   15   17   23   29   33   44   46   59   62   67   70   73 
LCS_GDT     S    27_C     S    27_B      5   10   18      4    4    6    8    9   10   11   14   18   20   23   29   36   44   55   59   62   67   70   73 
LCS_GDT     F    28_C     F    28_B      5   10   18      4    4    5    8    9   10   10   11   15   24   27   31   36   49   55   60   63   68   70   73 
LCS_GDT     A    29_C     A    29_B      5   10   18      3    4    6    8    9   10   10   11   13   14   18   22   28   30   35   43   48   56   63   71 
LCS_GDT     S    30_C     S    30_B      5   10   18      3    4    5    8    9   10   10   11   13   13   16   18   21   29   34   43   48   52   61   65 
LCS_GDT     D    31_C     D    31_B      3   10   18      3    3    6    8    9   10   10   11   13   14   15   17   19   21   26   27   29   35   44   51 
LCS_GDT     S    32_C     S    32_B      3   10   18      3    3    5    6    9   10   12   14   15   15   16   19   22   23   26   28   30   39   44   57 
LCS_GDT     Y    33_C     Y    33_B      3    4   18      3    3    3    4    6    9   11   14   15   15   18   20   22   25   28   30   48   51   56   57 
LCS_GDT     E    34_C     E    34_B      4    7   18      3    4    4    5    8   11   12   14   15   18   18   20   22   25   32   43   48   52   56   61 
LCS_GDT     V    35_C     V    35_B      4   10   18      3    4    4    7   10   11   12   14   15   18   18   25   31   36   41   51   59   65   70   73 
LCS_GDT     P    36_C     P    36_B      4   10   18      3    4    4    7   10   12   17   20   25   31   36   44   51   60   62   64   65   68   70   73 
LCS_GDT     E    37_C     E    37_B      4   10   18      3    4    4    7   10   14   25   34   45   48   55   59   60   62   64   66   68   70   73   76 
LCS_GDT     Q    38_C     Q    38_B      4   10   18      3    4   15   21   27   37   42   47   52   56   58   60   63   64   65   68   69   71   73   76 
LCS_GDT     Y    39_C     Y    39_B      6   10   18      3    5    7   16   26   36   42   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     F    40_C     F    40_B      6   10   18      3    5    6    7   17   20   35   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     I    41_C     I    41_B      6   10   18      4    5    7   16   22   29   40   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     I    42_C     I    42_B      6   10   18      4    5    7   16   22   29   40   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     T    43_C     T    43_B      6   10   18      4    5    7   10   22   28   35   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     R    44_C     R    44_B      6   10   18      4    5    6   10   22   28   35   43   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     S    45_C     S    45_B      5    9   18      4    4    6    8   11   24   34   47   52   56   58   59   63   64   65   67   69   72   73   76 
LCS_GDT     T    46_C     T    46_B      5    9   18      4    4    6   10   24   27   40   47   52   56   58   60   63   64   65   66   69   72   73   76 
LCS_GDT     T    47_C     T    47_B      4    7   18      3    3    4    5    9   16   26   34   40   51   55   59   60   62   65   66   68   69   73   76 
LCS_GDT     E    48_C     E    48_B      4    7   18      3    4    4    5    7    9   11   19   20   33   37   49   59   60   62   65   66   68   70   73 
LCS_GDT     R    49_C     R    49_B      4    7   18      3    4    4    5    7    9   11   12   15   18   18   20   56   60   62   64   64   68   70   73 
LCS_GDT     S    50_C     S    50_B      4    7   17      3    4    4    5    7    9   11   12   15   18   31   36   56   60   62   64   65   68   70   73 
LCS_GDT     G    51_C     G    51_B      4    7   17      3    4    4    5    6   10   11   16   18   22   26   36   42   49   57   61   65   68   70   73 
LCS_GDT     G    52_C     G    52_B      5    9   17      4    5    8    8   10   10   11   13   15   16   20   29   32   36   43   56   62   66   70   73 
LCS_GDT     I    53_C     I    53_B      5    9   13      4    5    8    8   10   10   11   13   15   15   18   20   24   28   36   43   48   57   66   71 
LCS_GDT     P    54_C     P    54_B      5    9   13      4    5    8    8   10   10   11   14   15   17   19   21   24   29   40   56   62   66   70   73 
