
#######################################################
#                                                     #
#                        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  141 ( 1112),  selected  141 , name one
# Molecule2: number of CA atoms  141 ( 1112),  selected  141 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    63      19_A - 81_A        4.96    26.92
  LONGEST_CONTINUOUS_SEGMENT:    63      20_A - 82_A        4.74    27.09
  LCS_AVERAGE:     30.29

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      52_A - 77_A        1.73    27.17
  LCS_AVERAGE:     11.10

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20      57_A - 76_A        1.00    26.44
  LCS_AVERAGE:      6.78

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  141
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     A     1_A     A     1_A      6    7   20      4    5    6    6    6    6    7   15   17   19   20   21   25   45   48   48   51   56   61   64 
LCS_GDT     S     2_A     S     2_A      6    7   20      4    5    6    6    8   11   12   13   16   18   20   22   26   30   32   35   39   41   51   54 
LCS_GDT     R     3_A     R     3_A      6    7   20      3    5    6    6    6    6    8   11   11   15   18   22   26   30   32   35   36   40   43   52 
LCS_GDT     I     4_A     I     4_A      6    7   24      4    5    6    6    6    7    9   12   16   19   23   29   32   36   39   43   47   53   57   59 
LCS_GDT     D     5_A     D     5_A      6    7   24      4    5    6    6    6   11   12   14   16   33   35   39   41   45   48   53   55   56   61   64 
LCS_GDT     E     6_A     E     6_A      6    7   38      3    4    6   11   16   19   25   29   33   36   39   44   46   49   52   54   57   60   62   64 
LCS_GDT     K     7_A     K     7_A      3    7   38      3    6   10   12   16   19   25   28   32   36   38   41   43   46   48   51   53   56   61   64 
LCS_GDT     S     8_A     S     8_A      3    4   38      4    6   10   12   16   19   25   29   34   36   39   43   43   46   49   51   55   57   61   64 
LCS_GDT     S     9_A     S     9_A      3    4   38      3    4    6    8   19   21   26   29   34   36   40   43   45   49   51   53   57   60   62   65 
LCS_GDT     K    10_A     K    10_A      3    4   38      3    6   10   12   17   24   27   31   36   38   42   45   48   52   54   57   58   61   62   65 
LCS_GDT     A    11_A     A    11_A      3    4   38      3    4    7    9   14   20   25   29   34   36   40   43   45   49   51   53   58   59   61   65 
LCS_GDT     K    12_A     K    12_A      3    4   38      3    5   10   12   16   19   25   29   33   36   39   41   43   49   51   52   58   59   61   65 
LCS_GDT     V    13_A     V    13_A      3    4   38      3    4    9   14   21   24   27   31   37   41   46   49   52   55   56   58   59   61   62   65 
LCS_GDT     N    14_A     N    14_A      3    4   38      3    3    6   10   20   22   26   31   36   40   45   48   52   55   56   58   59   61   62   65 
LCS_GDT     D    15_A     D    15_A      4    4   38      2    4    7    9   20   22   24   28   32   36   38   41   43   46   48   52   55   57   59   62 
LCS_GDT     F    16_A     F    16_A      4    4   38      3    4   10   12   16   19   25   29   33   36   41   48   51   55   56   58   59   61   62   65 
LCS_GDT     L    17_A     L    17_A      4    4   38      5   15   21   24   25   26   30   37   42   45   49   52   53   55   57   58   59   61   62   65 
LCS_GDT     A    18_A     A    18_A      4    4   38      3    4    9   11   16   21   23   26   29   32   34   40   43   46   53   55   58   59   61   62 
LCS_GDT     E    19_A     E    19_A      3    4   63      1    5   11   14   20   22   24   26   27   31   37   41   43   46   48   50   53   56   59   61 
LCS_GDT     I    20_A     I    20_A      3   19   63      1    3    6   18   23   26   29   31   36   41   44   48   52   55   56   58   59   61   62   65 
LCS_GDT     F    21_A     F    21_A      4   24   63      1   16   21   24   26   30   37   43   47   51   53   55   57   58   59   60   61   61   62   65 
LCS_GDT     K    22_A     K    22_A     14   24   63      4   16   21   24   25   30   37   43   47   51   53   55   57   58   59   60   61   61   62   65 
