
#######################################################
#                                                     #
#                        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  147 ( 1260),  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:    47       2_C - 56_C        4.70    34.60
  LCS_AVERAGE:     29.88

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27      89_C - 115_C       1.74    25.27
  LCS_AVERAGE:     11.75

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      90_C - 114_C       0.54    25.37
  LCS_AVERAGE:      9.86

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    3   47      3    3    4    4    4    4    6   10   30   39   42   43   44   45   45   45   45   45   46   46 
LCS_GDT     I     3_B     I     3_C      3    3   47      3    3    4    4    4   12   19   26   31   38   41   43   44   45   45   45   45   47   47   47 
LCS_GDT     Q     4_B     Q     4_C      3    4   47      3    3    5    8   15   20   27   36   39   41   42   43   44   45   45   45   45   47   47   47 
LCS_GDT     E     5_B     E     5_C      3    4   47      3    3    3   11   15   19   27   36   39   41   42   43   44   45   45   45   45   47   47   47 
LCS_GDT     E     6_B     E     6_C      3   22   47      3    3    3    9   13   19   27   36   39   41   42   43   44   45   45   45   45   47   47   47 
LCS_GDT     I     7_B     I     7_C     20   22   47      5   17   20   20   22   22   27   36   39   41   42   43   44   45   45   45   45   47   47   47 
LCS_GDT     Q     8_B     Q     8_C     20   22   47      5   13   20   20   22   22   23   24   27   33   42   43   44   45   45   45   45   47   47   47 
LCS_GDT     K     9_B     K     9_C     20   22   47      5   14   20   20   22   22   23   24   39   41   42   43   44   45   45   45   45   47   47   47 
LCS_GDT     K    10_B     K    10_C     20   22   47      5   16   20   20   22   22   27   36   39   41   42   43   44   45   45   45   45   47   47   47 
LCS_GDT     V    11_B     V    11_C     20   22   47     10   17   20   20   22   22   24   36   39   41   42   43   44   45   45   45   45   47   47   47 
LCS_GDT     R    12_B     R    12_C     20   22   47      9   17   20   20   22   22   23   28   39   41   42   43   44   45   45   45   45   47   47   51 
LCS_GDT     E    13_B     E    13_C     20   22   47      9   17   20   20   22   22   27   36   39   41   42   43   44   45   45   45   45   47   47   51 
LCS_GDT     L    14_B     L    14_C     20   22   47     10   17   20   20   22   22   27   36   39   41   42   43   44   45   45   45   47   49   52   54 
LCS_GDT     L    15_B     L    15_C     20   22   47     10   17   20   20   22   22   23   36   39   41   42   43   44   45   45   47   48   49   51   54 
LCS_GDT     E    16_B     E    16_C     20   22   47     10   17   20   20   22   22   23   36   39   41   42   43   44   45   45   47   48   50   53   56 
LCS_GDT     K    17_B     K    17_C     20   22   47     10   17   20   20   22   22   27   36   39   41   42   43   44   45   45   47   48   51   53   56 
LCS_GDT     L    18_B     L    18_C     20   22   47     10   17   20   20   22   29   29   36   39   41   42   43   44   45   45   47   48   51   53   56 
LCS_GDT     I    19_B     I    19_C     20   22   47     10   17   20   20   22   22   27   36   39   41   42   43   44   45   45   47   48   51   53   56 
LCS_GDT     E    20_B     E    20_C     20   22   47     10   17   20   20   28   29   29   36   39   41   42   43   44   45   45   47   48   51   53   56 
LCS_GDT     Y    21_B     Y    21_C     20   22   47     10   17   20   20   22   22   27   36   39   41   42   43   44   45   45   45   47   50   53   54 
LCS_GDT     L    22_B     L    22_C     20   22   47     10   17   20   20   22   22   24   36   39   41   42   43   44   45   45   45   46   49   51   54 
LCS_GDT     E    23_B     E    23_C     20   22   47     10   17   20   20   22   22   27   36   39   41   42   43   44   45   45   45   46   49   51   52 
LCS_GDT     E    24_B     E    24_C     20   22   47      9   17   20   20   22   22   23   36   39   41   42   43   44   45   45   45   45   49   51   52 
