
#######################################################
#                                                     #
#                        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  146 ( 1254),  selected  127 , name one
# Molecule2: number of CA atoms  127 ( 1099),  selected  127 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   117       2_C - 128_C       4.99     5.60
  LCS_AVERAGE:     86.34

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40      74_C - 113_C       1.96     6.84
  LONGEST_CONTINUOUS_SEGMENT:    40      75_C - 114_C       1.97     7.01
  LONGEST_CONTINUOUS_SEGMENT:    40      76_C - 115_C       1.99     7.14
  LCS_AVERAGE:     18.24

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      85_C - 109_C       0.98     6.90
  LONGEST_CONTINUOUS_SEGMENT:    25      86_C - 110_C       0.97     6.76
  LCS_AVERAGE:      9.65

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  127
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     P     2_B     P     2_C      3   26  117      3    3    5   11   29   48   68   77   83   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     I     3_B     I     3_C     20   26  117     11   19   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     Q     4_B     Q     4_C     20   26  117     12   19   28   44   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E     5_B     E     5_C     20   26  117     12   19   28   40   56   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E     6_B     E     6_C     20   26  117     12   19   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     I     7_B     I     7_C     20   26  117     12   19   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     Q     8_B     Q     8_C     20   26  117     12   19   31   46   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     K     9_B     K     9_C     20   26  117     12   19   31   46   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     K    10_B     K    10_C     20   26  117     12   19   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     V    11_B     V    11_C     20   26  117     12   19   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     R    12_B     R    12_C     20   26  117     11   19   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E    13_B     E    13_C     20   26  117     11   19   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     L    14_B     L    14_C     20   26  117      7   17   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     L    15_B     L    15_C     20   26  117     12   19   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E    16_B     E    16_C     20   26  117     12   17   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     K    17_B     K    17_C     20   26  117     12   17   30   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     L    18_B     L    18_C     20   26  117      5   17   20   45   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     I    19_B     I    19_C     20   26  117      5   15   25   45   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E    20_B     E    20_C     20   26  117     12   17   22   45   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     Y    21_B     Y    21_C     20   26  117      7   17   20   42   56   66   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     L    22_B     L    22_C     20   26  117      3   16   30   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E    23_B     E    23_C      5   26  117      4    5    5   16   26   45   60   71   82   88   95   99  103  107  110  112  114  118  119  121 
LCS_GDT     E    24_B     E    24_C      5   26  117      4    5    8   13   24   42   57   65   71   78   89   96  103  107  110  112  114  118  119  121 
LCS_GDT     L    25_B     L    25_C      5   26  117      4   12   28   39   54   62   73   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     K    26_B     K    26_C      5   26  117      4    5   18   46   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E    27_B     E    27_C      3   26  117      3    3   19   31   55   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     K    34_B     K    34_C      3    3  117      4    4    4    4    4    4   10   18   33   43   53   69   79   98  103  109  114  118  119  121 
