
#######################################################
#                                                     #
#                        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  158 ( 1268),  selected  157 , name one
# Molecule2: number of CA atoms  157 ( 1259),  selected  157 , 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:    52      20_A - 71_A        4.96    25.86
  LCS_AVERAGE:     25.09

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28      46_A - 73_A        1.98    21.44
  LONGEST_CONTINUOUS_SEGMENT:    28      47_A - 74_A        1.92    21.04
  LCS_AVERAGE:     11.95

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18      54_A - 71_A        0.93    20.91
  LONGEST_CONTINUOUS_SEGMENT:    18      55_A - 72_A        0.92    21.09
  LCS_AVERAGE:      8.28

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  157
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     L     1_A     L     1_A      3   12   38      3    5    8   11   15   19   23   27   29   31   32   34   38   39   41   43   46   49   56   61 
LCS_GDT     S     2_A     S     2_A     10   12   38      7   10   10   10   14   20   22   26   28   31   32   34   38   41   46   47   52   53   59   62 
LCS_GDT     D     3_A     D     3_A     10   12   38      7   10   13   15   18   20   23   27   29   31   32   34   40   43   46   49   52   55   59   62 
LCS_GDT     R     4_A     R     4_A     10   12   38      7   10   10   10   11   19   22   24   27   28   32   34   38   41   46   47   52   53   59   62 
LCS_GDT     E     5_A     E     5_A     10   12   38      7   10   10   10   14   19   22   24   27   31   32   34   38   39   45   46   49   52   58   62 
LCS_GDT     L     6_A     L     6_A     10   12   38      7   10   10   12   16   19   23   27   29   31   32   34   38   41   46   47   52   53   59   62 
LCS_GDT     E     7_A     E     7_A     10   12   38      7   10   10   11   15   19   23   27   29   31   32   34   38   40   45   46   49   52   58   62 
LCS_GDT     A     8_A     A     8_A     10   12   38      7   10   10   11   14   19   23   27   29   31   32   34   38   39   41   43   46   49   54   61 
LCS_GDT     S     9_A     S     9_A     10   18   38      7   10   10   10   13   16   22   26   29   31   32   34   38   39   41   43   46   48   54   61 
LCS_GDT     L    10_A     L    10_A     16   18   38     10   14   16   17   17   18   20   27   29   31   32   34   38   39   45   46   46   49   55   61 
LCS_GDT     Q    11_A     Q    11_A     16   18   38     10   14   16   17   17   19   23   27   29   31   32   34   38   39   41   43   46   48   52   59 
LCS_GDT     A    12_A     A    12_A     16   18   38     10   14   16   17   17   19   23   27   29   31   32   34   38   39   41   43   46   47   52   54 
LCS_GDT     F    13_A     F    13_A     16   18   38     10   14   16   17   17   19   23   27   29   31   32   34   38   39   42   46   46   49   55   61 
LCS_GDT     F    14_A     F    14_A     16   18   38     10   14   16   17   17   19   23   27   29   31   32   34   38   40   46   47   52   54   59   62 
LCS_GDT     E    15_A     E    15_A     16   18   38     10   14   16   17   17   19   23   27   29   31   32   34   38   39   41   43   46   48   52   59 
LCS_GDT     V    16_A     V    16_A     16   18   38     10   14   16   17   17   19   23   27   29   31   32   34   38   39   41   43   46   48   52   59 
LCS_GDT     H    17_A     H    17_A     16   18   49     10   14   16   17   17   19   23   27   29   31   36   41   46   49   52   54   55   56   59   62 
LCS_GDT     T    18_A     T    18_A     16   18   49     10   14   16   17   17   19   23   27   29   31   32   36   41   46   49   52   55   56   59   62 
LCS_GDT     R    19_A     R    19_A     16   18   50      9   14   16   17   17   19   23   27   29   31   32   35   39   43   46   48   51   54   56   60 
LCS_GDT     L    20_A     L    20_A     16   18   52      8   14   16   17   17   19   23   27   29   31   36   41   45   49   52   54   55   56   59   62 
LCS_GDT     V    21_A     V    21_A     16   18   52     10   14   16   17   17   19   23   27   29   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     H    22_A     H    22_A     16   18   52      6   14   16   17   17   18   23   27   29   31   35   41   45   49   51   54   55   56   59   62 
LCS_GDT     R    23_A     R    23_A     16   18   52      7   14   16   17   17   18   23   27   29   31   36   41   46   49   52   54   55   56   59   62 
LCS_GDT     L    24_A     L    24_A     16   18   52      4   14   16   17   17   18   23   27   30   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     A    25_A     A    25_A     16   18   52      4   13   16   17   17   20   22   27   29   31   33   40   46   49   52   54   55   56   59   62 
LCS_GDT     G    26_A     G    26_A     16   18   52      4    7   11   17   17   18   21   25   28   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     I    27_A     I    27_A      5    7   52      3    5    6    8   14   20   22   25   28   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     E    28_A     E    28_A      5   20   52      3    5   11   16   17   20   22   25   28   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     P    29_A     P    29_A      5   20   52      3    4    6   11   17   20   22   25   28   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     D    30_A     D    30_A     17   20   52      5   13   16   18   18   19   22   25   28   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     P    31_A     P    31_A     17   20   52      7   13   17   18   18   20   22   25   28   31   36   41   46   49   52   54   55   56   59   62 