LCS_GDT     L    25_B     L    25_C     20   22   47      6   17   20   20   22   22   23   25   39   41   42   43   44   45   45   45   45   47   47   47 
LCS_GDT     K    26_B     K    26_C     20   22   47     10   17   20   20   22   22   27   36   39   41   42   43   44   45   45   45   45   47   47   47 
LCS_GDT     E    27_B     E    27_C     19   22   47      3    3    3   13   22   22   27   36   39   41   42   43   44   45   45   45   45   47   47   47 
LCS_GDT     K    34_B     K    34_C     18   20   47      7   17   18   19   19   19   20   34   39   41   42   43   44   45   45   45   45   47   47   47 
LCS_GDT     E    35_B     E    35_C     18   20   47     10   17   18   19   19   19   27   36   39   41   42   43   44   45   45   45   45   47   47   47 
LCS_GDT     K    36_B     K    36_C     18   20   47     10   17   18   19   19   19   27   36   39   41   42   43   44   45   45   45   45   47   47   47 
LCS_GDT     L    37_B     L    37_C     18   20   47     10   17   18   19   19   19   26   36   39   41   42   43   44   45   45   45   45   47   47   47 
LCS_GDT     E    38_B     E    38_C     18   20   47     10   17   18   19   19   19   25   36   39   41   42   43   44   45   45   45   45   47   47   47 
LCS_GDT     E    39_B     E    39_C     18   20   47     10   17   18   19   19   19   27   36   39   41   42   43   44   45   45   45   45   47   47   50 
LCS_GDT     V    40_B     V    40_C     18   20   47     10   17   18   19   19   19   27   36   39   41   42   43   44   45   45   45   46   49   51   52 
LCS_GDT     I    41_B     I    41_C     18   20   47     10   17   18   19   19   19   27   36   39   41   42   43   44   45   45   45   45   49   51   52 
LCS_GDT     E    42_B     E    42_C     18   20   47     10   17   18   19   19   19   27   36   39   41   42   43   44   45   45   45   46   49   51   52 
LCS_GDT     G    43_B     G    43_C     18   20   47     10   17   18   19   19   19   27   36   39   41   42   43   44   45   45   46   48   51   53   56 
LCS_GDT     L    44_B     L    44_C     18   20   47     10   17   18   19   28   29   29   36   39   41   42   43   44   45   45   47   48   51   53   56 
LCS_GDT     E    45_B     E    45_C     18   20   47     10   17   18   19   19   19   27   36   39   41   42   43   44   45   45   45   47   49   52   54 
LCS_GDT     R    46_B     R    46_C     18   20   47      6   17   18   26   28   29   29   36   39   41   42   43   44   45   45   47   48   51   53   56 
LCS_GDT     L    47_B     L    47_C     18   20   47      7   17   18   19   19   19   25   36   39   41   42   43   44   45   45   47   48   51   53   56 
LCS_GDT     K    48_B     K    48_C     18   20   47      8   17   18   19   19   19   27   36   39   41   42   43   44   45   45   47   48   49   51   54 
LCS_GDT     E    49_B     E    49_C     18   20   47      6   17   18   19   19   19   27   36   39   41   42   43   44   45   45   46   48   49   50   51 
LCS_GDT     E    50_B     E    50_C     18   20   47      4   17   18   19   19   19   25   36   39   41   42   43   44   45   45   45   48   49   50   52 
LCS_GDT     V    51_B     V    51_C     18   20   47      4   14   18   19   19   19   24   36   39   41   42   43   44   45   45   45   45   47   47   48 
LCS_GDT     D    52_B     D    52_C      4   20   47      3    3    4    9   14   18   20   21   31   39   41   43   44   45   45   45   45   47   47   47 
LCS_GDT     Q    55_B     Q    55_C      3   20   47      0    3    7   14   17   18   20   21   22   25   28   33   36   39   43   45   45   47   47   47 
LCS_GDT     L    56_B     L    56_C      3    3   47      0    3    3    3   10   13   17   18   21   22   27   29   33   35   37   41   43   47   47   47 
LCS_GDT     N    57_B     N    57_C      4    4   46      3    4    5    5   11   21   23   24   26   27   28   30   33   35   37   42   43   47   47   47 
LCS_GDT     M    58_B     M    58_C      4    4   26      3    4    5    5    5    5   13   16   18   25   26   30   31   32   34   35   37   38   41   43 
LCS_GDT     N    59_B     N    59_C      4    4   25      3    4    5    5    5    5   14   17   24   25   28   30   31   32   34   35   37   37   38   40 
LCS_GDT     L    60_B     L    60_C      4    4   25      3    4    5    5   22   22   22   22   24   25   28   30   31   32   34   35   37   37   38   40 