LCS_GDT     E    55_C     E    55_B      5    9   13      4    5    8    8   10   10   11   14   15   17   19   21   24   28   32   56   62   66   70   73 
LCS_GDT     G    56_C     G    56_B      5    9   14      4    5    8    8   10   11   14   15   16   17   19   21   26   47   52   56   62   66   70   73 
LCS_GDT     D    57_C     D    57_B      5    9   61      4    4    5    8   11   12   14   15   16   20   32   37   42   45   56   61   66   68   70   76 
LCS_GDT     I    58_C     I    58_B      4    9   61      4    4    4    7    9   10   10   12   16   30   32   43   52   62   65   66   69   72   73   76 
LCS_GDT     Y    59_C     Y    59_B      4    9   61      4    4    5    7    9   10   13   22   27   30   44   60   63   64   65   68   69   72   73   76 
LCS_GDT     L    60_C     L    60_B      5    9   61      4    4    5    7    9    9   10   11   15   20   31   44   55   61   65   68   69   72   73   76 
LCS_GDT     E    61_C     E    61_B      5    9   61      3    4    5    5   27   27   28   39   44   47   49   53   57   63   65   68   69   72   73   76 
LCS_GDT     S    62_C     S    62_B      5    6   61      3    4    8   12   17   24   26   31   33   44   47   50   55   58   65   68   69   72   73   76 
LCS_GDT     N    63_C     N    63_B      5    6   61      3    4    5    5   11   18   23   31   33   44   47   50   54   58   64   68   69   72   73   76 
LCS_GDT     L    64_C     L    64_B      5    6   61      3    4    5    5    6    7    8   14   17   21   30   40   49   56   60   68   69   72   73   76 
LCS_GDT     F    65_C     F    65_B      4    6   61      3    3    4    5    6    7    8   16   18   26   36   49   55   63   65   68   69   72   73   76 
LCS_GDT     L    66_C     L    66_B      4    6   61      1    4    9   11   15   23   28   30   37   47   54   59   63   64   65   68   69   72   73   76 
LCS_GDT     D    67_C     D    67_B      4    6   61      3    3    6    6    9   13   19   24   31   39   43   51   59   63   65   68   69   72   73   76 
LCS_GDT     F    68_C     F    68_B      4    6   61      3    3    6    6    6   12   25   28   37   42   55   60   63   64   65   68   69   72   73   76 
LCS_GDT     N    69_C     N    69_B      4   29   61      3    3    6    6    6   14   20   28   38   47   57   60   63   64   65   68   69   72   73   76 
LCS_GDT     P    70_C     P    70_B      4   31   61      0    5   10   13   27   30   40   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     Y    71_C     Y    71_B      4   31   61      3    7   14   26   31   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     G    72_C     G    72_B      9   31   61      6   14   22   26   27   38   43   46   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     L    73_C     L    73_B      9   31   61     10   15   22   26   31   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     S    74_C     S    74_B     15   31   61      8   16   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     G    75_C     G    75_B     15   31   61      6   16   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     Y    76_C     Y    76_B     15   31   61     10   16   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     L    77_C     L    77_B     15   31   61     10   16   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     L    78_C     L    78_B     15   31   61      9   16   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     S    79_C     S    79_B     15   31   61      8   14   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     E    80_C     E    80_B     15   31   61      3    7   18   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     P    81_C     P    81_B     15   31   61      7   16   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     N    82_C     N    82_B     16   31   61      3   13   22   26   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     C    83_C     C    83_B     16   31   61     10   16   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     V    84_C     V    84_B     16   31   61     10   16   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     D    85_C     D    85_B     16   31   61      9   16   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     L    86_C     