LCS_GDT     E    35_B     E    35_C      3    3  117      4    4    4    4    4   14   16   27   65   88   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     K    36_B     K    36_C      3    4  117      4    4    4    4    7   13   29   63   80   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     L    37_B     L    37_C      3    7  117      3    3    5    6   11   17   24   35   77   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E    38_B     E    38_C      6    7  117      3   15   28   33   46   56   69   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E    39_B     E    39_C      6    7  117      5   22   30   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     V    40_B     V    40_C      6    7  117      5   22   29   45   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     I    41_B     I    41_C      6    7  117      4    5   25   43   56   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E    42_B     E    42_C      6    7  117      4    8   30   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     G    43_B     G    43_C      6    8  117      6   16   30   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     L    44_B     L    44_C      6    8  117      4   17   25   34   42   58   70   77   83   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E    45_B     E    45_C      6    8  117      4    5    6    6   20   27   31   42   49   63   85   91   99  107  110  111  114  118  119  121 
LCS_GDT     R    46_B     R    46_C      6    8  117      4    5    6    6    9   12   26   53   80   85   92   97  102  107  110  112  114  118  119  121 
LCS_GDT     L    47_B     L    47_C      6    8  117      4   12   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     K    48_B     K    48_C      6    8  117      3    4   14   34   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E    49_B     E    49_C      4    8  117      3    4    7   30   56   66   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E    50_B     E    50_C      4    8  117      3   10   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     V    51_B     V    51_C      3    8  117      3    3   24   37   45   59   73   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     D    52_B     D    52_C      4    8  117      3    3   16   23   40   60   73   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     Q    55_B     Q    55_C      4    8  117      3    3    4   13   19   25   39   63   79   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     L    56_B     L    56_C      4    8  117      3    4    5    7    9   13   36   48   67   81   90  100  103  107  110  112  114  118  119  121 
LCS_GDT     N    57_B     N    57_C      4    8  117      3    4    5    9   40   54   67   71   83   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     M    58_B     M    58_C      4    6  117      3    6   16   31   43   52   71   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     N    59_B     N    59_C      4    6  117      3    5   11   29   36   48   58   71   78   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     L    60_B     L    60_C      4    6  117      3    8   12   29   36   48   64   71   83   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     I    61_B     I    61_C      4    6  117      3    5   22   31   43   51   69   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     V    62_B     V    62_C      4    6  117      4    4   12   19   31   34   44   55   74   83   94  100  103  107  110  112  114  118  119  121 
LCS_GDT     F    63_B     F    63_C      4    6  117      3    5    9   31   41   52   62   71   80   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E    64_B     E    64_C      3    9  117      3    3    4    7   12   25   27   34   45   53   65   75   81   89   97  102  109  115  118  120 
LCS_GDT     G    65_B     G    65_C      5   10  117      3    4    6    8   10   15   26   41   47   59   66   78   85   91  101  111  112  118  119  121 
LCS_GDT     L    66_B     L    66_C      5   10  117      3    4   22   31   36   46   51   66   73   83   92   99  103  107  110  112  114  118  119  121 
LCS_GDT     E    67_B     E    67_C      5   10  117      3    4    6    8   24   37   40   51   60   69   79   85   90  101  108  111  114  118  119  121 
LCS_GDT     V    68_B     V    68_C      5   10  117      3    3    6    9   34   40   51   62   70   81   89   97  102  106  110  112  114  118  119  121 
LCS_GDT     D    69_B     D    69_C      5   10  117      3    4    5   25   33   36   44   54   66   75   85   91   99  105  108  112  114  118  119  121 
LCS_GDT     E    70_B     E    70_C      4   11  117      3    3    6    8   10   38   48   55   64   77   81   89   99  105  108  112  114  118  119  121 