LCS_GDT     I    61_B     I    61_C      5    7   14      3    4    5    6    6    7    7    8   10   11   13   18   23   26   28   30   32   34   35   39 
LCS_GDT     V    62_B     V    62_C      5    7   14      3    4    5    6    6    7    7    8   10   10   12   13   20   23   26   30   32   33   35   38 
LCS_GDT     F    63_B     F    63_C      5    7   14      3    4    5    6    6    7    7    8   10   10   12   13   20   21   23   29   31   33   35   38 
LCS_GDT     E    64_B     E    64_C      5    7   14      3    4    5    6    6    7    7    8   10   11   13   16   20   21   24   28   32   32   34   36 
LCS_GDT     G    65_B     G    65_C      5    7   14      3    4    5    6    6    7    7    8   10   11   13   16   20   21   23   43   47   49   51   54 
LCS_GDT     L    66_B     L    66_C      5    7   14      3    4    5    6    6    7    7    8   10   10   12   19   30   40   43   46   48   49   52   54 
LCS_GDT     E    67_B     E    67_C      4    7   14      3    4    4    5    6    7    7    8   10   11   31   36   37   40   44   46   48   50   52   56 
LCS_GDT     V    68_B     V    68_C      4    7   14      3    4    5    5    6    7    8   14   29   34   35   37   39   40   44   46   48   51   53   56 
LCS_GDT     D    69_B     D    69_C      4    6   14      3    4    7   16   20   26   27   29   31   34   35   37   39   40   44   46   48   51   53   56 
LCS_GDT     E    70_B     E    70_C      4    6   14      3    4    5    5    5    6    7    8   10   10   11   13   13   29   29   44   46   49   51   56 
LCS_GDT     E    71_B     E    71_C      4    6   14      3    4    5    5    5    6    7    7    9    9   11   13   13   15   17   19   23   30   51   51 
LCS_GDT     G    72_B     G    72_C      4    6   43      3    3    5    5    5    6    7    8    9   10   11   13   18   23   27   44   46   49   51   52 
LCS_GDT     R    73_B     R    73_C      3    5   44      3    3    3    4    5    6    7    8    9   12   17   19   20   32   39   44   46   49   51   56 
LCS_GDT     V    74_B     V    74_C      3    5   44      0    3    3    4    5    6    7    8   23   23   24   25   30   33   39   44   46   51   53   56 
LCS_GDT     W    75_B     W    75_C      3    3   44      3    3    3    3    3    4   11   11   18   29   33   36   39   39   44   46   48   51   53   56 
LCS_GDT     F    76_B     F    76_C      3    3   44      3    3    3    3    3   13   20   23   29   34   35   37   39   39   44   46   48   51   53   56 
LCS_GDT     I    77_B     I    77_C      3    3   44      3    3    3    6    9   11   16   20   29   34   35   37   39   39   44   46   48   51   53   56 
LCS_GDT     V    78_B     V    78_C      3    4   44      3    3    4    6    6   21   23   29   32   34   35   37   39   40   44   47   48   51   53   56 
LCS_GDT     K    79_B     K    79_C      3    4   44      3    3    4    6    6    8   10   12   12   31   32   32   36   39   44   46   48   50   52   56 
LCS_GDT     E    80_B     E    80_C      3    4   44      3    3    4    6   21   25   27   31   32   34   35   37   39   40   44   46   48   51   53   56 
LCS_GDT     M    81_B     M    81_C      3    4   44      3   11   21   24   26   26   28   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     L    82_B     L    82_C      3    3   44      3    4    6   10   15   25   28   31   32   34   35   37   40   43   45   47   48   51   53   56 
LCS_GDT     H    83_B     H    83_C      3    3   44      3    3    6   10   15   22   28   31   32   33   35   37   39   42   44   47   48   51   53   56 
LCS_GDT     A    84_B     A    84_C      3    4   44      3    3    4    9   16   23   28   31   31   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     T    85_B     T    85_C      3    4   44      3    3    4    4    4    5    8   10   16   19   31   36   40   43   45   47   48   51   53   56 
LCS_GDT     T    86_B     T    86_C      4    4   44      3    4    4    4    4    5    8   13   23   29   32   36   40   43   45   47   48   51   53   56 