L    86_B     16   31   61      7   16   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     L    87_C     L    87_B     16   31   61      6   16   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     I    88_C     I    88_B     16   31   61     10   15   22   27   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     E    89_C     E    89_B     16   31   61      3   11   22   26   31   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     P    90_C     P    90_B     16   31   61      3   11   22   26   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     N    91_C     N    91_B     16   31   61      3   10   22   26   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     N    92_C     N    92_B     16   31   61      4   14   22   26   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     Y    93_C     Y    93_B     16   31   61      3   16   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     V    94_C     V    94_B     16   31   61     10   16   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     R    95_C     R    95_B     16   31   61     10   16   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     L    96_C     L    96_B     16   31   61     10   16   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     R    97_C     R    97_B     16   31   61     10   16   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     L    98_C     L    98_B     15   31   61      4    5   19   25   28   37   42   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     I    99_C     I    99_B      4   31   61      4    4    4   10   31   39   43   46   51   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     E   100_C     E   100_B      4   31   61      4    4    4    7   14   35   43   46   48   52   54   60   63   64   65   68   69   72   73   76 
LCS_GDT     K   101_C     K   101_B      4   18   61      4    4    4    5    6   22   26   44   46   53   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     I   102_C     I   102_B      3   18   61      3    3   14   22   27   37   42   46   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     D   103_C     D   103_B     14   18   61      5    8   12   29   32   37   43   46   51   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     I   104_C     I   104_B     14   18   61      7   12   24   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     L   105_C     L   105_B     14   18   61      7   12   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     E   106_C     E   106_B     14   18   61      7   12   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     V   107_C     V   107_B     14   18   61      7   12   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     E   108_C     E   108_B     14   18   61      7   12   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     N   109_C     N   109_B     14   18   61      7   12   22   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     H   110_C     H   110_B     14   18   61      7   12   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     L   111_C     L   111_B     14   18   61      7   12   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     K   112_C     K   112_B     14   18   61      7   12   19   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     F   113_C     F   113_B     14   18   61      7   12   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     L   114_C     L   114_B     14   18   61      7   12   25   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     F   115_C     F   115_B     14   18   61      7   12   19   30   32   39   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     D   116_C     D   116_B     14   18   61      6   12   18   26   32   37   43   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_GDT     N   117_C     N   117_B      3   16   61      3    5   10   13   20   31   40   47   52   56   58   60   63   64   65   68   69   72   73   76 
LCS_AVERAGE  LCS_A:  18.57  (   6.96   14.07   34.68 )

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     10     16     25     30     32     39     43     47     52     56     58     60     63     64     65     68     69     72     73     76 
GDT PERCENT_AT   8.62  13.79  21.55  25.86  27.59  33.62  37.07  40.52  44.83  48.28  50.00  51.72  54.31  55.17  56.03  58.62  59.48  62.07  62.93  65.52