LCS_GDT     E    71_B     E    71_C      6   11  117      4   17   28   38   45   59   69   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     G    72_B     G    72_C      6   12  117      4   15   31   46   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     R    73_B     R    73_C      7   30  117      4   12   30   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     V    74_B     V    74_C      7   40  117      4   15   30   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     W    75_B     W    75_C      7   40  117      4   13   29   46   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     F    76_B     F    76_C      7   40  117      4   17   28   40   58   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     I    77_B     I    77_C      7   40  117      3    7   29   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     V    78_B     V    78_C      7   40  117      3    7    7   21   32   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     K    79_B     K    79_C      7   40  117      7   22   30   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E    80_B     E    80_C      5   40  117      3    4   24   32   38   51   66   76   81   87   92   99  103  107  110  112  114  118  119  121 
LCS_GDT     M    81_B     M    81_C      8   40  117      3    4   12   21   30   35   38   43   53   85   86   90   97  102  108  110  114  115  119  121 
LCS_GDT     L    82_B     L    82_C     11   40  117      3    9   12   21   32   35   60   73   80   85   92   98  103  107  110  112  114  118  119  121 
LCS_GDT     H    83_B     H    83_C     11   40  117      3    5   12   21   30   35   48   73   80   85   92   96  102  107  110  112  114  118  119  121 
LCS_GDT     A    84_B     A    84_C     24   40  117      4    9   24   42   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     T    85_B     T    85_C     25   40  117      6   13   26   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     T    86_B     T    86_C     25   40  117      8   19   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E    87_B     E    87_C     25   40  117      7   22   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E    88_B     E    88_C     25   40  117     10   22   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E    89_B     E    89_C     25   40  117      9   22   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     A    90_B     A    90_C     25   40  117      8   22   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     L    91_B     L    91_C     25   40  117     10   22   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E    92_B     E    92_C     25   40  117     10   22   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     N    93_B     N    93_C     25   40  117     10   22   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     M    94_B     M    94_C     25   40  117     10   22   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     D    95_B     D    95_C     25   40  117     10   22   30   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     K    96_B     K    96_C     25   40  117     10   22   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     F    97_B     F    97_C     25   40  117     10   22   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     L    98_B     L    98_C     25   40  117     10   22   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E    99_B     E    99_C     25   40  117     10   22   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     S   100_B     S   100_C     25   40  117      7   22   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     W   101_B     W   101_C     25   40  117      7   22   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E   102_B     E   102_C     25   40  117      5   22   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     K   103_B     K   103_C     25   40  117      7   22   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     V   104_B     V   104_C     25   40  117      4   17   30   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     F   105_B     F   105_C     25   40  117      8   17   28   43   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     K   106_B     K   106_C     25   40  117      8   22   31   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E   107_B     E   107_C     25   40  117      8   17   30   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     L   108_B     L   108_C     25   40  117      8   11   27   35   56   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     L   109_B     L   109_C     25   40  117      8   17   30   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E   110_B     E   110_C     25   40  117      8   17   30   