LCS_GDT     E    87_B     E    87_C      4    4   44      3    4    4    7   12   15   21   27   31   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     E    88_B     E    88_C      4    4   44      3    6    7   10   13   15   18   24   27   33   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     E    89_B     E    89_C      4   27   44      3    6    6   12   18   25   28   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     A    90_B     A    90_C     25   27   44     16   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     L    91_B     L    91_C     25   27   44     16   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     E    92_B     E    92_C     25   27   44     16   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     N    93_B     N    93_C     25   27   44     16   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     M    94_B     M    94_C     25   27   44     16   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     D    95_B     D    95_C     25   27   44     17   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     K    96_B     K    96_C     25   27   44     17   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     F    97_B     F    97_C     25   27   44     17   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     L    98_B     L    98_C     25   27   44     17   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     E    99_B     E    99_C     25   27   44     17   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     S   100_B     S   100_C     25   27   44     17   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     W   101_B     W   101_C     25   27   44     17   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     E   102_B     E   102_C     25   27   44     17   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     K   103_B     K   103_C     25   27   44     16   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     V   104_B     V   104_C     25   27   44     16   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     F   105_B     F   105_C     25   27   44     17   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     K   106_B     K   106_C     25   27   44     17   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     E   107_B     E   107_C     25   27   44     17   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     L   108_B     L   108_C     25   27   44     17   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     L   109_B     L   109_C     25   27   44     17   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     E   110_B     E   110_C     25   27   44     17   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     Y   111_B     Y   111_C     25   27   44     17   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     H   112_B     H   112_C     25   27   44     17   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     F   113_B     F   113_C     25   27   44     17   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     E   114_B     E   114_C     25   27   44      3   24   25   26   28   29   29   31   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     H   115_B     H   115_C      4   27   44      3    4    6    9   13   20   28   30   32   34   36   37   40   43   45   47   48   51   53   56 
LCS_GDT     N   116_B     N   116_C      4    5   44      3    4    6    8   10   15   18   25   26   31   34   37   40   43   45   47   48   49   50   54 
LCS_GDT     S   119_B     S   119_C      4    5   34      3    4    6    8    9   11   13   20   26   27   30   30   30   31   32   32   38   39   43   44 
LCS_GDT     P   120_B     P   120_C      3    5   33      3    3    3    4    6   11   13   15   21   26   30   30   30   30   31   32   33   34   35   40 
LCS_GDT     T   121_B     T   121_C      3    4   33      3    3    3    3    4    4    6    7    9   11   12   14   16   17   25   32   33   34   35   37 
LCS_GDT     F   122_B     F   122_C      3    4   33      3    3    3    3    4    4    6    8    9   11   12   14   16   17   18   21   31   33   34   36 
LCS_GDT     D   123_B     D   123_C      3    4   15      3    3    3    3    4    4    6    8    9   10   12   14   16   16   18   22   31   33   34   36 
LCS_GDT     F   124_B     F   124_C      3    4   15      3    3    3    3    4    5    6    7    8   11   12   14   16   16   18   18   19   20   25   28 