LCS_GDT     K    23_A     K    23_A     19   24   63      4   13   18   24   27   33   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     I    24_A     I    24_A     19   24   63      6   15   19   24   27   33   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     G    25_A     G    25_A     19   24   63      3   15   19   24   27   33   39   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     S    26_A     S    26_A     19   24   63      6   15   19   24   26   33   39   43   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     K    27_A     K    27_A     19   24   63      3   15   19   24   26   31   37   39   47   51   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     E    28_A     E    28_A     19   24   63      3   15   19   24   26   31   37   39   47   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     N    29_A     N    29_A     19   24   63      4   12   19   24   27   33   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     T    30_A     T    30_A     19   24   63      6   15   19   24   27   33   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     K    31_A     K    31_A     19   24   63      7   15   19   24   27   33   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     E    32_A     E    32_A     19   24   63      6   15   19   24   27   33   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     G    33_A     G    33_A     19   24   63      7   15   19   24   27   33   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     L    34_A     L    34_A     19   24   63      7   15   19   24   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     A    35_A     A    35_A     19   24   63      7   15   19   26   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     E    36_A     E    36_A     19   24   63      7   15   19   26   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     L    37_A     L    37_A     19   24   63      7   15   19   26   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     Y    38_A     Y    38_A     19   24   63      7   15   19   26   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     E    39_A     E    39_A     19   24   63      7   14   19   26   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     Y    40_A     Y    40_A     19   24   63      7   14   19   26   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     K    41_A     K    41_A     19   24   63      7   15   19   24   26   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     K    42_A     K    42_A     19   24   63      7   14   19   24   26   31   36   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     K    43_A     K    43_A     16   24   63      5    9   15   21   26   31   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     Y    44_A     Y    44_A      0   24   63      1    3    5    9   22   29   35   41   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     S    45_A     S    45_A      3    4   63      0    3    3   11   14   17   19   25   34   38   45   50   56   57   59   60   61   61   62   63 
LCS_GDT     D    46_A     D    46_A      3    4   63      1    3    3    4    5    7   11   16   23   31   36   40   43   50   55   57   61   61   62   63 
LCS_GDT     A    47_A     A    47_A      3    4   63      1    3    3    6    8   14   17   28   32   36   41   47   54   54   58   60   61   61   62   63 
LCS_GDT     D    48_A     D    48_A      5   17   63      0    4    8   11   14   18   26   37   44   50   56   56   56   58   59   60   61   61   62   63 
LCS_GDT     I    49_A     I    49_A      8   17   63      3    9   10   12   14   19   26   40   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     E    50_A     E    50_A      8   17   63      4    9   10   12   14   17   23   33   44   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     P    51_A     P    51_A      8   17   63      4    9   10   12   16   22   34   41   46   53   56   56   57   58   59   60   61   61   62   63 
LCS_GDT     F    52_A     F    52_A      8   26   63      4    9   13   26   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     L    53_A     L    53_A      8   26   63      4    9   15   26   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     K    54_A     K    54_A      8   26   63      4    9   15   26   31   34   39   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     N    55_A     N    55_A      8   26   63      4    9   13   26   31   34   37   42   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     S    56_A     S    56_A      8   26   63      3    9   15   26   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     S    57_A     S    57_A     20   26   63      4    7   20   24   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     Q    58_A     Q    58_A     20   26   63      4   11   21   24   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     F    59_A     F    59_A     20   26   63      4    7   20   24   30   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     F    60_A     F    60_A     20   26   63      