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     Y   111_B     Y   111_C     24   40  117      8   11   25   34   56   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     H   112_B     H   112_C     24   40  117      8   12   25   35   47   65   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     F   113_B     F   113_C     23   40  117      6   22   30   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E   114_B     E   114_C      6   40  117      4    4    7   21   55   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     H   115_B     H   115_C      4   40  117      4    7   15   34   55   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     N   116_B     N   116_C      3   37  117      3    3    5    6   32   50   64   76   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     S   119_B     S   119_C      3   36  117      1    3   18   34   56   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     P   120_B     P   120_C      3   36  117      3   15   27   35   56   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     T   121_B     T   121_C      3   36  117      3    4    9   12   41   55   69   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     F   122_B     F   122_C      3    9  117      3    3    8   15   19   34   55   65   76   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     D   123_B     D   123_C      8    9  117      6    8    8    9   10   16   22   39   58   74   90  100  103  107  110  112  114  118  119  121 
LCS_GDT     F   124_B     F   124_C      8    9  117      6    8    8    9   10   12   18   24   34   48   74   84   95  105  109  112  114  118  119  121 
LCS_GDT     F   125_B     F   125_C      8    9  117      6    8    8    9   10   11   11   13   17   22   22   25   26   35   39   46   80   91  101  111 
LCS_GDT     L   126_B     L   126_C      8    9  117      6    8    8    9   10   11   11   12   14   16   18   28   41   52   58   72   92  106  118  120 
LCS_GDT     D   127_B     D   127_C      8    9  117      6    8    8    9   10   11   15   26   44   61   79   95  102  106  110  112  114  118  119  121 
LCS_GDT     F   128_B     F   128_C      8    9  117      4    8    8    9   10   11   11   13   17   22   27   32   42   50   66   86  108  115  118  120 
LCS_GDT     L   129_B     L   129_C      8    9   57      4    8    8    9   10   11   11   12   14   15   17   19   33   37   46   52   57   65   75   88 
LCS_GDT     W   130_B     W   130_C      8    9   20      5    6    8    8   10   11   11   12   14   19   29   42   51   61   71   83   95  106  114  117 
LCS_GDT     W   131_B     W   131_C      6    9   20      5    6    6    7    8    9    9   12   31   49   61   73   85  100  106  111  114  118  119  121 
LCS_GDT     Q   132_B     Q   132_C      6    6   20      5    6    6    8   10   21   24   41   51   61   71   84   96  105  109  111  114  118  119  121 
LCS_GDT     L   133_B     L   133_C      6    6   20      5    6    6    7    8   13   18   28   43   53   65   73   82   91  104  111  114  116  118  121 
LCS_GDT     Y   134_B     Y   134_C      6    6   20      5    6    6    7   10   13   20   32   43   55   66   75   84   91  104  111  114  116  118  121 
LCS_GDT     G   135_B     G   135_C      6    6   20      3    6    6   10   18   33   52   65   73   87   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     E   136_B     E   136_C      3    4   20      6   17   30   47   60   68   74   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     P   137_B     P   137_C      3    4   20      3    4   12   36   51   56   69   77   84   89   95  100  103  107  110  112  114  118  119  121 
LCS_GDT     M   138_B     M   138_C      3    4   20      3    3    3    9   15   22   28   42   65   82   91  100  103  107  110  112  114  118  119  121 
LCS_AVERAGE  LCS_A:  38.08  (   9.65   18.24   86.34 )

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     12     22     31     47     60     68     74     77     84     89     95    100    103    107    110    112    114    118    119    121 
GDT PERCENT_AT   9.45  17.32  24.41  37.01  47.24  53.54  58.27  60.63  66.14  70.08  74.80  78.74  81.10  84.25  86.61  88.19  89.76  92.91  93.70  95.28
GDT RMS_LOCAL    0.34   0.69   1.04   1.42   1.67   1.87   2.02   2.13   2.47   2.71   2.99   3.33   3.44   3.62   3.81   4.02   4.15   4.53   4.59   4.78
GDT RMS_ALL_AT   7.01   5.90   5.87   5.86   5.89   5.97   5.98   5.95   5.86   5.82   5.76   5.68   5.72   5.73   5.68   5.65   5.64   5.59   5.60   5.57

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_C