LCS_GDT     F   125_B     F   125_C      3    4   15      3    3    3    3    5    5    6    8    9   11   12   14   16   16   18   18   19   20   22   22 
LCS_GDT     L   126_B     L   126_C      3    4   15      3    3    3    4    4    5    6    8    9   11   12   14   16   16   18   18   19   20   22   22 
LCS_GDT     D   127_B     D   127_C      3    4   15      3    3    3    4    4    4    6    8    9   11   12   14   15   16   18   18   19   20   22   22 
LCS_GDT     F   128_B     F   128_C      3    4   15      3    3    3    4    4    4    5    8    9   10   11   14   16   16   18   18   19   19   22   22 
LCS_GDT     L   129_B     L   129_C      3    4   15      3    3    3    4    4    5    6    7    8   10   12   14   16   16   18   18   19   20   22   22 
LCS_GDT     W   130_B     W   130_C      3    4   15      3    3    3    4    4    5    6    8    9   11   12   14   16   16   18   18   19   20   22   22 
LCS_GDT     W   131_B     W   131_C      3    4   15      3    3    3    4    5    5    6    7    8   11   12   14   16   16   18   18   19   20   22   22 
LCS_GDT     Q   132_B     Q   132_C      3    7   15      3    3    3    5    7    7    7    7    9   11   12   14   16   16   18   18   19   20   22   22 
LCS_GDT     L   133_B     L   133_C      3    7   15      3    3    3    5    7    7    7    7    8   10   12   14   16   16   18   18   19   20   22   22 
LCS_GDT     Y   134_B     Y   134_C      3    7   12      3    3    4    5    7    7    7    7    8    9   12   14   16   16   18   18   19   20   22   22 
LCS_GDT     G   135_B     G   135_C      4    7   12      3    4    4    5    7    7    7    7    7    8   10   12   13   15   16   18   19   20   22   22 
LCS_GDT     E   136_B     E   136_C      4    7   11      3    4    4    5    7    7    7    7    7    8    9   10   10   13   16   17   19   20   22   22 
LCS_GDT     P   137_B     P   137_C      4    7   11      3    4    4    5    7    7    7    7    7    8    9   10   10   11   12   13   14   16   18   20 
LCS_GDT     M   138_B     M   138_C      4    7   11      3    4    4    5    7    7    7    7    7    8    9   10   10   11   11   12   13   14   14   14 
LCS_AVERAGE  LCS_A:  17.16  (   9.86   11.75   29.88 )

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     17     24     25     26     28     29     29     36     39     41     42     43     44     45     45     47     48     51     53     56 
GDT PERCENT_AT  13.39  18.90  19.69  20.47  22.05  22.83  22.83  28.35  30.71  32.28  33.07  33.86  34.65  35.43  35.43  37.01  37.80  40.16  41.73  44.09
GDT RMS_LOCAL    0.31   0.48   0.54   1.23   1.35   1.47   1.47   3.18   3.35   3.48   3.57   3.65   3.73   3.84   3.84   4.76   4.84   5.26   5.49   5.86
GDT RMS_ALL_AT  25.51  25.35  25.37  24.52  24.50  24.44  24.44  35.20  35.12  35.20  35.26  35.11  35.16  35.15  35.15  24.29  25.70  25.47  25.43  25.68

# Checking swapping
#   possible swapping detected:  E    13_B      E    13_C
#   possible swapping detected:  E    16_B      E    16_C
#   possible swapping detected:  E    23_B      E    23_C
#   possible swapping detected:  E    24_B      E    24_C
#   possible swapping detected:  E    27_B      E    27_C
#   possible swapping detected:  E    35_B      E    35_C
#   possible swapping detected:  E    39_B      E    39_C
#   possible swapping detected:  E    42_B      E    42_C
#   possible swapping detected:  E    50_B      E    50_C
#   possible swapping detected:  D    69_B      D    69_C
#   possible swapping detected:  E    70_B      E    70_C
#   possible swapping detected:  E    71_B      E    71_C
#   possible swapping detected:  E    80_B      E    80_C
#   possible swapping detected:  E    88_B      E    88_C
#   possible swapping detected:  D    95_B      D    95_C
#   possible swapping detected:  F    97_B      F    97_C
#   possible swapping detected:  E    99_B      E    99_C
#   possible swapping detected:  E   102_B      E   102_C
#   possible swapping detected:  F   105_B      F   105_C
#   possible swapping detected:  E   107_B      E   107_C
#   possible swapping detected:  F   125_B      F   125_C
#   possible swapping detected:  E   136_B      E   136_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     2_B      P     2_C     6.063     0    0.617   0.586     7.452   16.310   14.626
LGA    I     3_B      I     3_C     5.934     0    0.659   0.918     9.122   24.048   14.048
