
#######################################################
#                                                     #
#                        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  115 (  972),  selected  108 , name one
# Molecule2: number of CA atoms  108 (  908),  selected  108 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    70       2_C - 71_C        4.83    11.85
  LONGEST_CONTINUOUS_SEGMENT:    70       3_C - 72_C        4.99    12.00
  LCS_AVERAGE:     60.62

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    37      34_C - 70_C        1.96    12.92
  LCS_AVERAGE:     30.27

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      77_C - 109_C       0.95    12.53
  LCS_AVERAGE:     23.15

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  108
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     2_C     L     2_C     27   28   70     13   20   25   27   27   29   30   31   34   37   41   52   61   71   72   77   80   82   85   88 
LCS_GDT     P     3_C     P     3_C     27   28   70      3   14   25   27   27   29   30   31   34   37   41   45   68   71   72   73   76   79   85   88 
LCS_GDT     D     4_C     D     4_C     27   28   70      6   13   25   27   27   29   30   31   34   37   60   65   68   71   72   73   78   82   85   88 
LCS_GDT     E     5_C     E     5_C     27   28   70      7   23   25   27   27   29   30   31   42   52   60   65   68   71   72   75   79   82   85   88 
LCS_GDT     E     6_C     E     6_C     27   28   70     17   23   25   27   27   29   30   31   42   52   60   65   68   71   72   75   80   82   85   88 
LCS_GDT     K     7_C     K     7_C     27   28   70     17   23   25   27   27   29   30   31   34   52   60   65   68   71   72   75   80   82   85   88 
LCS_GDT     L     8_C     L     8_C     27   28   70     17   23   25   27   27   29   30   31   35   51   60   63   68   71   72   77   80   82   85   88 
LCS_GDT     K     9_C     K     9_C     27   28   70      9   23   25   27   27   29   30   31   42   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     L    10_C     L    10_C     27   28   70     17   23   25   27   27   29   30   31   42   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     L    11_C     L    11_C     27   28   70     17   23   25   27   27   29   30   31   35   51   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     D    12_C     D    12_C     27   28   70     13   23   25   27   27   29   30   31   42   51   60   63   68   71   72   77   80   82   85   88 
LCS_GDT     T    13_C     T    13_C     27   28   70     14   23   25   27   27   29   30   31   42   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     L    14_C     L    14_C     27   28   70     17   23   25   27   27   29   30   31   42   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     L    15_C     L    15_C     27   28   70     17   23   25   27   27   29   30   31   42   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     T    16_C     T    16_C     27   28   70     17   23   25   27   27   29   30   31   42   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     M    17_C     M    17_C     27   28   70     17   23   25   27   27   29   30   31   42   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     V    18_C     V    18_C     27   28   70     17   23   25   27   27   29   30   31   42   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     E    19_C     E    19_C     27   28   70     17   23   25   27   27   29   30   31   42   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     W    20_C     W    20_C     27   28   70     17   23   25   27   27   29   30   31   42   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     V    21_C     V    21_C     27   28   70     17   23   25   27   27   29   30   31   42   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     K    22_C     K    22_C     27   28   70     17   23   25   27   27   29   30   31   42   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     E    23_C     E    23_C     27   28   70     17   23   25   27   27   29   30   31   42   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     L    24_C     L    24_C     27   28   70     17   23   25   27   27   29   30   31   34   51   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     L    25_C     L    25_C     27   28   70     17   23   25   27   27   29   30   31   41   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     E    26_C     E    26_C     27   28   70     16   23   25   27   27   29   30   31   42   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     E    27_C     E    27_C     27   28   70     12   23   25   27   27   29   30   31   38   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     S    28_C     S    28_C     27   28   70      6   17   24   27   27   29   30   31   34   36   57   65   68   71   72   77   80   82   85   88 
LCS_GDT     V    29_C     V    29_C     26   28   70      3    5   14   23   27   29   30   31   41   52   60   65   68   71   72   77   80   82   85   86 
LCS_GDT     E    30_C     E    30_C      4    5   70      3    4    4    8   16   20   27   31   41   48   55   62   66   70   72   77   80   82   85   86 
LCS_GDT     K    31_C     K    31_C      4   26   70      3    4    8   16   20   29   34   37   42   47   55   63   68   71   72   74   78   82   85   86 
LCS_GDT     N    32_C     N    32_C      4   33   70      3    4    4   23   33   38   40   40   42   43   48   54   63   70   72   77   80   82   85   86 
LCS_GDT     S    33_C     S    33_C     23   35   70      5   17   22   23   24   38   40   40   44   48   56   65   68   71   72   77   80   82   85   88 