#   possible swapping detected:  E    16_B      E    16_C
#   possible swapping detected:  E    23_B      E    23_C
#   possible swapping detected:  E    27_B      E    27_C
#   possible swapping detected:  E    38_B      E    38_C
#   possible swapping detected:  E    42_B      E    42_C
#   possible swapping detected:  E    45_B      E    45_C
#   possible swapping detected:  E    49_B      E    49_C
#   possible swapping detected:  E    50_B      E    50_C
#   possible swapping detected:  D    52_B      D    52_C
#   possible swapping detected:  F    63_B      F    63_C
#   possible swapping detected:  E    67_B      E    67_C
#   possible swapping detected:  E    87_B      E    87_C
#   possible swapping detected:  F   105_B      F   105_C
#   possible swapping detected:  E   110_B      E   110_C
#   possible swapping detected:  Y   111_B      Y   111_C
#   possible swapping detected:  F   113_B      F   113_C
#   possible swapping detected:  D   123_B      D   123_C
#   possible swapping detected:  F   125_B      F   125_C
#   possible swapping detected:  D   127_B      D   127_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     2_B      P     2_C     4.608     0    0.344   0.400     7.538   36.190   30.068
LGA    I     3_B      I     3_C     1.979     0    0.420   1.555     4.068   68.810   56.964
LGA    Q     4_B      Q     4_C     2.739     0    0.010   1.262     4.895   57.143   55.238
LGA    E     5_B      E     5_C     2.975     0    0.022   1.034     3.803   57.143   50.952
LGA    E     6_B      E     6_C     1.803     0    0.075   0.883     3.548   72.976   69.683
LGA    I     7_B      I     7_C     1.597     0    0.038   0.080     2.461   72.857   69.821
LGA    Q     8_B      Q     8_C     2.575     0    0.026   1.095     4.919   62.857   54.444
LGA    K     9_B      K     9_C     2.201     0    0.034   0.954     8.181   68.810   49.947
LGA    K    10_B      K    10_C     0.908     0    0.081   0.696     2.267   83.690   80.635
LGA    V    11_B      V    11_C     1.520     0    0.087   0.113     2.141   75.000   72.925
LGA    R    12_B      R    12_C     1.747     0    0.121   1.096     4.134   79.405   64.242
LGA    E    13_B      E    13_C     0.723     0    0.127   0.262     1.816   88.214   82.593
LGA    L    14_B      L    14_C     1.699     0    0.037   0.161     3.383   77.143   66.310
LGA    L    15_B      L    15_C     1.000     0    0.028   1.394     4.713   88.214   72.500
LGA    E    16_B      E    16_C     0.779     0    0.146   0.843     4.534   85.952   65.926
LGA    K    17_B      K    17_C     1.485     0    0.072   0.217     2.172   75.119   77.672
LGA    L    18_B      L    18_C     2.566     0    0.038   1.410     5.462   59.048   57.262
LGA    I    19_B      I    19_C     2.185     0    0.049   0.662     2.603   62.857   66.845
LGA    E    20_B      E    20_C     2.347     0    0.159   0.303     3.089   59.167   69.735
LGA    Y    21_B      Y    21_C     3.200     0    0.180   0.308     5.892   48.571   39.167
LGA    L    22_B      L    22_C     1.650     0    0.224   0.319     2.319   70.833   76.310
LGA    E    23_B      E    23_C     4.929     0    0.095   1.157    12.735   29.405   14.709
LGA    E    24_B      E    24_C     7.328     0    0.008   0.330    13.101   13.571    6.349
LGA    L    25_B      L    25_C     4.032     0    0.122   1.378     8.651   49.524   32.321
LGA    K    26_B      K    26_C     2.495     0    0.516   0.963    14.600   72.976   36.455
LGA    E    27_B      E    27_C     2.943     0    0.243   1.372     8.066   43.690   28.201
LGA    K    34_B      K    34_C    13.653     0    0.109   0.771    20.574    0.000    0.000
LGA    E    35_B      E    35_C     7.318     0    0.470   1.061     9.152    9.524   10.053
LGA    K    36_B      K    36_C     6.491     0    0.592   1.311    12.755   14.405    7.672
LGA    L    37_B      L    37_C     6.023     0    0.082   0.121     9.162   19.524   16.131
LGA    E    38_B      E    38_C     4.581     0    0.656   1.177    10.740   40.357   23.122
LGA    E    39_B      E    39_C     1.934     0    0.018   0.764     3.819   71.071   61.905
LGA    V    40_B      V    40_C     2.325     0    0.048   0.058     3.316   66.786   61.633
LGA    I    41_B      I    41_C     2.631     0    0.077   1.190     5.734   62.857   49.643
LGA    E    42_B      E    42_C     1.178     0    0.312   0.430     2.935   83.810   75.291
LGA    G    43_B      G    43_C     0.877     0    0.515   0.515     1.317   88.214   88.214
LGA    L    44_B      L    44_C     4.606     0    0.062   1.219    11.720   35.833   19.226
LGA    E    45_B      E    45_C     7.095     0    0.027   0.888    14.770   14.643    6.667