LCS_GDT     R    32_A     R    32_A     17   20   52      5   13   17   18   18   20   22   24   26   27   32   37   44   47   51   54   55   56   59   62 
LCS_GDT     F    33_A     F    33_A     17   20   52      7   13   17   18   18   20   22   24   28   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     E    34_A     E    34_A     17   20   52      7   13   17   18   18   20   22   25   30   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     I    35_A     I    35_A     17   20   52      6   13   17   18   18   20   22   25   28   31   36   41   46   49   52   54   55   56   59   62 
LCS_GDT     L    36_A     L    36_A     17   20   52      7   13   17   18   18   20   22   25   28   31   34   41   46   49   52   54   55   56   59   62 
LCS_GDT     D    37_A     D    37_A     17   20   52      6   13   17   18   18   25   29   30   32   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     K    38_A     K    38_A     17   20   52      7   13   17   18   18   20   22   27   31   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     Y    39_A     Y    39_A     17   20   52      9   13   17   18   18   20   22   25   28   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     I    40_A     I    40_A     17   20   52      9   13   17   18   18   20   23   27   29   33   35   41   46   49   52   54   55   56   59   62 
LCS_GDT     F    41_A     F    41_A     17   20   52      9   13   17   18   23   26   29   30   32   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     R    42_A     R    42_A     17   20   52      9   12   17   18   18   21   29   30   32   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     Q    43_A     Q    43_A     17   20   52      9   12   17   18   18   25   29   30   32   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     I    44_A     I    44_A     17   20   52      9   13   17   23   26   27   29   30   32   33   35   37   41   47   51   54   55   56   59   62 
LCS_GDT     V    45_A     V    45_A     17   20   52      9   12   17   18   18   20   22   27   29   31   33   37   41   49   52   54   55   56   59   62 
LCS_GDT     A    46_A     A    46_A     17   28   52      9   12   17   18   18   25   29   30   32   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     D    47_A     D    47_A     17   28   52      9   13   20   23   26   27   29   30   32   33   35   41   46   49   52   54   55   56   59   62 
LCS_GDT     N    48_A     N    48_A      6   28   52      5    7   20   23   26   27   29   30   32   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     P    49_A     P    49_A      6   28   52      5   15   20   23   26   27   29   30   32   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     E    50_A     E    50_A      6   28   52      5    6    6    8   26   27   29   30   32   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     E    51_A     E    51_A     14   28   52      5   11   18   21   26   27   29   30   32   33   35   38   46   49   52   54   55   56   59   62 
LCS_GDT     R    52_A     R    52_A     14   28   52      5   10   14   19   24   27   29   30   32   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     E    53_A     E    53_A     16   28   52      5   10   14   21   26   27   29   30   32   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     K    54_A     K    54_A     18   28   52      5   14   20   23   26   27   29   30   32   33   35   41   46   49   52   54   55   56   59   62 
LCS_GDT     I    55_A     I    55_A     18   28   52      5   15   20   23   26   27   29   30   32   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     R    56_A     R    56_A     18   28   52      8   15   20   23   26   27   29   30   32   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     L    57_A     L    57_A     18   28   52      5   15   20   23   26   27   29   30   32   33   36   41   46   49   52   54   55   56   58   62 
LCS_GDT     D    58_A     D    58_A     18   28   52      9   15   20   23   26   27   29   30   32   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     Y    59_A     Y    59_A     18   28   52      9   15   20   23   26   27   29   30   32   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     G    60_A     G    60_A     18   28   52      9   15   20   23   26   27   29   30   32   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     R    61_A     R    61_A     18   28   52      9   15   20   23   26   27   29   30   32   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     A    62_A     A    62_A     18   28   52      9   15   20   23   26   27   29   30   32   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     A    63_A     A    63_A     18   28   52      9   15   20   23   26   27   29   30   32   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     E    64_A     E    64_A     18   28   52      9   15   20   23   26   27   29   30   32   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     I    65_A     I    65_A     18   28   52      9   15   20   23   26   27   29   30   32   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     F    66_A     F    66_A     18   28   52      9   15   20   23   26   27   29   30   32   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     R    67_A     R    67_A     18   28   52      8   15   20   23   26   27   29   30   32   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     D    68_A     D    68_A     18   28   52      6   15   20   23   26   27   29   30   32   33   37   41   46   49   52   54   55   56   59   62 