4   12   21   24   26   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     Q    61_A     Q    61_A     20   26   63      5   15   21   26   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     S    62_A     S    62_A     20   26   63      6   16   21   26   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     Y    63_A     Y    63_A     20   26   63      6   16   21   26   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     V    64_A     V    64_A     20   26   63      6   16   21   24   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     E    65_A     E    65_A     20   26   63      6   16   21   26   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     R    66_A     R    66_A     20   26   63      6   16   21   26   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     G    67_A     G    67_A     20   26   63      6   16   21   26   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     L    68_A     L    68_A     20   26   63      6   16   21   26   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     R    69_A     R    69_A     20   26   63      4   16   21   24   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     V    70_A     V    70_A     20   26   63      6   16   21   26   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     I    71_A     I    71_A     20   26   63      6   16   21   26   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     E    72_A     E    72_A     20   26   63      6   16   21   26   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     M    73_A     M    73_A     20   26   63      6   16   21   26   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     E    74_A     E    74_A     20   26   63      5   16   21   26   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     R    75_A     R    75_A     20   26   63      4   16   21   26   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     E    76_A     E    76_A     20   26   63      4   13   21   26   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     G    77_A     G    77_A     19   26   63      3    9   17   26   31   34   40   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     K    78_A     K    78_A      4   25   63      3    4    4   21   26   30   39   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     G    79_A     G    79_A      4   25   63      3    4   15   20   26   30   39   45   48   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     R    80_A     R    80_A      3   25   63      2    8   15   20   25   26   33   39   47   53   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     I    81_A     I    81_A      3   25   63      0    0    4    8   11   18   24   35   43   49   56   56   57   58   59   60   61   61   62   65 
LCS_GDT     S    82_A     S    82_A      4    6   63      0    4    4    4    7    8    9   11   12   16   20   21   28   33   47   56   59   60   62   62 
LCS_GDT     T    83_A     T    83_A      4    6   62      3    4    4    4    6    7    9   11   13   15   18   21   25   29   32   36   38   38   44   52 
LCS_GDT     S    84_A     S    84_A      4    6   23      3    4    4    4    7    8    9   11   13   16   18   21   25   29   32   36   38   38   39   41 
LCS_GDT     T    85_A     T    85_A      4    6   18      3    4    4    5    7    8    9   11   13   16   18   21   25   29   32   36   38   38   39   41 
LCS_GDT     G    86_A     G    86_A      4    6   18      1    3    5    5    6    7    8   11   13   16   18   21   25   29   32   36   38   38   39   41 
LCS_GDT     I    87_A     I    87_A      4    6   18      3    3    4    5    6    7    8    8   13   16   18   21   25   29   32   36   38   38   39   41 
LCS_GDT     S    88_A     S    88_A      3    6   18      3    3    5    5    6    7    8    8   12   14   18   20   25   29   32   36   38   38   39   41 
LCS_GDT     P    89_A     P    89_A      4    6   18      3    4    5    5    6    7    9    9   12   13   15   17   21   24   32   36   38   38   39   41 
LCS_GDT     Q    90_A     Q    90_A      4    6   16      3    4    5    5    6    7    9    9   11   12   13   15   18   20   23   24   26   32   39   40 
LCS_GDT     M    91_A     M    91_A      4    6   16      3    4    4    5    5    7    9    9   11   12   13   14   17   19   19   20   21   22   24   25 
LCS_GDT     E    92_A     E    92_A      4    6   16      3    4    4    5    6    7    9    9   11   12   14   15   17   19   19   20   21   22   23   25 
LCS_GDT     V    93_A     V    93_A      3    6   16      1    3    4    5    6    7    9    9   11   12   14   14   17   19   19   20   21   22   23   25 