LGA    R    46_B      R    46_C     5.390     0    0.198   1.211    11.298   30.238   15.368
LGA    L    47_B      L    47_C     1.592     0    0.303   0.825     6.089   77.381   57.024
LGA    K    48_B      K    48_C     2.455     0    0.160   0.917     9.859   62.976   38.571
LGA    E    49_B      E    49_C     3.229     0    0.107   0.623     7.071   55.357   35.397
LGA    E    50_B      E    50_C     1.790     0    0.388   0.850     3.404   70.833   65.132
LGA    V    51_B      V    51_C     3.782     0    0.147   0.159     6.104   50.119   37.891
LGA    D    52_B      D    52_C     4.100     0    0.667   1.189     8.822   45.119   26.845
LGA    Q    55_B      Q    55_C     5.502     0    0.074   1.304     6.267   22.619   24.815
LGA    L    56_B      L    56_C     6.472     0    0.135   1.401    11.317   21.786   13.750
LGA    N    57_B      N    57_C     4.832     0    0.037   0.232     6.159   27.857   26.905
LGA    M    58_B      M    58_C     4.545     0    0.636   0.787     6.374   31.190   25.833
LGA    N    59_B      N    59_C     6.466     0    0.236   1.149    11.654   20.357   11.190
LGA    L    60_B      L    60_C     5.999     0    0.288   1.207     7.018   17.500   33.571
LGA    I    61_B      I    61_C     4.905     0    0.176   1.140     6.058   25.119   34.464
LGA    V    62_B      V    62_C     7.566     0    0.593   0.991     9.236    8.571    7.211
LGA    F    63_B      F    63_C     7.065     0    0.591   1.380    10.731    5.952   15.844
LGA    E    64_B      E    64_C    14.179     0    0.129   1.162    21.009    0.000    0.000
LGA    G    65_B      G    65_C    12.466     0    0.630   0.630    12.484    0.000    0.000
LGA    L    66_B      L    66_C     8.466     0    0.304   0.923    10.946    1.190    5.655
LGA    E    67_B      E    67_C    12.104     0    0.144   1.079    16.816    0.000    0.000
LGA    V    68_B      V    68_C     9.391     0    0.124   1.134    12.608    0.357    3.333
LGA    D    69_B      D    69_C    10.598     0    0.336   0.538    13.884    0.357    0.179
LGA    E    70_B      E    70_C    11.889     0    0.211   1.213    14.853    0.476    0.212
LGA    E    71_B      E    71_C     6.120     0    0.717   0.676     8.335   21.190   19.048
LGA    G    72_B      G    72_C     2.627     0    0.048   0.048     4.101   60.000   60.000
LGA    R    73_B      R    73_C     1.363     0    0.097   1.217     7.142   77.143   55.541
LGA    V    74_B      V    74_C     1.141     0    0.019   1.191     3.874   77.143   72.313
LGA    W    75_B      W    75_C     1.829     0    0.036   0.070     2.233   70.833   70.544
LGA    F    76_B      F    76_C     2.442     0    0.202   0.344     3.518   68.810   56.926
LGA    I    77_B      I    77_C     1.383     0    0.361   1.268     3.671   72.976   70.417
LGA    V    78_B      V    78_C     3.222     0    0.373   0.417     5.379   51.905   43.197
LGA    K    79_B      K    79_C     0.848     0    0.520   0.701    10.324   62.976   43.069
LGA    E    80_B      E    80_C     4.927     0    0.067   0.826     9.684   36.190   22.540
LGA    M    81_B      M    81_C     7.615     0    0.047   0.249    15.132   10.952    5.476
LGA    L    82_B      L    82_C     5.257     0    0.286   0.950     6.466   20.476   37.619
LGA    H    83_B      H    83_C     6.022     0    0.109   1.174    10.831   28.214   12.571
LGA    A    84_B      A    84_C     2.313     0    0.026   0.029     3.782   57.500   58.952
LGA    T    85_B      T    85_C     1.644     0    0.250   0.269     2.373   75.000   72.925
LGA    T    86_B      T    86_C     0.732     0    0.068   0.080     1.096   92.857   87.959
LGA    E    87_B      E    87_C     1.111     0    0.023   0.861     2.917   81.429   75.873
LGA    E    88_B      E    88_C     1.060     0    0.050   0.265     2.153   85.952   79.683
LGA    E    89_B      E    89_C     0.452     0    0.060   0.974     4.029   92.857   79.312
LGA    A    90_B      A    90_C     1.332     0    0.081   0.097     1.706   79.286   78.000
LGA    L    91_B      L    91_C     1.740     0    0.028   0.909     3.250   72.857   70.000
LGA    E    92_B      E    92_C     1.409     0    0.046   0.272     2.063   79.286   76.720
LGA    N    93_B      N    93_C     1.306     0    0.040   1.086     3.263   81.429   76.429
LGA    M    94_B      M    94_C     1.810     0    0.036   0.856     2.542   70.833   68.869
LGA    D    95_B      D    95_C     2.209     0    0.020   0.071     2.832   64.762   61.905
LGA    K    96_B      K    96_C     1.888     0    0.039   1.215     5.359   72.857   62.593
LGA    F    97_B      F    97_C     1.811     0    0.075   1.166     5.941   70.833   55.368