LCS_GDT     A    69_A     A    69_A     18   28   52      7   15   20   23   26   27   29   30   32   33   37   40   45   49   52   54   55   56   59   62 
LCS_GDT     L    70_A     L    70_A     18   28   52      7   14   20   23   26   27   29   30   32   33   37   40   46   49   52   54   55   56   59   62 
LCS_GDT     A    71_A     A    71_A     18   28   52      3   14   18   23   26   27   29   30   32   33   37   40   46   49   52   54   55   56   59   62 
LCS_GDT     R    72_A     R    72_A     18   28   50      3   14   17   23   26   27   29   30   32   33   35   38   44   48   52   54   55   56   59   62 
LCS_GDT     D    73_A     D    73_A     11   28   46      3    4    9   15   18   26   29   30   32   33   35   37   44   47   52   53   55   56   59   62 
LCS_GDT     I    74_A     I    74_A      9   28   45      3    6    9   12   16   19   25   30   32   33   35   37   38   42   47   52   54   56   59   62 
LCS_GDT     T    75_A     T    75_A      7   20   44      3    5    8    9   11   14   16   20   22   29   32   36   36   39   41   43   48   52   58   61 
LCS_GDT     T    76_A     T    76_A     12   14   44      8   12   12   12   12   14   16   20   22   26   29   33   35   39   40   42   45   46   53   61 
LCS_GDT     P    77_A     P    77_A     12   14   42      8   12   12   12   12   14   16   20   22   29   32   34   35   39   40   42   45   46   52   59 
LCS_GDT     E    78_A     E    78_A     12   14   40      8   12   12   12   12   14   16   20   22   29   32   34   35   39   40   42   45   45   48   50 
LCS_GDT     A    79_A     A    79_A     12   14   37      8   12   12   12   12   14   16   20   22   29   32   34   35   39   40   42   45   45   48   50 
LCS_GDT     F    80_A     F    80_A     12   14   36      8   12   12   12   12   14   16   20   22   29   32   34   35   39   40   42   45   49   58   61 
LCS_GDT     N    81_A     N    81_A     12   14   36      8   12   12   12   12   14   16   20   22   29   32   34   35   39   40   42   45   46   48   52 
LCS_GDT     A    82_A     A    82_A     12   14   36      8   12   12   12   12   14   16   20   22   29   32   34   35   39   40   42   45   45   48   50 
LCS_GDT     Y    83_A     Y    83_A     12   14   36      8   12   12   12   12   14   16   20   22   29   32   34   35   39   40   42   45   45   48   50 
LCS_GDT     L    84_A     L    84_A     12   14   36      8   12   12   12   12   14   16   20   22   29   32   34   35   39   40   42   45   49   54   61 
LCS_GDT     E    85_A     E    85_A     12   14   36      8   12   12   12   12   14   16   20   22   29   32   34   35   39   40   42   45   45   48   50 
LCS_GDT     A    86_A     A    86_A     12   14   36      8   12   12   12   12   14   16   20   22   27   32   34   35   39   40   42   45   45   48   50 
LCS_GDT     L    87_A     L    87_A     12   14   36      8   12   12   12   12   13   16   20   21   25   27   31   35   39   39   41   45   45   48   59 
LCS_GDT     G    88_A     G    88_A      5   14   36      3    4    5    9   12   14   16   20   22   26   32   34   35   39   40   42   45   45   48   50 
LCS_GDT     P    89_A     P    89_A      5    7   36      3    4    5    6    8   10   15   18   22   29   32   34   35   39   40   42   45   47   53   62 
LCS_GDT     D    90_A     D    90_A      5   17   36      3   10   10   10   11   16   17   22   25   29   32   34   35   39   44   48   52   56   59   62 
LCS_GDT     A    91_A     A    91_A     14   17   36      4   12   15   16   17   18   19   22   25   29   32   34   35   39   43   48   52   55   59   62 
LCS_GDT     V    92_A     V    92_A     14   17   36      4   12   15   16   17   18   19   22   25   27   32   34   35   39   40   44   48   52   58   62 
LCS_GDT     R    93_A     R    93_A     14   17   36      6   12   15   16   17   20   22   24   26   29   32   34   35   39   40   44   48   52   58   62 
LCS_GDT     T    94_A     T    94_A     14   17   36      6   12   15   16   17   20   22   25   27   29   32   34   35   39   41   45   51   54   59   62 
LCS_GDT     V    95_A     V    95_A     14   17   36      6   12   15   16   17   19   20   24   26   29   32   34   35   39   40   44   48   52   58   61 
LCS_GDT     Q    96_A     Q    96_A     14   17   36      6   12   15   16   17   18   19   22   25   29   32   34   35   39   40   42   45   47   53   61 
LCS_GDT     D    97_A     D    97_A     14   17   36      6   12   15   16   17   18   19   22   25   27   29   34   35   37   40   42   45   47   51   61 
LCS_GDT     L    98_A     L    98_A     14   17   36      6   12   15   16   17   18   19   22   25   27   29   31   35   37   39   42   45   47   52   61 