LCS_GDT     T    94_A     T    94_A      4    6   16      3    4    5    5    6    7    9    9   11   12   14   14   17   19   19   20   21   22   23   26 
LCS_GDT     C    95_A     C    95_A      4    6   16      3    4    5    5    6    7    8    8   11   12   14   14   17   19   19   20   21   22   23   25 
LCS_GDT     V    96_A     V    96_A      4    6   16      3    4    5    5    6    7    9    9   11   12   14   14   16   19   19   20   21   22   23   25 
LCS_GDT     P    97_A     P    97_A      4    6   16      3    4    5    5    6    7    9    9   11   12   14   15   17   20   23   26   28   36   39   41 
LCS_GDT     T    98_A     T    98_A      4    6   16      3    4    5    5    6    7    9    9   12   13   15   20   24   29   32   36   38   38   39   41 
LCS_GDT     P    99_A     P    99_A      4    5   17      3    4    5    5    6    7    9   11   13   16   18   21   25   29   32   36   38   38   39   41 
LCS_GDT     T   100_A     T   100_A      3    5   17      3    3    3    5    6    7    8   11   13   16   18   21   25   29   32   36   38   38   39   41 
LCS_GDT     S   101_A     S   101_A      4    5   17      3    3    4    5    6    7    8   11   13   16   18   21   25   29   31   36   38   38   39   41 
LCS_GDT     T   102_A     T   102_A      4    6   17      3    3    4    5    7    8    9   10   12   15   17   18   21   22   23   26   30   32   36   39 
LCS_GDT     V   103_A     V   103_A      4    6   17      3    3    4    5    5    6    8    8    9   12   16   18   21   22   26   33   38   38   39   41 
LCS_GDT     S   104_A     S   104_A      4    6   17      3    3    4    5    5    7    8    9   12   13   16   21   25   29   32   36   38   38   44   48 
LCS_GDT     S   105_A     S   105_A      4    6   17      3    3    4    5    5    7    9   12   13   17   23   28   32   34   36   49   52   54   57   60 
LCS_GDT     I   106_A     I   106_A      4    6   17      3    3   11   15   17   19   21   23   27   29   35   39   43   46   48   50   52   56   58   61 
LCS_GDT     G   107_A     G   107_A      4    6   28      3    3    4   11   15   17   20   23   27   29   35   39   43   46   48   50   53   56   59   61 
LCS_GDT     N   108_A     N   108_A      3    6   28      3    3    5    8   12   15   17   18   21   24   27   31   42   44   47   50   53   56   59   61 
LCS_GDT     T   109_A     T   109_A      4    8   28      3    4    4    5    6    9   11   13   16   19   25   35   42   44   47   50   53   56   59   61 
LCS_GDT     N   110_A     N   110_A      4    8   28      3    4    5    5    7    9   11   11   13   16   20   21   25   35   45   49   53   56   59   61 
LCS_GDT     G   111_A     G   111_A      4    8   28      3    4    5    5    7    9   11   11   13   16   20   21   25   29   45   49   53   56   59   61 
LCS_GDT     E   112_A     E   112_A      4    8   28      3    4    4    5    7    9   11   13   16   20   27   35   42   44   48   50   53   56   59   61 
LCS_GDT     E   113_A     E   113_A      3    8   28      3    3    5   10   15   18   22   28   32   36   38   41   43   46   48   50   53   56   59   61 
LCS_GDT     V   114_A     V   114_A      3   20   28      2    3    9   12   17   21   24   28   32   36   38   41   43   46   48   50   52   56   59   61 
LCS_GDT     G   115_A     G   115_A      6   20   28      2   10   12   15   20   22   25   28   32   36   38   41   43   46   48   49   52   55   59   61 
LCS_GDT     P   116_A     P   116_A      6   20   28      3    7    9   14   20   22   25   28   32   36   38   41   43   46   48   50   53   56   59   61 
LCS_GDT     S   117_A     S   117_A      6   20   28      4    7   10   15   20   22   25   28   32   36   38   41   43   46   48   50   53   56   59   61 
LCS_GDT     V   118_A     V   118_A      6   20   28      3    7    9   13   20   22   25   28   32   36   38   41   43   46   48   50   52   56   59   61 
LCS_GDT     Y   119_A     Y   119_A      9   20   28      3    7    9   14   20   22   25   28   32   36   38   41   43   46   48   50   53   56   59   61 
LCS_GDT     L   120_A     L   120_A     12   20   28      4    8   12   15   20   22   25   28   32   36   38   41   43   46   48   50   53   56   59   61 
LCS_GDT     E   121_A     E   121_A     12   20   28      4   10   12   15   20   22   25   28   32   36   38   41   43   46   48   50   53   56   59   61 
LCS_GDT     R   122_A     R   122_A     12   20   28      4   10   12   15   20   22   25   28   32   36   38   41   43   46   48   50   53   56   59   61 
LCS_GDT     L   123_A     L   123_A     12   20   28      5   10   12   15   20   22   25   28   32   36   38   41   43   46   48   50   53   56   59   61 