GDT RMS_LOCAL    0.34   0.63   1.12   1.28   1.38   1.94   2.13   2.59   2.93   3.11   3.22   3.48   3.75   3.86   4.20   4.45   4.51   4.89   4.91   5.35
GDT RMS_ALL_AT  17.16  17.31  17.53  17.53  17.58  17.21  17.23  16.95  16.84  16.83  16.83  16.80  16.77  16.75  16.85  16.87  16.84  16.79  16.77  16.62

# Checking swapping
#   possible swapping detected:  D    21_C      D    21_B
#   possible swapping detected:  Y    22_C      Y    22_B
#   possible swapping detected:  F    28_C      F    28_B
#   possible swapping detected:  D    31_C      D    31_B
#   possible swapping detected:  E    34_C      E    34_B
#   possible swapping detected:  E    37_C      E    37_B
#   possible swapping detected:  D    57_C      D    57_B
#   possible swapping detected:  E    61_C      E    61_B
#   possible swapping detected:  F    65_C      F    65_B
#   possible swapping detected:  E    89_C      E    89_B
#   possible swapping detected:  D   103_C      D   103_B
#   possible swapping detected:  F   115_C      F   115_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     2_C      T     2_B    48.490     0    0.103   1.072    49.905    0.000    0.000
LGA    K     3_C      K     3_B    45.424     0    0.050   0.798    46.552    0.000    0.000
LGA    S     4_C      S     4_B    44.761     0    0.107   0.738    45.855    0.000    0.000
LGA    K     5_C      K     5_B    45.314     0    0.155   0.678    51.262    0.000    0.000
LGA    M     6_C      M     6_B    42.918     0    0.086   1.012    45.489    0.000    0.000
LGA    L     7_C      L     7_B    44.261     0    0.629   0.566    46.293    0.000    0.000
LGA    S     8_C      S     8_B    43.672     0    0.024   0.067    44.309    0.000    0.000
LGA    N     9_C      N     9_B    41.460     0    0.188   0.252    43.317    0.000    0.000
LGA    I    10_C      I    10_B    40.574     0    0.078   0.760    43.818    0.000    0.000
LGA    V    11_C      V    11_B    37.827     0    0.050   0.100    40.317    0.000    0.000
LGA    I    12_C      I    12_B    33.161     0    0.206   0.751    34.521    0.000    0.000
LGA    Q    13_C      Q    13_B    28.419     0    0.674   1.227    34.081    0.000    0.000
LGA    E    14_C      E    14_B    21.852     0    0.104   1.031    24.409    0.000    0.000
LGA    V    15_C      V    15_B    18.719     0    0.149   0.169    22.565    0.000    0.000
LGA    K    16_C      K    16_B    12.372     0    0.040   0.727    14.964    0.000    0.000
LGA    F    17_C      F    17_B     9.381     0    0.175   1.400    10.184    8.333    3.203
LGA    A    18_C      A    18_B     6.238     0    0.114   0.171     8.061   16.429   14.095
LGA    I    19_C      I    19_B     5.823     0    0.169   1.330     9.159   13.214   13.869
LGA    E    20_C      E    20_B    10.407     0    0.117   0.880    11.327    1.190    0.529
LGA    D    21_C      D    21_B    15.076     0    0.375   1.157    17.628    0.000    0.000
LGA    Y    22_C      Y    22_B    18.544     0    0.524   1.431    29.162    0.000    0.000
LGA    C    23_C      C    23_B    17.689     0    0.113   0.745    18.076    0.000    0.000
LGA    A    24_C      A    24_B    18.074     0    0.122   0.153    18.074    0.000    0.000
LGA    I    25_C      I    25_B    17.301     0    0.081   0.734    21.418    0.000    0.000
LGA    L    26_C      L    26_B    13.363     0    0.101   0.106    14.637    0.000    0.000
LGA    S    27_C      S    27_B    13.904     0    0.077   0.587    17.093    0.000    0.000
LGA    F    28_C      F    28_B    12.735     0    0.225   1.209    14.116    0.000    0.000
LGA    A    29_C      A    29_B    17.706     0    0.060   0.084    20.031    0.000    0.000
LGA    S    30_C      S    30_B    19.821     0    0.619   0.781    23.287    0.000    0.000
LGA    D    31_C      D    31_B    25.905     0    0.576   1.108    27.460    0.000    0.000
LGA    S    32_C      S    32_B    26.674     0    0.269   0.701    29.159    0.000    0.000
LGA    Y    33_C      Y    33_B    27.953     0    0.640   1.585    33.162    0.000    0.000
LGA    E    34_C      E    34_B    25.941     0    0.669   0.570    33.897    0.000    0.000
LGA    V    35_C      V    35_B    18.954     0    0.348   0.346    21.489    0.000    0.000