LCS_GDT     T    99_A     T    99_A     14   17   36      6   12   15   16   17   18   19   22   25   29   31   34   35   39   40   42   45   47   51   56 
LCS_GDT     R   100_A     R   100_A     14   17   30      5   12   15   16   17   18   19   22   25   27   29   32   35   37   39   41   44   47   51   53 
LCS_GDT     R   101_A     R   101_A     14   17   30      5   12   15   16   17   18   19   22   25   27   29   31   33   36   38   40   44   47   51   53 
LCS_GDT     F   102_A     F   102_A     14   17   30      6   12   15   16   17   18   19   22   25   27   29   31   33   36   38   40   44   47   51   53 
LCS_GDT     V   103_A     V   103_A     14   17   30      6   11   15   16   17   18   19   22   25   27   29   31   33   36   38   40   44   47   51   53 
LCS_GDT     D   104_A     D   104_A     14   17   30      3   11   15   16   17   18   19   20   25   27   29   31   33   36   38   40   44   47   51   53 
LCS_GDT     V   105_A     V   105_A     14   17   27      4   11   15   16   17   18   19   22   25   27   29   31   33   36   37   40   44   47   51   53 
LCS_GDT     I   106_A     I   106_A     14   17   27      5    6   12   16   17   18   19   20   25   27   29   31   33   36   37   40   44   47   51   53 
LCS_GDT     R   107_A     R   107_A     10   17   27      5    6    9   14   16   18   19   20   21   24   26   29   32   35   37   40   44   47   51   53 
LCS_GDT     A   108_A     A   108_A     10   16   26      5    6    9   12   13   14   17   20   21   22   24   25   27   33   37   40   44   47   51   53 
LCS_GDT     D   109_A     D   109_A     10   14   26      5    9    9   12   13   14   17   20   21   22   23   25   27   33   37   40   44   47   51   53 
LCS_GDT     P   110_A     P   110_A     10   14   26      5    9    9   12   13   14   17   20   21   22   24   27   30   33   37   40   44   47   51   53 
LCS_GDT     E   111_A     E   111_A     10   14   26      3    9    9   12   13   14   15   19   19   20   24   31   34   35   39   42   46   47   51   53 
LCS_GDT     A   112_A     A   112_A     10   14   26      4    9    9   12   13   14   15   19   19   20   24   27   30   31   34   37   42   45   51   53 
LCS_GDT     I   113_A     I   113_A     10   14   30      4    9    9   12   13   14   15   19   19   20   24   27   30   31   34   37   44   47   51   53 
LCS_GDT     A   114_A     A   114_A     10   14   30      4    9    9   12   13   14   15   19   19   20   24   25   34   35   39   42   46   47   51   53 
LCS_GDT     K   115_A     K   115_A     10   14   30      4    9    9   12   13   14   16   20   25   26   28   31   34   35   41   42   46   47   49   52 
LCS_GDT     L   116_A     L   116_A     10   14   30      4    9    9   12   13   14   15   19   19   21   24   25   26   32   34   40   44   47   49   52 
LCS_GDT     L   117_A     L   117_A     10   15   30      4   10   10   12   13   15   16   19   19   21   24   25   29   33   39   40   42   46   47   49 
LCS_GDT     N   118_A     N   118_A     10   15   30      4    8   10   11   12   15   15   19   19   21   24   25   34   35   39   42   46   47   49   52 
LCS_GDT     I   119_A     I   119_A      3   15   30      3    3    3    8   13   15   16   17   28   31   31   33   35   36   41   43   46   47   49   52 
LCS_GDT     S   120_A     S   120_A      5   15   30      4    5    8   10   13   15   19   22   26   31   32   34   38   39   41   43   46   47   49   52 
LCS_GDT     K   121_A     K   121_A      5   15   30      4    5    8   12   13   15   16   22   26   29   32   34   38   39   40   43   44   46   49   50 
LCS_GDT     E   122_A     E   122_A      5   15   30      4    5    8   12   13   15   19   22   25   26   32   34   38   39   39   41   42   44   46   49 
LCS_GDT     D   123_A     D   123_A      9   15   30      4   10   10   12   13   15   16   17   19   23   26   30   33   36   39   41   42   44   45   46 
LCS_GDT     V   124_A     V   124_A      9   15   30      8   10   10   12   13   15   16   17   19   21   22   25   26   28   30   33   35   43   45   48 
LCS_GDT     Q   125_A     Q   125_A      9   15   30      8   10   10   12   13   15   16   17   19   21   22   25   26   29   30   34   41   43   45   48 
LCS_GDT     G   126_A     G   126_A      9   15   30      8   10   10   12   13   15   16   17   19   21   22   25   26   29   30   34   41   43   44   46 
LCS_GDT     L   127_A     L   127_A      9   15   30      8   10   10   12   13   15   16   17   19   21   22   25   26   28   32   35   40   42   45   48 
LCS_GDT     A   128_A     A   128_A      9   15   30      8   10   10   12   13   15   16   17   19   21   22   25   26   28   32   35   40   44   45   48 
LCS_GDT     R   129_A     R   129_A      9   15   30      8   10   10   12   13   15   16   17   19   21   22   25   26   28   30   33   37   41   44   46 
LCS_GDT     A   130_A     A   130_A      9   15   30      8   10   10   12   13   15   16   17   19   21   22   25   26   28   30   31   34   39   42   46 
LCS_GDT     G   131_A     G   131_A      9   15   30      8   10   10   12   13   15   16   17   19   21   22   25   26   28   30   31   33   39   42   46 
LCS_GDT     E   132_A     E   132_A      9   13   30      7    7    9   10   11   14   16   17   19   21   22   25   26   28   30   31   34   37   41   43 