LCS_GDT     K   124_A     K   124_A     12   20   28      5   10   12   15   20   22   25   28   32   36   38   41   43   46   48   50   53   56   59   61 
LCS_GDT     I   125_A     I   125_A     12   20   28      5   10   12   15   20   22   24   28   32   36   38   41   43   46   48   50   53   56   59   61 
LCS_GDT     L   126_A     L   126_A     12   20   28      5    8   12   15   18   21   24   26   27   29   35   41   43   46   48   50   53   56   59   61 
LCS_GDT     R   127_A     R   127_A     12   20   28      5    8   12   15   19   22   24   28   32   36   38   41   43   46   48   50   53   56   59   61 
LCS_GDT     Q   128_A     Q   128_A     12   20   28      4   10   12   15   20   22   25   28   32   36   38   41   43   46   48   50   53   56   59   61 
LCS_GDT     R   129_A     R   129_A     12   20   28      4   10   12   15   19   22   24   26   27   31   35   41   43   46   48   50   53   56   59   61 
LCS_GDT     C   130_A     C   130_A     12   20   28      4   10   12   15   20   22   24   26   32   36   38   41   43   46   48   50   53   56   59   61 
LCS_GDT     G   131_A     G   131_A     12   20   28      4    9   12   15   20   22   25   28   32   36   38   41   43   46   48   50   53   56   59   61 
LCS_GDT     L   132_A     L   132_A      4   20   28      3    4   11   14   20   22   25   28   32   36   38   41   43   46   48   50   53   56   59   61 
LCS_GDT     D   133_A     D   133_A      4   20   28      4   10   12   15   18   21   25   28   32   36   38   41   43   46   48   50   53   56   59   61 
LCS_GDT     N   134_A     N   134_A      4   20   28      3    4    6   12   18   21   25   28   32   36   38   41   43   46   48   50   53   56   59   61 
LCS_GDT     T   135_A     T   135_A      4    8   26      3    4    5    6    8   13   21   27   30   36   38   41   43   46   48   50   53   56   59   61 
LCS_GDT     K   136_A     K   136_A      4    8   26      3    4    5    6    8    8   11   12   14   21   35   39   43   46   48   50   53   56   59   61 
LCS_GDT     Q   137_A     Q   137_A      4    8   26      0    3    4    6    8    8    8    9   10   12   16   19   22   28   32   48   53   56   59   61 
LCS_GDT     D   138_A     D   138_A      4    4   19      3    3    4    6    6    7    7    9   10   12   13   14   15   24   27   28   30   37   40   42 
LCS_GDT     D   139_A     D   139_A      4    4   17      3    3    4    4    4    5    6    8   10   12   13   14   15   18   20   20   20   23   34   38 
LCS_GDT     R   140_A     R   140_A      3    4   17      3    3    3    4    4    5    6    8   10   12   13   14   15   18   20   20   20   23   25   28 
LCS_GDT     P   141_A     P   141_A      3    3   17      3    3    3    3    3    4    4    6    8   12   13   14   15   18   20   21   22   30   34   38 
LCS_AVERAGE  LCS_A:  16.05  (   6.78   11.10   30.29 )

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      7     16     21     26     31     34     40     45     48     53     56     56     57     58     59     60     61     61     62     65 
GDT PERCENT_AT   4.96  11.35  14.89  18.44  21.99  24.11  28.37  31.91  34.04  37.59  39.72  39.72  40.43  41.13  41.84  42.55  43.26  43.26  43.97  46.10
GDT RMS_LOCAL    0.28   0.65   0.89   1.45   1.64   1.79   2.30   2.61   2.82   3.28   3.54   3.54   3.57   3.69   3.88   4.10   4.29   4.29   4.56   5.21
GDT RMS_ALL_AT  25.00  26.26  26.34  27.39  27.25  27.25  26.70  26.72  26.79  26.95  26.99  26.99  26.80  26.89  26.96  27.06  27.12  27.12  26.17  25.85

# Checking swapping
#   possible swapping detected:  D     5_A      D     5_A
#   possible swapping detected:  D    15_A      D    15_A
#   possible swapping detected:  F    16_A      F    16_A
#   possible swapping detected:  E    36_A      E    36_A
#   possible swapping detected:  Y    38_A      Y    38_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  Y    40_A      Y    40_A
#   possible swapping detected:  Y    44_A      Y    44_A
#   possible swapping detected:  D    48_A      D    48_A
#   possible swapping detected:  F    52_A      F    52_A
#   possible swapping detected:  F    59_A      F    59_A
#   possible swapping detected:  F    60_A      F    60_A
#   possible swapping detected:  Y    63_A      Y    63_A
#   possible swapping detected:  E    92_A      E    92_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  E   113_A      E   113_A
#   possible swapping detected:  Y   119_A      Y   119_A
#   possible swapping detected:  D   138_A      D   138_A
#   possible swapping detected:  D   139_A      D   139_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     1_A      A     1_A    19.297     0    0.046   0.070    23.844    0.000    0.000
LGA    S     2_A      S     2_A    24.496     0    0.072   0.648    26.528    0.000    0.000