LGA    P    36_C      P    36_B    14.245     0    0.085   0.091    16.747    0.000    0.000
LGA    E    37_C      E    37_B     8.692     0    0.642   1.373    10.574   11.548   11.799
LGA    Q    38_C      Q    38_B     3.202     0    0.040   0.296     7.985   45.833   33.598
LGA    Y    39_C      Y    39_B     3.589     0    0.093   1.020    10.158   46.786   24.841
LGA    F    40_C      F    40_B     4.392     0    0.233   0.896    10.152   38.690   20.996
LGA    I    41_C      I    41_B     4.531     0    0.137   1.097     6.681   34.286   35.298
LGA    I    42_C      I    42_B     4.713     0    0.108   0.701     5.608   28.810   29.583
LGA    T    43_C      T    43_B     5.920     0    0.047   1.261     7.632   22.619   21.701
LGA    R    44_C      R    44_B     6.084     0    0.042   1.462    11.654   18.214    9.567
LGA    S    45_C      S    45_B     6.187     0    0.114   0.156     7.734   21.548   17.778
LGA    T    46_C      T    46_B     6.093     0    0.232   1.075     8.352   11.548   21.973
LGA    T    47_C      T    47_B    10.944     0    0.739   0.931    14.783    0.357    0.204
LGA    E    48_C      E    48_B    12.717     0    0.399   1.247    15.366    0.000    0.000
LGA    R    49_C      R    49_B    11.194     0    0.091   0.855    14.644    0.000    0.000
LGA    S    50_C      S    50_B    13.175     0    0.660   0.841    15.756    0.000    0.000
LGA    G    51_C      G    51_B    15.305     0    0.281   0.281    18.343    0.000    0.000
LGA    G    52_C      G    52_B    21.063     0    0.473   0.473    21.473    0.000    0.000
LGA    I    53_C      I    53_B    23.069     0    0.074   0.515    28.755    0.000    0.000
LGA    P    54_C      P    54_B    19.472     0    0.093   0.242    22.938    0.000    0.000
LGA    E    55_C      E    55_B    19.673     0    0.198   0.678    21.112    0.000    0.000
LGA    G    56_C      G    56_B    17.958     0    0.124   0.124    18.910    0.000    0.000
LGA    D    57_C      D    57_B    15.730     0    0.051   1.082    20.491    0.000    0.000
LGA    I    58_C      I    58_B    11.262     0    0.097   1.149    13.989    0.000    0.000
LGA    Y    59_C      Y    59_B     9.474     0    0.040   1.324    14.407    1.786    0.635
LGA    L    60_C      L    60_B    10.553     0    0.556   0.965    16.820    0.000    0.000
LGA    E    61_C      E    61_B     9.196     0    0.055   0.889     9.806    0.714    9.894
LGA    S    62_C      S    62_B    10.642     0    0.117   0.680    11.832    0.000    0.000
LGA    N    63_C      N    63_B    10.600     0    0.637   1.216    12.839    0.000    0.714
LGA    L    64_C      L    64_B    10.793     0    0.330   0.382    13.753    0.833    0.417
LGA    F    65_C      F    65_B     9.791     0    0.371   1.110    14.175    0.238    0.087
LGA    L    66_C      L    66_B     9.337     0    0.151   1.109     9.426    3.690    3.750
LGA    D    67_C      D    67_B    12.220     0    0.478   1.262    17.449    0.000    0.000
LGA    F    68_C      F    68_B     9.269     0    0.044   1.330    10.102    1.429   10.823
LGA    N    69_C      N    69_B     8.528     0    0.100   1.221    13.322   14.643    7.321
LGA    P    70_C      P    70_B     3.881     0    0.641   0.538     7.758   42.976   29.048
LGA    Y    71_C      Y    71_B     2.565     0    0.558   1.332     7.363   63.333   47.778
LGA    G    72_C      G    72_B     4.435     0    0.617   0.617     4.435   41.905   41.905
LGA    L    73_C      L    73_B     3.443     0    0.049   1.212     5.946   45.119   38.571
LGA    S    74_C      S    74_B     2.138     0    0.215   0.624     2.478   64.762   64.762
LGA    G    75_C      G    75_B     2.507     0    0.125   0.125     2.507   62.857   62.857
LGA    Y    76_C      Y    76_B     1.695     0    0.089   1.127     7.011   72.857   56.389
LGA    L    77_C      L    77_B     1.300     0    0.037   0.176     1.366   81.429   81.429
LGA    L    78_C      L    78_B     1.232     0    0.076   0.922     3.761   79.286   73.512
LGA    S    79_C      S    79_B     2.023     0    0.042   0.624     4.509   66.786   59.286
LGA    E    80_C      E    80_B     2.357     0    0.601   0.503     5.656   50.238   59.471
LGA    P    81_C      P    81_B     1.332     0    0.302   0.547     1.934   81.429   78.980