LCS_GDT     A   133_A     A   133_A      9   13   30      7    7    9   10   12   14   15   17   19   21   22   25   26   28   30   32   35   38   42   47 
LCS_GDT     A   134_A     A   134_A      9   13   30      7    7    9   10   12   14   15   17   19   21   22   25   26   30   32   36   41   45   51   53 
LCS_GDT     I   135_A     I   135_A      9   13   30      7    7    9   10   12   14   15   17   19   21   22   25   26   28   30   31   36   41   41   43 
LCS_GDT     E   136_A     E   136_A      9   13   30      7    7    9   10   12   14   15   17   18   20   22   25   26   28   30   33   36   41   41   43 
LCS_GDT     R   137_A     R   137_A      9   13   30      7    7    9   10   12   14   15   17   18   20   22   26   30   31   34   36   40   45   51   53 
LCS_GDT     G   138_A     G   138_A      9   20   30      7    7    9   13   17   18   19   20   20   20   24   27   30   31   34   36   38   41   44   46 
LCS_GDT     E   139_A     E   139_A      8   20   30      3    4   13   16   17   18   19   20   20   20   24   27   30   31   34   36   39   42   44   47 
LCS_GDT     G   140_A     G   140_A     10   20   30      3    7    9   13   13   18   18   20   20   20   24   25   29   31   32   34   37   39   41   42 
LCS_GDT     A   141_A     A   141_A     12   20   30      3    7   12   17   17   18   19   20   20   20   24   27   30   31   34   36   37   41   46   47 
LCS_GDT     S   142_A     S   142_A     14   20   30      3    9   15   17   17   18   19   20   20   20   24   31   35   39   40   42   45   45   47   48 
LCS_GDT     L   143_A     L   143_A     15   20   30      5   10   15   17   17   18   19   20   20   20   24   27   30   31   34   36   39   42   44   47 
LCS_GDT     G   144_A     G   144_A     15   20   30      5   10   15   17   17   18   19   20   20   27   32   34   35   39   40   42   45   45   47   50 
LCS_GDT     V   145_A     V   145_A     15   20   30      5   11   15   17   17   18   19   20   22   29   32   34   35   39   40   42   45   47   51   53 
LCS_GDT     L   146_A     L   146_A     15   20   30      6   11   15   17   17   18   19   20   20   24   29   31   35   39   40   42   45   47   51   53 
LCS_GDT     R   147_A     R   147_A     15   20   25      4   11   15   17   17   18   19   20   22   29   32   33   35   39   40   42   45   47   51   53 
LCS_GDT     E   148_A     E   148_A     15   20   25      5   11   15   17   17   18   19   22   25   29   32   34   35   39   40   42   45   47   51   53 
LCS_GDT     L   149_A     L   149_A     15   20   25      5   11   15   17   17   18   19   20   29   30   31   31   34   38   39   42   45   47   51   53 
LCS_GDT     R   150_A     R   150_A     15   20   25      6   11   15   17   17   18   19   20   22   30   31   31   33   38   40   42   45   47   51   53 
LCS_GDT     K   151_A     K   151_A     15   20   25      6   11   15   17   17   18   20   26   29   30   31   31   35   39   40   42   45   47   51   53 
LCS_GDT     I   152_A     I   152_A     15   20   25      6   11   15   17   17   18   22   24   29   30   31   31   34   38   40   42   44   47   51   53 
LCS_GDT     E   153_A     E   153_A     15   20   25      6   11   15   17   19   25   27   28   29   30   32   35   37   39   40   42   44   47   51   53 
LCS_GDT     K   154_A     K   154_A     15   20   25      6   11   15   17   19   21   27   27   29   30   32   34   37   39   40   42   44   47   51   53 
LCS_GDT     K   155_A     K   155_A     15   20   25      3   11   15   17   17   18   19   21   25   29   32   33   36   39   40   42   44   47   51   53 
LCS_GDT     R   156_A     R   156_A     15   20   25      3    3   15   17   17   18   19   20   26   29   32   35   37   39   40   42   44   47   51   53 
LCS_GDT     N   157_A     N   157_A     15   20   25      3    7   15   17   17   18   19   20   24   31   34   36   37   39   40   41   43   45   47   49 
LCS_AVERAGE  LCS_A:  15.11  (   8.28   11.95   25.09 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     10     15     20     23     26     27     29     30     32     33     37     41     46     49     52     54     55     56     59     62 
GDT PERCENT_AT   6.37   9.55  12.74  14.65  16.56  17.20  18.47  19.11  20.38  21.02  23.57  26.11  29.30  31.21  33.12  34.39  35.03  35.67  37.58  39.49
GDT RMS_LOCAL    0.30   0.61   0.89   1.14   1.42   1.55   1.94   2.11   2.35   2.53   4.00   4.25   4.53   4.74   4.97   5.10   5.19   5.30   5.94   6.60
GDT RMS_ALL_AT  20.18  20.58  20.40  20.57  20.48  20.49  21.23  21.54  21.79  22.20  25.70  26.07  25.82  26.08  25.88  25.92  25.88  25.96  25.91  26.42

# Checking swapping
#   possible swapping detected:  D     3_A      D     3_A
#   possible swapping detected:  E    15_A      E    15_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  F    41_A      F    41_A
#   possible swapping detected:  D    47_A      D    47_A
#   possible swapping detected:  E    51_A      E    51_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  E    78_A      E    78_A
#   possible swapping detected:  Y    83_A      Y    83_A
#   possible swapping detected:  E    85_A      E    85_A
#   possible swapping detected:  D    90_A      D    90_A
#   possible swapping detected:  D   109_A      D   109_A
#   possible swapping detected:  E   111_A      E   111_A
#   possible swapping detected:  E   122_A      E   122_A
#   possible swapping detected:  D   123_A      D   123_A
#   possible swapping detected:  E   132_A      E   132_A
#   possible swapping detected:  E   139_A      E   139_A
#   possible swapping detected:  E   148_A      E   148_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     1_A      L     1_A    27.806     0    0.036   0.638    33.148    0.000    0.000
LGA    S     2_A      S     2_A    22.795     0    0.551   0.932    24.923    0.000    0.000