LGA    L    98_B      L    98_C     1.940     0    0.075   0.182     2.092   70.833   70.833
LGA    E    99_B      E    99_C     1.918     0    0.055   0.183     2.070   75.000   70.212
LGA    S   100_B      S   100_C     1.482     0    0.091   0.542     1.877   81.548   78.651
LGA    W   101_B      W   101_C     1.521     0    0.032   0.246     3.537   77.143   61.497
LGA    E   102_B      E   102_C     1.303     0    0.044   0.882     4.091   83.690   72.963
LGA    K   103_B      K   103_C     0.323     0    0.079   0.639     2.300   90.595   90.847
LGA    V   104_B      V   104_C     1.003     0    0.062   0.772     1.899   81.548   81.565
LGA    F   105_B      F   105_C     2.310     0    0.000   0.228     4.713   68.810   50.476
LGA    K   106_B      K   106_C     1.462     0    0.048   0.623     6.391   85.952   61.958
LGA    E   107_B      E   107_C     1.354     0    0.017   0.391     2.642   79.405   70.423
LGA    L   108_B      L   108_C     2.639     0    0.016   0.636     4.752   62.976   51.726
LGA    L   109_B      L   109_C     1.781     0    0.039   1.361     5.070   77.143   69.405
LGA    E   110_B      E   110_C     0.926     0    0.016   0.880     2.713   81.667   74.180
LGA    Y   111_B      Y   111_C     3.009     0    0.020   0.050     7.370   52.024   33.056
LGA    H   112_B      H   112_C     3.388     0    0.126   0.197     7.783   59.167   34.714
LGA    F   113_B      F   113_C     0.624     0    0.028   0.950     2.199   79.524   79.307
LGA    E   114_B      E   114_C     3.510     0    0.369   1.050    10.202   53.810   30.053
LGA    H   115_B      H   115_C     3.052     0    0.146   1.038     6.766   51.786   39.429
LGA    N   116_B      N   116_C     4.557     0    0.083   0.084     5.299   35.714   32.917
LGA    S   119_B      S   119_C     2.926     0    0.135   0.733     3.220   55.357   60.000
LGA    P   120_B      P   120_C     3.060     0    0.635   0.627     4.021   50.119   48.231
LGA    T   121_B      T   121_C     5.252     0    0.630   1.362     9.089   26.071   16.531
LGA    F   122_B      F   122_C     6.975     0    0.589   0.782     9.153   12.381    7.013
LGA    D   123_B      D   123_C     8.152     0    0.635   1.218    11.781    7.381    4.524
LGA    F   124_B      F   124_C    10.521     0    0.030   1.371    15.555    0.357    0.130
LGA    F   125_B      F   125_C    16.388     0    0.060   1.061    25.438    0.000    0.000
LGA    L   126_B      L   126_C    14.384     0    0.081   1.296    17.032    0.000    0.000
LGA    D   127_B      D   127_C     8.879     0    0.039   0.953    10.518    0.833    9.702
LGA    F   128_B      F   128_C    14.010     0    0.101   1.272    20.702    0.000    0.000
LGA    L   129_B      L   129_C    18.092     0    0.195   1.346    24.413    0.000    0.000
LGA    W   130_B      W   130_C    14.408     0    0.604   1.339    16.844    0.000    0.000
LGA    W   131_B      W   131_C    10.625     0    0.164   1.326    12.181    0.476    3.129
LGA    Q   132_B      Q   132_C     9.685     0    0.111   0.999    10.306    0.238    3.069
LGA    L   133_B      L   133_C    11.528     0    0.033   1.405    14.802    0.000    0.000
LGA    Y   134_B      Y   134_C    11.721     0    0.045   1.591    20.035    0.000    0.000
LGA    G   135_B      G   135_C     7.127     0    0.295   0.295     8.535   16.310   16.310
LGA    E   136_B      E   136_C     2.220     0    0.610   0.526     6.746   43.214   44.339
LGA    P   137_B      P   137_C     5.214     0    0.099   0.122     8.409   22.857   32.721
LGA    M   138_B      M   138_C     7.820     0    0.652   1.101    12.976    7.262    4.821

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      127     508    508  100.00    1099   1099  100.00               127
SUMMARY(RMSD_GDC):     5.540          5.485                  6.817           47.790   41.926

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  146  127    4.0     77    2.13    50.787    45.795     3.445

LGA_LOCAL      RMSD:   2.135  Number of atoms:   77  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.947  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:   5.540  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.669543 * X  +  -0.727457 * Y  +  -0.150063 * Z  +  32.195251
  Y_new =   0.319819 * X  +   0.099998 * Y  +   0.942187 * Z  + -57.564728
  Z_new =  -0.670394 * X  +  -0.678828 * Y  +   0.299608 * Z  + 127.384598 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.445622  0.734740 -1.155150   [DEG:   25.5323   42.0975  -66.1852 ]
ZXZ: -2.983648  1.266515 -2.362445   [DEG: -170.9504   72.5660 -135.3581 ]
 
# END of job