LGA    Q     4_B      Q     4_C     3.219     0    0.622   0.843     8.215   47.143   33.122
LGA    E     5_B      E     5_C     3.141     0    0.617   0.554     7.403   55.476   38.360
LGA    E     6_B      E     6_C     2.514     0    0.629   0.629     9.253   65.000   36.772
LGA    I     7_B      I     7_C     2.354     0    0.606   1.217     5.139   59.881   53.750
LGA    Q     8_B      Q     8_C     7.100     0    0.065   1.324    14.507   16.429    7.354
LGA    K     9_B      K     9_C     6.386     0    0.053   1.245    16.073   27.143   12.857
LGA    K    10_B      K    10_C     2.158     0    0.086   0.651     6.880   71.310   45.608
LGA    V    11_B      V    11_C     3.597     0    0.052   1.133     7.239   52.381   36.327
LGA    R    12_B      R    12_C     5.361     0    0.095   0.745    12.878   35.952   13.853
LGA    E    13_B      E    13_C     3.503     0    0.057   0.712     9.669   53.810   30.265
LGA    L    14_B      L    14_C     2.919     0    0.063   1.400     8.946   62.976   40.595
LGA    L    15_B      L    15_C     3.924     0    0.060   1.417    10.363   48.452   28.393
LGA    E    16_B      E    16_C     4.175     0    0.102   0.952     9.298   48.571   25.291
LGA    K    17_B      K    17_C     2.824     0    0.044   0.705     9.359   60.952   33.968
LGA    L    18_B      L    18_C     3.371     0    0.089   0.080     8.656   57.262   35.179
LGA    I    19_B      I    19_C     3.346     0    0.037   1.559     9.600   57.262   37.560
LGA    E    20_B      E    20_C     3.166     0    0.045   1.047     6.389   59.167   39.365
LGA    Y    21_B      Y    21_C     3.730     0    0.050   0.258    10.780   50.357   23.056
LGA    L    22_B      L    22_C     3.772     0    0.040   0.326     8.440   53.690   33.274
LGA    E    23_B      E    23_C     2.657     0    0.047   1.095     6.747   66.905   40.899
LGA    E    24_B      E    24_C     4.176     0    0.039   1.183     9.521   42.262   22.487
LGA    L    25_B      L    25_C     5.279     0    0.135   1.017    10.980   33.214   18.452
LGA    K    26_B      K    26_C     3.093     0    0.603   1.090     5.430   65.357   47.989
LGA    E    27_B      E    27_C     3.161     0    0.578   0.999     5.112   50.119   45.185
LGA    K    34_B      K    34_C     5.561     0    0.243   0.822    11.035   33.214   17.143
LGA    E    35_B      E    35_C     2.677     0    0.097   0.986     6.860   63.214   46.561
LGA    K    36_B      K    36_C     2.138     0    0.035   1.331     3.639   64.881   56.772
LGA    L    37_B      L    37_C     4.307     0    0.038   1.424    10.354   43.452   26.548
LGA    E    38_B      E    38_C     3.739     0    0.040   0.234     8.606   51.905   31.376
LGA    E    39_B      E    39_C     1.807     0    0.051   0.644     6.230   75.000   52.381
LGA    V    40_B      V    40_C     2.481     0    0.054   0.146     4.483   66.786   54.966
LGA    I    41_B      I    41_C     3.500     0    0.033   0.084     7.040   53.690   37.381
LGA    E    42_B      E    42_C     2.794     0    0.058   0.998     7.999   62.857   39.312
LGA    G    43_B      G    43_C     2.540     0    0.054   0.054     2.565   62.976   62.976
LGA    L    44_B      L    44_C     2.828     0    0.047   0.834     4.440   62.857   53.274
LGA    E    45_B      E    45_C     2.880     0    0.067   0.218     8.404   62.857   35.661
LGA    R    46_B      R    46_C     3.296     0    0.054   0.980     8.883   52.024   25.931
LGA    L    47_B      L    47_C     3.794     0    0.082   0.991     5.041   48.452   43.810
LGA    K    48_B      K    48_C     2.616     0    0.061   0.858     9.806   62.857   38.466
LGA    E    49_B      E    49_C     2.229     0    0.207   0.533     4.661   64.881   54.021
LGA    E    50_B      E    50_C     3.772     0    0.236   0.985    10.416   45.238   24.709
LGA    V    51_B      V    51_C     4.409     0    0.117   0.191     5.998   32.024   31.156
LGA    D    52_B      D    52_C     5.915     0    0.181   0.768     7.423   23.810   18.214