LGA    D     3_A      D     3_A    18.668     0    0.034   1.244    20.512    0.000    0.000
LGA    R     4_A      R     4_A    24.833     0    0.051   1.315    33.088    0.000    0.000
LGA    E     5_A      E     5_A    25.914     0    0.054   0.691    29.701    0.000    0.000
LGA    L     6_A      L     6_A    19.381     0    0.040   1.445    21.494    0.000    0.000
LGA    E     7_A      E     7_A    21.015     0    0.052   0.619    26.907    0.000    0.000
LGA    A     8_A      A     8_A    26.834     0    0.044   0.045    29.172    0.000    0.000
LGA    S     9_A      S     9_A    24.166     0    0.103   0.737    24.760    0.000    0.000
LGA    L    10_A      L    10_A    18.637     0    0.364   1.001    20.567    0.000    0.000
LGA    Q    11_A      Q    11_A    23.178     0    0.044   1.283    29.142    0.000    0.000
LGA    A    12_A      A    12_A    24.063     0    0.063   0.061    25.138    0.000    0.000
LGA    F    13_A      F    13_A    17.102     0    0.033   0.383    19.572    0.000    0.693
LGA    F    14_A      F    14_A    17.275     0    0.090   1.481    19.014    0.000    0.000
LGA    E    15_A      E    15_A    22.571     0    0.031   0.847    29.672    0.000    0.000
LGA    V    16_A      V    16_A    19.729     0    0.085   1.110    20.595    0.000    0.000
LGA    H    17_A      H    17_A    13.809     0    0.062   0.513    15.897    0.000    1.143
LGA    T    18_A      T    18_A    18.771     0    0.065   1.054    22.214    0.000    0.000
LGA    R    19_A      R    19_A    21.412     0    0.042   1.060    28.141    0.000    0.000
LGA    L    20_A      L    20_A    15.168     0    0.052   1.427    17.177    0.000    0.000
LGA    V    21_A      V    21_A    14.275     0    0.042   0.943    17.106    0.000    0.000
LGA    H    22_A      H    22_A    20.732     0    0.109   0.223    27.525    0.000    0.000
LGA    R    23_A      R    23_A    18.801     0    0.091   1.148    24.254    0.000    0.000
LGA    L    24_A      L    24_A    12.941     0    0.066   1.149    14.779    0.000    0.417
LGA    A    25_A      A    25_A    18.043     0    0.149   0.149    20.262    0.000    0.000
LGA    G    26_A      G    26_A    20.855     0    0.400   0.400    21.913    0.000    0.000
LGA    I    27_A      I    27_A    21.286     0    0.045   1.491    23.883    0.000    0.000
LGA    E    28_A      E    28_A    20.318     0    0.139   1.341    24.502    0.000    0.000
LGA    P    29_A      P    29_A    20.248     0    0.170   0.395    20.651    0.000    0.000
LGA    D    30_A      D    30_A    19.131     0    0.617   0.849    19.632    0.000    0.000
LGA    P    31_A      P    31_A    21.867     0    0.063   0.187    25.984    0.000    0.000
LGA    R    32_A      R    32_A    20.017     0    0.065   1.268    21.831    0.000    0.000
LGA    F    33_A      F    33_A    12.616     0    0.053   1.154    15.344    0.000    1.905
LGA    E    34_A      E    34_A    14.515     0    0.075   0.922    19.280    0.000    0.000
LGA    I    35_A      I    35_A    17.786     0    0.045   0.924    25.152    0.000    0.000
LGA    L    36_A      L    36_A    13.144     0    0.029   1.167    14.676    0.119    0.060
LGA    D    37_A      D    37_A     6.965     0    0.053   0.829     9.169    9.762    9.405
LGA    K    38_A      K    38_A    11.402     0    0.061   0.170    22.832    0.000    0.000
LGA    Y    39_A      Y    39_A    11.915     0    0.089   1.293    18.972    1.071    0.357
LGA    I    40_A      I    40_A     6.308     0    0.048   1.086     8.814   28.810   22.440
LGA    F    41_A      F    41_A     3.571     0    0.036   1.418    11.783   38.810   17.489
LGA    R    42_A      R    42_A     7.707     0    0.052   1.474    17.209   15.833    5.758
LGA    Q    43_A      Q    43_A     5.005     0    0.054   0.841    11.382   43.571   21.587
LGA    I    44_A      I    44_A     3.236     0    0.030   0.127     7.351   49.405   35.298
LGA    V    45_A      V    45_A     6.451     0    0.066   1.163    10.681   22.262   13.810
LGA    A    46_A      A    46_A     4.534     0    0.066   0.084     5.787   48.095   42.762
LGA    D    47_A      D    47_A     3.002     0    0.353   1.136     6.112   54.643   37.500
LGA    N    48_A      N    48_A     1.986     0    0.219   1.053     5.603   77.143   58.690
LGA    P    49_A      P    49_A     1.334     0    0.030   0.057     2.608   75.119   69.592
LGA    E    50_A      E    50_A     2.533     0    0.160   1.174     5.521   57.619   53.545
LGA    E    51_A      E    51_A     2.437     0    0.237   1.260     2.899   64.881   65.873
LGA    R    52_A      R    52_A     2.925     0    0.092   0.974     3.914   59.167   50.303
LGA    E    53_A      E    53_A     2.230     0    0.033   0.912     6.889   70.952   47.778
LGA    K    54_A      K    54_A     0.858     0    0.075   1.417     7.869   92.976   64.550