LGA    R     3_A      R     3_A    27.360     0    0.087   1.622    37.024    0.000    0.000
LGA    I     4_A      I     4_A    25.286     0    0.559   1.243    31.607    0.000    0.000
LGA    D     5_A      D     5_A    18.388     0    0.300   1.389    20.874    0.000    0.000
LGA    E     6_A      E     6_A    15.536     0    0.317   1.007    16.697    0.000    0.000
LGA    K     7_A      K     7_A    20.096     0    0.477   1.664    28.250    0.000    0.000
LGA    S     8_A      S     8_A    19.413     0    0.405   0.678    19.413    0.000    0.000
LGA    S     9_A      S     9_A    15.490     0    0.309   0.417    16.723    0.000    0.000
LGA    K    10_A      K    10_A    12.987     0    0.351   0.917    15.470    0.000    0.000
LGA    A    11_A      A    11_A    16.818     0    0.262   0.257    19.124    0.000    0.000
LGA    K    12_A      K    12_A    16.531     0    0.352   0.890    22.051    0.000    0.000
LGA    V    13_A      V    13_A    10.787     0    0.259   0.600    12.887    0.119    1.565
LGA    N    14_A      N    14_A    11.993     0    0.339   0.960    13.496    0.000    0.417
LGA    D    15_A      D    15_A    17.422     0    0.355   0.567    23.582    0.000    0.000
LGA    F    16_A      F    16_A    12.381     0    0.128   1.646    14.204    0.000    0.000
LGA    L    17_A      L    17_A     8.344     0    0.126   0.648    11.164    1.310   24.405
LGA    A    18_A      A    18_A    14.606     0    0.587   0.562    16.588    0.000    0.000
LGA    E    19_A      E    19_A    16.151     0    0.192   1.022    22.592    0.000    0.000
LGA    I    20_A      I    20_A     9.542     0    0.456   0.944    11.709    3.095    3.095
LGA    F    21_A      F    21_A     5.767     0    0.462   1.389     6.816   19.405   35.714
LGA    K    22_A      K    22_A     5.943     0    0.190   0.618     8.098   22.619   17.407
LGA    K    23_A      K    23_A     3.496     0    0.163   0.576     4.123   45.119   60.741
LGA    I    24_A      I    24_A     3.402     0    0.051   1.064     4.770   46.667   48.869
LGA    G    25_A      G    25_A     3.947     0    0.537   0.537     6.722   30.000   30.000
LGA    S    26_A      S    26_A     4.697     0    0.186   0.289     4.881   34.286   34.286
LGA    K    27_A      K    27_A     6.017     0    0.184   1.275    12.882   20.357   10.476
LGA    E    28_A      E    28_A     5.619     0    0.122   0.658     8.477   25.119   16.772
LGA    N    29_A      N    29_A     2.885     0    0.162   1.188     6.549   57.619   48.631
LGA    T    30_A      T    30_A     3.389     0    0.075   1.348     6.655   51.786   46.054
LGA    K    31_A      K    31_A     3.210     0    0.053   1.535    11.761   55.476   32.434
LGA    E    32_A      E    32_A     2.628     0    0.037   0.994     6.035   60.952   48.095
LGA    G    33_A      G    33_A     2.355     0    0.020   0.020     2.497   68.810   68.810
LGA    L    34_A      L    34_A     1.449     0    0.025   0.416     1.852   83.810   82.619
LGA    A    35_A      A    35_A     0.941     0    0.042   0.042     1.525   88.214   85.143
LGA    E    36_A      E    36_A     1.048     0    0.042   0.693     5.188   88.333   64.074
LGA    L    37_A      L    37_A     1.072     0    0.057   0.923     3.976   85.952   72.083
LGA    Y    38_A      Y    38_A     1.203     0    0.066   0.806     8.952   79.524   47.897
LGA    E    39_A      E    39_A     1.573     0    0.132   0.660     3.312   75.119   66.085
LGA    Y    40_A      Y    40_A     0.567     0    0.054   0.908     4.120   85.952   72.103
LGA    K    41_A      K    41_A     2.700     0    0.036   1.085     3.624   55.833   55.926
LGA    K    42_A      K    42_A     3.559     0    0.087   1.182     9.486   46.786   32.698
LGA    K    43_A      K    43_A     3.290     0    0.278   1.399     4.457   43.571   44.286
LGA    Y    44_A      Y    44_A     6.628     0    0.510   1.125     9.518   11.190   16.984
LGA    S    45_A      S    45_A    11.593     0    0.462   0.927    14.192    0.357    0.238
LGA    D    46_A      D    46_A    13.244     0    0.440   0.795    18.648    0.000    0.000
LGA    A    47_A      A    47_A    13.118     0    0.228   0.249    14.916    0.000    0.000
LGA    D    48_A      D    48_A     8.724     0    0.434   0.803    10.144    5.714    3.988
LGA    I    49_A      I    49_A     5.911     0    0.249   1.089     7.996   21.905   20.119
LGA    E    50_A      E    50_A     6.909     0    0.100   1.347     8.076   13.452   15.132
LGA    P    51_A      P    51_A     7.228     0    0.130   0.148     8.432   13.571   10.476