LGA    Q    55_B      Q    55_C    12.615     0    0.608   1.214    19.272    0.119    0.053
LGA    L    56_B      L    56_C    16.288     0    0.582   0.438    20.670    0.000    0.000
LGA    N    57_B      N    57_C    17.304     0    0.587   0.818    19.448    0.000    0.000
LGA    M    58_B      M    58_C    21.378     0    0.075   1.286    24.878    0.000    0.000
LGA    N    59_B      N    59_C    27.217     0    0.606   1.287    31.880    0.000    0.000
LGA    L    60_B      L    60_C    26.921     0    0.607   0.563    30.319    0.000    0.000
LGA    I    61_B      I    61_C    29.603     0    0.583   1.461    30.884    0.000    0.000
LGA    V    62_B      V    62_C    32.702     0    0.100   0.835    34.444    0.000    0.000
LGA    F    63_B      F    63_C    36.722     0    0.135   1.264    41.431    0.000    0.000
LGA    E    64_B      E    64_C    37.481     0    0.079   0.979    38.997    0.000    0.000
LGA    G    65_B      G    65_C    40.321     0    0.104   0.104    41.020    0.000    0.000
LGA    L    66_B      L    66_C    43.120     0    0.074   1.040    47.174    0.000    0.000
LGA    E    67_B      E    67_C    44.329     0    0.612   0.811    46.872    0.000    0.000
LGA    V    68_B      V    68_C    47.673     0    0.648   0.653    49.919    0.000    0.000
LGA    D    69_B      D    69_C    49.306     0    0.172   1.150    51.236    0.000    0.000
LGA    E    70_B      E    70_C    51.339     0    0.027   0.909    56.062    0.000    0.000
LGA    E    71_B      E    71_C    46.905     0    0.499   1.226    50.453    0.000    0.000
LGA    G    72_B      G    72_C    40.865     0    0.378   0.378    43.411    0.000    0.000
LGA    R    73_B      R    73_C    40.564     0    0.595   0.914    45.257    0.000    0.000
LGA    V    74_B      V    74_C    37.974     0    0.602   0.914    38.760    0.000    0.000
LGA    W    75_B      W    75_C    34.704     0    0.597   1.383    35.991    0.000    0.000
LGA    F    76_B      F    76_C    32.403     0    0.594   1.152    34.315    0.000    0.000
LGA    I    77_B      I    77_C    38.283     0    0.618   0.805    43.821    0.000    0.000
LGA    V    78_B      V    78_C    37.058     0    0.584   1.362    38.722    0.000    0.000
LGA    K    79_B      K    79_C    35.875     0    0.146   0.754    38.634    0.000    0.000
LGA    E    80_B      E    80_C    38.783     0    0.582   1.382    46.616    0.000    0.000
LGA    M    81_B      M    81_C    40.508     0    0.617   0.516    43.557    0.000    0.000
LGA    L    82_B      L    82_C    39.067     0    0.555   1.208    39.408    0.000    0.000
LGA    H    83_B      H    83_C    40.602     0    0.582   0.501    44.345    0.000    0.000
LGA    A    84_B      A    84_C    44.429     0    0.602   0.564    46.785    0.000    0.000
LGA    T    85_B      T    85_C    48.844     0    0.080   1.156    50.881    0.000    0.000
LGA    T    86_B      T    86_C    47.760     0    0.561   1.014    47.760    0.000    0.000
LGA    E    87_B      E    87_C    47.358     0    0.063   0.649    48.077    0.000    0.000
LGA    E    88_B      E    88_C    49.723     0    0.061   1.075    53.397    0.000    0.000
LGA    E    89_B      E    89_C    48.413     0    0.316   1.004    54.747    0.000    0.000
LGA    A    90_B      A    90_C    46.335     0    0.587   0.588    47.087    0.000    0.000
LGA    L    91_B      L    91_C    42.861     0    0.041   1.129    45.395    0.000    0.000
LGA    E    92_B      E    92_C    44.361     0    0.076   0.377    52.285    0.000    0.000
LGA    N    93_B      N    93_C    41.767     0    0.036   0.877    47.276    0.000    0.000
LGA    M    94_B      M    94_C    35.403     0    0.053   0.879    38.129    0.000    0.000
LGA    D    95_B      D    95_C    34.642     0    0.096   1.118    36.518    0.000    0.000
LGA    K    96_B      K    96_C    36.880     0    0.048   0.855    41.113    0.000    0.000
LGA    F    97_B      F    97_C    32.335     0    0.052   1.471    34.134    0.000    0.000
LGA    L    98_B      L    98_C    26.326     0    0.046   1.031    28.846    0.000    0.000
LGA    E    99_B      E    99_C    28.279     0    0.047   1.394    31.721    0.000    0.000
LGA    S   100_B      S   100_C    30.406     0    0.073   0.565    32.467    0.000    0.000