LGA    I    55_A      I    55_A     1.009     0    0.078   1.507     5.342   83.690   69.821
LGA    R    56_A      R    56_A     1.026     0    0.039   1.121     5.833   81.548   66.017
LGA    L    57_A      L    57_A     1.495     0    0.120   1.247     3.808   81.429   73.452
LGA    D    58_A      D    58_A     1.044     0    0.083   1.210     4.197   83.690   72.857
LGA    Y    59_A      Y    59_A     1.789     0    0.044   0.218     2.209   72.857   70.159
LGA    G    60_A      G    60_A     1.960     0    0.044   0.044     1.971   75.000   75.000
LGA    R    61_A      R    61_A     1.147     0    0.024   0.753     3.639   83.690   74.935
LGA    A    62_A      A    62_A     1.083     0    0.069   0.079     1.283   81.429   81.429
LGA    A    63_A      A    63_A     1.709     0    0.039   0.044     1.991   75.000   74.571
LGA    E    64_A      E    64_A     1.365     0    0.034   1.403     5.862   81.429   60.688
LGA    I    65_A      I    65_A     1.071     0    0.043   1.293     2.862   81.429   73.274
LGA    F    66_A      F    66_A     1.459     0    0.016   1.271     7.726   81.429   48.312
LGA    R    67_A      R    67_A     1.238     0    0.030   1.415     6.634   85.952   63.766
LGA    D    68_A      D    68_A     0.996     0    0.039   0.129     2.100   88.214   81.667
LGA    A    69_A      A    69_A     0.634     0    0.072   0.086     1.067   88.214   88.667
LGA    L    70_A      L    70_A     0.940     0    0.060   0.951     4.045   88.214   74.167
LGA    A    71_A      A    71_A     1.535     0    0.098   0.097     2.969   71.310   71.619
LGA    R    72_A      R    72_A     2.155     0    0.653   0.898     4.054   57.976   67.965
LGA    D    73_A      D    73_A     3.770     0    0.285   0.540     6.328   39.167   29.821
LGA    I    74_A      I    74_A     4.646     0    0.147   0.249     5.432   31.548   36.190
LGA    T    75_A      T    75_A     7.836     0    0.252   1.343    11.547    5.476    3.197
LGA    T    76_A      T    76_A    11.002     0    0.677   0.607    13.255    0.357    0.204
LGA    P    77_A      P    77_A    11.791     0    0.086   0.263    14.353    0.000    0.000
LGA    E    78_A      E    78_A    15.424     0    0.042   1.048    19.427    0.000    0.000
LGA    A    79_A      A    79_A    16.116     0    0.053   0.058    17.065    0.000    0.000
LGA    F    80_A      F    80_A    14.635     0    0.074   0.418    17.012    0.000    0.000
LGA    N    81_A      N    81_A    18.974     0    0.058   1.132    21.622    0.000    0.000
LGA    A    82_A      A    82_A    21.773     0    0.042   0.042    23.067    0.000    0.000
LGA    Y    83_A      Y    83_A    19.745     0    0.047   0.636    21.413    0.000    0.000
LGA    L    84_A      L    84_A    20.922     0    0.058   0.448    23.671    0.000    0.000
LGA    E    85_A      E    85_A    25.756     0    0.033   1.237    31.574    0.000    0.000
LGA    A    86_A      A    86_A    26.035     0    0.035   0.045    26.907    0.000    0.000
LGA    L    87_A      L    87_A    24.170     0    0.572   0.770    26.648    0.000    0.000
LGA    G    88_A      G    88_A    27.129     0    0.227   0.227    27.129    0.000    0.000
LGA    P    89_A      P    89_A    27.227     0    0.122   0.122    29.545    0.000    0.000
LGA    D    90_A      D    90_A    20.616     0    0.078   1.369    22.900    0.000    0.000
LGA    A    91_A      A    91_A    21.084     0    0.584   0.568    22.230    0.000    0.000
LGA    V    92_A      V    92_A    26.161     0    0.122   0.939    30.413    0.000    0.000
LGA    R    93_A      R    93_A    25.167     0    0.044   1.196    26.118    0.000    0.000
LGA    T    94_A      T    94_A    17.928     0    0.061   1.109    20.420    0.000    0.000
LGA    V    95_A      V    95_A    18.842     0    0.049   1.175    21.360    0.000    0.000
LGA    Q    96_A      Q    96_A    24.464     0    0.032   0.597    32.917    0.000    0.000
LGA    D    97_A      D    97_A    22.626     0    0.069   0.478    25.950    0.000    0.000
LGA    L    98_A      L    98_A    16.325     0    0.098   1.180    18.327    0.000    0.179
LGA    T    99_A      T    99_A    19.252     0    0.047   0.206    22.231    0.000    0.000
LGA    R   100_A      R   100_A    25.204     0    0.025   1.528    35.296    0.000    0.000
LGA    R   101_A      R   101_A    22.842     0    0.064   1.423    25.027    0.000    0.000
LGA    F   102_A      F   102_A    17.662     0    0.067   1.281    19.326    0.000    0.173
LGA    V   103_A      V   103_A    22.639     0    0.022   0.710    26.984    0.000    0.000
LGA    D   104_A      D   104_A    27.332     0    0.087   0.527    31.261    0.000    0.000
LGA    V   105_A      V   105_A    23.836     0    0.100   0.947    24.417    0.000    0.000
LGA    I   106_A      I   106_A    21.221     0    0.044   0.976    22.771    0.000    0.000
LGA    R   107_A      R   107_A    26.238     0    0.036   1.191    32.366    0.000    0.000
LGA    A   108_A      A   108_A    26.580     0    0.155   0.157    27.146    0.000    0.000
LGA    D   109_A      D   109_A    23.469     0    0.282   0.989    24.126    0.000    0.000
LGA    P   110_A      P   110_A    22.231     0    0.129   0.187    25.062    0.000    0.000
LGA    E   111_A      E   111_A    20.319     0    0.078   1.105    21.854    0.000    0.000