LGA    F    52_A      F    52_A     3.447     0    0.127   0.745     4.760   47.143   55.108
LGA    L    53_A      L    53_A     2.217     0    0.150   0.586     3.847   64.881   61.190
LGA    K    54_A      K    54_A     3.727     0    0.087   0.628     5.255   41.905   38.095
LGA    N    55_A      N    55_A     4.629     0    0.052   1.049     8.581   32.976   23.690
LGA    S    56_A      S    56_A     3.462     0    0.334   0.747     3.970   48.333   50.079
LGA    S    57_A      S    57_A     2.254     0    0.215   0.703     3.405   64.762   65.079
LGA    Q    58_A      Q    58_A     2.328     0    0.059   1.240     8.034   64.762   43.386
LGA    F    59_A      F    59_A     3.470     0    0.076   1.344     3.795   50.119   63.766
LGA    F    60_A      F    60_A     3.174     0    0.199   1.254     6.738   57.381   41.991
LGA    Q    61_A      Q    61_A     0.975     0    0.105   0.646     3.908   86.071   75.926
LGA    S    62_A      S    62_A     1.178     0    0.059   0.729     4.427   81.429   72.619
LGA    Y    63_A      Y    63_A     1.590     0    0.035   0.587     2.291   79.286   75.079
LGA    V    64_A      V    64_A     1.677     0    0.065   1.047     3.399   77.143   72.109
LGA    E    65_A      E    65_A     2.099     0    0.110   1.042     8.821   72.976   44.074
LGA    R    66_A      R    66_A     1.863     0    0.083   1.950    10.241   77.143   45.368
LGA    G    67_A      G    67_A     1.046     0    0.103   0.103     1.046   88.214   88.214
LGA    L    68_A      L    68_A     1.978     0    0.081   0.845     3.791   69.048   64.226
LGA    R    69_A      R    69_A     2.579     0    0.065   1.067     7.815   66.905   37.056
LGA    V    70_A      V    70_A     0.589     0    0.059   1.415     3.826   88.214   76.667
LGA    I    71_A      I    71_A     1.831     0    0.040   1.070     6.458   72.976   56.071
LGA    E    72_A      E    72_A     2.530     0    0.057   1.009     3.090   57.262   68.095
LGA    M    73_A      M    73_A     1.731     0    0.076   0.973     4.237   72.857   70.893
LGA    E    74_A      E    74_A     2.169     0    0.117   0.827     5.121   64.881   50.053
LGA    R    75_A      R    75_A     2.805     0    0.140   1.070     5.406   53.690   44.762
LGA    E    76_A      E    76_A     2.480     0    0.120   0.854     5.148   62.857   54.762
LGA    G    77_A      G    77_A     2.975     0    0.358   0.358     2.975   63.214   63.214
LGA    K    78_A      K    78_A     4.637     0    0.519   0.889    12.258   40.476   20.000
LGA    G    79_A      G    79_A     4.544     0    0.059   0.059     5.323   30.238   30.238
LGA    R    80_A      R    80_A     6.232     0    0.337   1.513    16.388   15.952    8.182
LGA    I    81_A      I    81_A     7.539     0    0.490   1.479    10.325    5.238    9.286
LGA    S    82_A      S    82_A    14.324     0    0.266   0.412    16.022    0.000    0.000
LGA    T    83_A      T    83_A    18.609     0    0.518   1.358    22.892    0.000    0.000
LGA    S    84_A      S    84_A    23.583     0    0.284   0.616    24.610    0.000    0.000
LGA    T    85_A      T    85_A    26.106     0    0.198   0.350    27.294    0.000    0.000
LGA    G    86_A      G    86_A    24.948     0    0.238   0.238    25.465    0.000    0.000
LGA    I    87_A      I    87_A    23.358     0    0.257   0.284    24.983    0.000    0.000
LGA    S    88_A      S    88_A    23.892     0    0.245   0.778    25.907    0.000    0.000
LGA    P    89_A      P    89_A    21.856     0    0.427   0.474    25.172    0.000    0.000
LGA    Q    90_A      Q    90_A    26.900     0    0.261   0.877    30.396    0.000    0.000
LGA    M    91_A      M    91_A    30.632     0    0.630   1.051    35.096    0.000    0.000
LGA    E    92_A      E    92_A    34.530     0    0.570   1.181    36.535    0.000    0.000
LGA    V    93_A      V    93_A    38.669     0    0.387   1.167    40.659    0.000    0.000
LGA    T    94_A      T    94_A    39.724     0    0.303   0.497    39.724    0.000    0.000
LGA    C    95_A      C    95_A    40.058     0    0.334   0.933    44.128    0.000    0.000
LGA    V    96_A      V    96_A    40.479     0    0.255   0.629    43.784    0.000    0.000
LGA    P    97_A      P    97_A    38.124     0    0.232   0.434    39.733    0.000    0.000
LGA    T    98_A      T    98_A    37.708     0    0.219   0.309    39.072    0.000    0.000
LGA    P    99_A      P    99_A    36.434     0    0.532   0.602    39.315    0.000    0.000
LGA    T   100_A      T   100_A    37.797     0    0.592   0.881    38.112    0.000    0.000
LGA    S   101_A      S   101_A    37.118     0    0.592   0.549    37.245    0.000    0.000