LGA    W   101_B      W   101_C    24.136     0    0.021   1.535    26.374    0.000    0.000
LGA    E   102_B      E   102_C    20.596     0    0.055   0.958    22.092    0.000    0.000
LGA    K   103_B      K   103_C    26.145     0    0.078   0.951    36.301    0.000    0.000
LGA    V   104_B      V   104_C    26.968     0    0.035   1.061    28.643    0.000    0.000
LGA    F   105_B      F   105_C    20.610     0    0.033   1.395    22.502    0.000    0.000
LGA    K   106_B      K   106_C    22.505     0    0.050   1.130    25.415    0.000    0.000
LGA    E   107_B      E   107_C    29.265     0    0.057   1.207    34.660    0.000    0.000
LGA    L   108_B      L   108_C    26.999     0    0.035   1.388    27.872    0.000    0.000
LGA    L   109_B      L   109_C    24.374     0    0.041   0.332    27.905    0.000    0.000
LGA    E   110_B      E   110_C    30.078     0    0.041   1.254    33.681    0.000    0.000
LGA    Y   111_B      Y   111_C    34.703     0    0.032   1.142    44.496    0.000    0.000
LGA    H   112_B      H   112_C    31.862     0    0.113   1.165    34.653    0.000    0.000
LGA    F   113_B      F   113_C    34.010     0    0.115   1.343    38.453    0.000    0.000
LGA    E   114_B      E   114_C    39.711     0    0.550   1.219    43.229    0.000    0.000
LGA    H   115_B      H   115_C    43.676     0    0.676   1.251    45.224    0.000    0.000
LGA    N   116_B      N   116_C    45.627     0    0.317   1.145    47.921    0.000    0.000
LGA    S   119_B      S   119_C    49.684     0    0.073   0.660    49.684    0.000    0.000
LGA    P   120_B      P   120_C    50.707     0    0.650   0.654    53.831    0.000    0.000
LGA    T   121_B      T   121_C    49.692     0    0.626   0.934    52.234    0.000    0.000
LGA    F   122_B      F   122_C    46.435     0    0.620   1.201    47.359    0.000    0.000
LGA    D   123_B      D   123_C    49.484     0    0.672   1.005    51.318    0.000    0.000
LGA    F   124_B      F   124_C    54.431     0    0.585   0.734    60.380    0.000    0.000
LGA    F   125_B      F   125_C    54.366     0    0.578   1.481    55.640    0.000    0.000
LGA    L   126_B      L   126_C    52.852     0    0.620   1.102    54.547    0.000    0.000
LGA    D   127_B      D   127_C    56.522     0    0.371   1.014    58.763    0.000    0.000
LGA    F   128_B      F   128_C    61.152     0    0.657   0.716    66.532    0.000    0.000
LGA    L   129_B      L   129_C    60.710     0    0.576   1.328    62.043    0.000    0.000
LGA    W   130_B      W   130_C    60.766     0    0.630   0.503    62.249    0.000    0.000
LGA    W   131_B      W   131_C    64.430     0    0.604   0.737    71.851    0.000    0.000
LGA    Q   132_B      Q   132_C    63.632     0    0.691   0.895    64.585    0.000    0.000
LGA    L   133_B      L   133_C    63.963     0    0.590   0.595    64.072    0.000    0.000
LGA    Y   134_B      Y   134_C    64.999     0    0.674   1.123    69.098    0.000    0.000
LGA    G   135_B      G   135_C    70.784     0    0.749   0.749    71.839    0.000    0.000
LGA    E   136_B      E   136_C    72.421     0    0.039   1.039    75.779    0.000    0.000
LGA    P   137_B      P   137_C    73.637     0    0.557   0.572    74.035    0.000    0.000
LGA    M   138_B      M   138_C    74.262     0    0.670   1.106    76.270    0.000    0.000

# 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):    21.586         21.582                 22.287           18.225   12.278

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  147  127    4.0     36    3.18    26.181    22.826     1.098

LGA_LOCAL      RMSD:   3.179  Number of atoms:   36  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  35.200  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:  21.586  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.224018 * X  +  -0.373254 * Y  +   0.900276 * Z  +  25.727118
  Y_new =  -0.067270 * X  +   0.927472 * Y  +   0.367790 * Z  + -13.338921
  Z_new =  -0.972261 * X  +   0.021831 * Y  +  -0.232880 * Z  +  73.852226 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.849874  1.334709  3.048124   [DEG: -163.2857   76.4732  174.6446 ]
ZXZ:  1.958635  1.805834 -1.548347   [DEG:  112.2215  103.4667  -88.7137 ]
 
# END of job