LGA    N    82_C      N    82_B     2.828     0    0.333   1.335     5.600   57.262   50.119
LGA    C    83_C      C    83_B     1.237     0    0.030   0.079     1.749   79.286   83.016
LGA    V    84_C      V    84_B     0.514     0    0.074   0.097     0.920   95.238   95.918
LGA    D    85_C      D    85_B     0.694     0    0.037   0.075     1.210   88.214   88.214
LGA    L    86_C      L    86_B     1.518     0    0.088   1.370     5.632   79.286   64.821
LGA    L    87_C      L    87_B     0.900     0    0.130   0.961     2.691   79.405   74.226
LGA    I    88_C      I    88_B     2.604     0    0.169   0.247     3.669   57.500   56.548
LGA    E    89_C      E    89_B     3.633     0    0.613   1.050     7.648   42.024   32.857
LGA    P    90_C      P    90_B     2.777     0    0.578   0.766     5.755   57.262   44.830
LGA    N    91_C      N    91_B     2.726     0    0.061   0.790     5.390   57.143   49.821
LGA    N    92_C      N    92_B     2.782     0    0.092   1.128     6.158   62.976   54.405
LGA    Y    93_C      Y    93_B     0.776     0    0.136   1.329     4.540   79.405   69.444
LGA    V    94_C      V    94_B     1.602     0    0.043   0.883     3.939   81.548   70.204
LGA    R    95_C      R    95_B     1.491     0    0.068   0.753     3.701   75.000   61.905
LGA    L    96_C      L    96_B     1.042     0    0.158   0.827     3.933   85.952   78.988
LGA    R    97_C      R    97_B     1.488     0    0.232   1.137     4.832   77.143   65.065
LGA    L    98_C      L    98_B     2.675     0    0.389   1.073     9.188   57.976   33.095
LGA    I    99_C      I    99_B     4.172     0    0.096   0.362     9.357   54.524   32.917
LGA    E   100_C      E   100_B     5.050     0    0.675   1.059    12.954   26.310   12.804
LGA    K   101_C      K   101_B     5.638     0    0.070   1.045    13.945   25.476   13.280
LGA    I   102_C      I   102_B     4.514     0    0.591   1.410    10.414   34.524   24.464
LGA    D   103_C      D   103_B     3.985     0    0.597   1.325     8.443   52.024   33.214
LGA    I   104_C      I   104_B     2.484     0    0.111   0.320     3.003   63.095   67.024
LGA    L   105_C      L   105_B     1.711     0    0.073   0.073     2.028   70.833   71.845
LGA    E   106_C      E   106_B     2.005     0    0.054   0.554     4.037   66.786   59.259
LGA    V   107_C      V   107_B     2.452     0    0.029   0.092     3.069   64.762   60.476
LGA    E   108_C      E   108_B     1.937     0    0.074   0.387     2.175   68.810   70.212
LGA    N   109_C      N   109_B     2.596     0    0.059   1.022     5.265   57.262   51.548
LGA    H   110_C      H   110_B     2.693     0    0.039   1.072     7.495   59.048   40.238
LGA    L   111_C      L   111_B     1.751     0    0.028   1.354     4.717   68.810   59.940
LGA    K   112_C      K   112_B     2.940     0    0.075   0.640     3.623   55.476   53.280
LGA    F   113_C      F   113_B     3.137     0    0.054   0.171     4.936   55.357   45.022
LGA    L   114_C      L   114_B     2.044     0    0.053   1.254     3.331   66.786   64.107
LGA    F   115_C      F   115_B     2.421     0    0.290   1.308     7.205   59.167   39.740
LGA    D   116_C      D   116_B     3.228     0    0.195   0.703     6.543   70.000   46.131
LGA    N   117_C      N   117_B     4.080     0    0.578   1.202     9.454   43.929   25.774

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      116     464    464  100.00     942    942  100.00               116
SUMMARY(RMSD_GDC):    15.867         15.803                 16.126           29.063   25.271

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0     47    2.59    34.698    31.202     1.749

LGA_LOCAL      RMSD:   2.587  Number of atoms:   47  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.949  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:  15.867  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.988436 * X  +   0.101076 * Y  +   0.113040 * Z  + -26.846630
  Y_new =   0.151518 * X  +   0.628556 * Y  +   0.762863 * Z  + -32.077133
  Z_new =   0.006055 * X  +   0.771169 * Y  +  -0.636602 * Z  +  -4.817771 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.989486 -0.006055  2.260895   [DEG:  171.2849   -0.3469  129.5398 ]
ZXZ:  2.994485  2.260880  0.007852   [DEG:  171.5713  129.5389    0.4499 ]
 
# END of job