LGA    T   102_A      T   102_A    34.902     0    0.282   1.181    37.814    0.000    0.000
LGA    V   103_A      V   103_A    34.585     0    0.482   0.504    37.147    0.000    0.000
LGA    S   104_A      S   104_A    35.469     0    0.281   0.590    37.024    0.000    0.000
LGA    S   105_A      S   105_A    36.484     0    0.225   0.786    39.110    0.000    0.000
LGA    I   106_A      I   106_A    40.782     0    0.288   0.523    43.750    0.000    0.000
LGA    G   107_A      G   107_A    42.573     0    0.312   0.312    43.962    0.000    0.000
LGA    N   108_A      N   108_A    43.517     0    0.241   0.661    44.007    0.000    0.000
LGA    T   109_A      T   109_A    44.689     0    0.539   0.721    48.663    0.000    0.000
LGA    N   110_A      N   110_A    48.331     0    0.273   0.698    51.956    0.000    0.000
LGA    G   111_A      G   111_A    46.180     0    0.241   0.241    46.945    0.000    0.000
LGA    E   112_A      E   112_A    41.846     0    0.374   0.882    43.403    0.000    0.000
LGA    E   113_A      E   113_A    41.314     0    0.623   0.957    48.680    0.000    0.000
LGA    V   114_A      V   114_A    37.213     0    0.260   1.223    38.463    0.000    0.000
LGA    G   115_A      G   115_A    35.231     0    0.482   0.482    36.094    0.000    0.000
LGA    P   116_A      P   116_A    33.265     0    0.139   0.159    36.170    0.000    0.000
LGA    S   117_A      S   117_A    35.659     0    0.122   0.128    40.032    0.000    0.000
LGA    V   118_A      V   118_A    30.987     0    0.135   1.026    32.721    0.000    0.000
LGA    Y   119_A      Y   119_A    26.517     0    0.051   1.004    28.282    0.000    0.000
LGA    L   120_A      L   120_A    31.330     0    0.130   0.716    36.785    0.000    0.000
LGA    E   121_A      E   121_A    30.895     0    0.059   1.190    34.588    0.000    0.000
LGA    R   122_A      R   122_A    25.144     0    0.039   1.423    29.196    0.000    0.000
LGA    L   123_A      L   123_A    26.839     0    0.041   0.998    28.961    0.000    0.000
LGA    K   124_A      K   124_A    31.682     0    0.092   1.139    40.601    0.000    0.000
LGA    I   125_A      I   125_A    29.452     0    0.046   1.169    30.206    0.000    0.000
LGA    L   126_A      L   126_A    27.772     0    0.042   1.138    30.566    0.000    0.000
LGA    R   127_A      R   127_A    32.234     0    0.179   1.542    35.461    0.000    0.000
LGA    Q   128_A      Q   128_A    35.291     0    0.095   1.063    39.113    0.000    0.000
LGA    R   129_A      R   129_A    32.864     0    0.045   1.558    35.844    0.000    0.000
LGA    C   130_A      C   130_A    34.006     0    0.185   0.407    37.868    0.000    0.000
LGA    G   131_A      G   131_A    39.285     0    0.652   0.652    41.783    0.000    0.000
LGA    L   132_A      L   132_A    42.650     0    0.066   0.664    44.909    0.000    0.000
LGA    D   133_A      D   133_A    44.014     0    0.640   1.436    46.233    0.000    0.000
LGA    N   134_A      N   134_A    50.781     0    0.061   1.056    54.925    0.000    0.000
LGA    T   135_A      T   135_A    52.644     0    0.189   0.420    56.193    0.000    0.000
LGA    K   136_A      K   136_A    58.676     0    0.595   0.777    61.269    0.000    0.000
LGA    Q   137_A      Q   137_A    61.769     0    0.163   0.692    64.433    0.000    0.000
LGA    D   138_A      D   138_A    65.407     0    0.564   1.201    66.474    0.000    0.000
LGA    D   139_A      D   139_A    69.030     0    0.265   1.305    73.324    0.000    0.000
LGA    R   140_A      R   140_A    68.750     0    0.164   0.934    73.144    0.000    0.000
LGA    P   141_A      P   141_A    63.584     0    0.214   0.506    64.373    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      141     564    564  100.00    1112   1112  100.00               141
SUMMARY(RMSD_GDC):    17.678         17.625                 18.036           22.272   19.765

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     45    2.61    26.064    23.680     1.658

LGA_LOCAL      RMSD:   2.614  Number of atoms:   45  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  26.721  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  17.678  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.336066 * X  +   0.401457 * Y  +   0.851993 * Z  +  -3.962466
  Y_new =  -0.159943 * X  +  -0.867140 * Y  +   0.471684 * Z  +  -4.046569
  Z_new =   0.928158 * X  +  -0.294787 * Y  +  -0.227206 * Z  +   0.158009 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.444206 -1.189434 -2.227442   [DEG:  -25.4511  -68.1495 -127.6230 ]
ZXZ:  2.076418  1.800004  1.878325   [DEG:  118.9700  103.1326  107.6201 ]
 
# END of job