LGA    A   112_A      A   112_A    20.017     0    0.030   0.032    20.995    0.000    0.000
LGA    I   113_A      I   113_A    19.410     0    0.042   0.293    21.783    0.000    0.000
LGA    A   114_A      A   114_A    18.586     0    0.065   0.070    18.928    0.000    0.000
LGA    K   115_A      K   115_A    17.573     0    0.070   1.091    18.640    0.000    0.000
LGA    L   116_A      L   116_A    17.459     0    0.054   0.908    18.141    0.000    0.000
LGA    L   117_A      L   117_A    16.988     0    0.199   0.320    18.596    0.000    0.000
LGA    N   118_A      N   118_A    17.495     0    0.387   1.235    19.776    0.000    0.000
LGA    I   119_A      I   119_A    21.514     0    0.553   1.451    24.056    0.000    0.000
LGA    S   120_A      S   120_A    27.835     0    0.638   0.853    30.066    0.000    0.000
LGA    K   121_A      K   121_A    27.557     0    0.078   0.846    29.870    0.000    0.000
LGA    E   122_A      E   122_A    31.932     0    0.619   1.048    37.942    0.000    0.000
LGA    D   123_A      D   123_A    32.461     0    0.222   1.427    35.141    0.000    0.000
LGA    V   124_A      V   124_A    29.960     0    0.075   1.154    32.959    0.000    0.000
LGA    Q   125_A      Q   125_A    36.252     0    0.056   1.147    42.400    0.000    0.000
LGA    G   126_A      G   126_A    38.293     0    0.048   0.048    38.952    0.000    0.000
LGA    L   127_A      L   127_A    34.742     0    0.021   1.020    37.356    0.000    0.000
LGA    A   128_A      A   128_A    38.723     0    0.028   0.046    42.462    0.000    0.000
LGA    R   129_A      R   129_A    44.312     0    0.027   1.096    46.139    0.000    0.000
LGA    A   130_A      A   130_A    42.471     0    0.091   0.095    43.740    0.000    0.000
LGA    G   131_A      G   131_A    41.230     0    0.262   0.262    42.607    0.000    0.000
LGA    E   132_A      E   132_A    46.639     0    0.102   1.022    52.773    0.000    0.000
LGA    A   133_A      A   133_A    46.161     0    0.049   0.049    46.161    0.000    0.000
LGA    A   134_A      A   134_A    40.235     0    0.018   0.039    42.041    0.000    0.000
LGA    I   135_A      I   135_A    43.676     0    0.046   1.362    47.093    0.000    0.000
LGA    E   136_A      E   136_A    48.893     0    0.031   0.575    55.778    0.000    0.000
LGA    R   137_A      R   137_A    44.384     0    0.246   1.312    45.565    0.000    0.000
LGA    G   138_A      G   138_A    42.455     0    0.156   0.156    43.191    0.000    0.000
LGA    E   139_A      E   139_A    35.239     0    0.478   0.714    38.038    0.000    0.000
LGA    G   140_A      G   140_A    34.099     0    0.619   0.619    35.037    0.000    0.000
LGA    A   141_A      A   141_A    30.576     0    0.035   0.037    31.891    0.000    0.000
LGA    S   142_A      S   142_A    25.286     0    0.057   0.682    27.517    0.000    0.000
LGA    L   143_A      L   143_A    25.816     0    0.070   1.147    30.337    0.000    0.000
LGA    G   144_A      G   144_A    26.006     0    0.048   0.048    26.350    0.000    0.000
LGA    V   145_A      V   145_A    21.953     0    0.024   0.087    24.040    0.000    0.000
LGA    L   146_A      L   146_A    18.298     0    0.070   1.010    19.876    0.000    0.000
LGA    R   147_A      R   147_A    19.770     0    0.060   0.824    30.330    0.000    0.000
LGA    E   148_A      E   148_A    19.317     0    0.097   1.073    24.467    0.000    0.000
LGA    L   149_A      L   149_A    14.356     0    0.027   1.378    16.352    0.000    0.000
LGA    R   150_A      R   150_A    13.225     0    0.048   1.298    14.626    0.000    0.000
LGA    K   151_A      K   151_A    15.201     0    0.033   0.975    20.278    0.000    0.000
LGA    I   152_A      I   152_A    13.210     0    0.045   1.122    13.986    0.000    0.000
LGA    E   153_A      E   153_A     8.864     0    0.098   0.206    10.519    3.929    6.772
LGA    K   154_A      K   154_A    10.329     0    0.130   0.906    12.148    0.357    0.476
LGA    K   155_A      K   155_A    11.944     0    0.263   1.112    17.931    0.000    0.000
LGA    R   156_A      R   156_A     8.438     0    0.090   1.186     9.371    3.095   22.511
LGA    N   157_A      N   157_A     7.127     0    0.201   0.955     8.703   10.833    7.857

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      157     628    628  100.00    1259   1259  100.00               157
SUMMARY(RMSD_GDC):    17.159         17.140                 17.798           14.952   12.845

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  158  157    4.0     30    2.11    19.427    17.665     1.359

LGA_LOCAL      RMSD:   2.107  Number of atoms:   30  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  21.544  Number of assigned atoms:  157 
Std_ASGN_ATOMS RMSD:  17.159  Standard rmsd on all 157 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.555580 * X  +   0.112712 * Y  +  -0.823788 * Z  +  12.340186
  Y_new =  -0.024754 * X  +  -0.988088 * Y  +  -0.151886 * Z  +   5.893409
  Z_new =  -0.831094 * X  +   0.104777 * Y  +  -0.546172 * Z  +   0.108583 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.044526  0.981072  2.952057   [DEG:   -2.5511   56.2113  169.1404 ]
ZXZ: -1.388469  2.148584 -1.445387   [DEG:  -79.5534  123.1048  -82.8146 ]
 
# END of job