LCS_GDT     R    34_C     R    34_C     23   37   70     15   20   22   25   36   38   40   40   44   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     M    35_C     M    35_C     23   37   70     15   20   22   25   36   38   40   40   44   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     R    36_C     R    36_C     23   37   70     15   20   22   23   36   38   40   40   44   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     H    37_C     H    37_C     23   37   70     12   20   22   23   36   38   40   40   44   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     I    38_C     I    38_C     23   37   70     15   20   22   25   36   38   40   40   44   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     R    39_C     R    39_C     23   37   70     15   20   22   25   36   38   40   40   44   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     A    40_C     A    40_C     23   37   70     15   20   22   23   36   38   40   40   44   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     V    41_C     V    41_C     23   37   70     15   20   22   25   36   38   40   40   44   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     M    42_C     M    42_C     23   37   70     12   20   22   25   36   38   40   40   44   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     W    43_C     W    43_C     23   37   70     15   20   22   25   36   38   40   40   44   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     A    44_C     A    44_C     23   37   70     15   20   22   24   36   38   40   40   44   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     E    45_C     E    45_C     23   37   70     15   20   22   25   36   38   40   40   44   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     Y    46_C     Y    46_C     23   37   70     15   20   22   25   36   38   40   40   44   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     M    47_C     M    47_C     23   37   70     15   20   22   25   36   38   40   40   44   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     L    48_C     L    48_C     23   37   70     15   20   22   25   36   38   40   40   42   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     E    49_C     E    49_C     23   37   70     15   20   22   23   36   38   40   40   44   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     I    50_C     I    50_C     23   37   70     15   20   22   25   36   38   40   40   44   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     A    51_C     A    51_C     23   37   70     15   20   22   25   36   38   40   40   42   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     R    52_C     R    52_C     23   37   70     15   20   22   23   30   38   40   40   42   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     S    53_C     S    53_C     23   37   70     11   20   22   23   36   38   40   40   44   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     L    54_C     L    54_C     23   37   70      5   18   22   25   36   38   40   40   42   52   60   65   68   71   72   77   80   82   85   88 
LCS_GDT     E    55_C     E    55_C     23   37   70      5   10   20   25   36   38   40   40   42   52   60   65   68   71   72   74   79   81   85   88 
LCS_GDT     D    56_C     D    56_C     23   37   70      5   15   16   25   36   38   40   40   42   52   60   65   68   71   72   73   76   80   83   88 
LCS_GDT     E    57_C     E    57_C     17   37   70     13   15   16   24   36   38   40   40   42   52   60   65   68   71   72   73   76   77   77   79 
LCS_GDT     K    58_C     K    58_C     17   37   70     13   15   16   24   36   38   40   40   42   52   60   65   68   71   72   73   76   77   77   79 
LCS_GDT     I    59_C     I    59_C     17   37   70     13   15   16   24   36   38   40   40   42   52   60   65   68   71   72   73   76   77   83   88 
LCS_GDT     L    60_C     L    60_C     17   37   70     13   15   16   25   36   38   40   40   42   52   60   65   68   71   72   73   76   77   77   80 
LCS_GDT     E    61_C     E    61_C     17   37   70     13   15   16   25   36   38   40   40   42   52   60   65   68   71   72   73   76   77   77   79 
LCS_GDT     I    62_C     I    62_C     17   37   70     13   15   16   25   36   38   40   40   42   52   60   65   68   71   72   73   76   77   77   79 
LCS_GDT     A    63_C     A    63_C     17   37   70     13   15   16   25   36   38   40   40   42   52   60   65   68   71   72   73   76   77   82   88 
LCS_GDT     E    64_C     E    64_C     17   37   70     13   15   16   25   36   38   40   40   42   52   60   65   68   71   72   73   76   77   77   79 
LCS_GDT     K    65_C     K    65_C     17   37   70     12   15   16   25   36   38   40   40   42   47   57   65   68   71   72   73   76   77   77   78 
LCS_GDT     L    66_C     L    66_C     17   37   70     13   15   16   25   36   38   40   40   42   52   60   65   68   71   72   73   76   77   77   88 
LCS_GDT     E    67_C     E    67_C     17   37   70     13   15   16   24   36   38   40   40   42   52   60   65   68   71   72   73   76   77   77   79 
LCS_GDT     K    68_C     K    68_C     17   37   70     13   15   16   24   36   38   40   40   42   46   57   65   68   71   72   73   76   77   77   77 
LCS_GDT     A    69_C     A    69_C     17   37   70     13   15   16   25   36   38   40   40   42   46   57   65   68   71   72   73   76   77   77   77 
LCS_GDT     L    70_C     L    70_C     17   37   70     13   15   16   25   36   38   40   40   42   48   60   65   68   71   72   73   76   77   82   88 
LCS_GDT     P    71_C     P    71_C     17   26   70      0    3   11   17   30   38   40   40   42   46   57   65   68   71   72   73   76   77   77   77 
LCS_GDT     E    72_C     E    72_C      5   18   70      4    4    5    5   13   17   23   32   36   42   46   48   51   51   53   56   70   73   77   77 
LCS_GDT     K    73_C     K    73_C      5    5   61      4    4    5    5    5    6   10   15   20   28   42   45   47   50   53   56   70   73   77   77 
LCS_GDT     S    74_C     S    74_C      5    5   61      4    4    5    5    5    7    9   16   38   42   42   45   50   55   63   73   75   75   77   77 
LCS_GDT     K    75_C     K    75_C      5   35   61      4    4    5    5    9   15   20   30   38   42   46   48   51   59   67   73   75   75   77   77 
LCS_GDT     M    76_C     M    76_C     17   35   61      3    9   14   30   34   34   36   39   40   42   56   63   68   71   72   73   75   77   82   88 
LCS_GDT     F    77_C     F    77_C     33   35   61      3   18   32   32   34   34   36   40   42   52   60   65   68   71   72   73   79   82   85   88 
LCS_GDT     T    78_C     T    78_C     33   35   60      3    9   15   30   34   34   36   39   42   52   60   65   68   71   72   75   80   82   85   88 
LCS_GDT     K    79_C     K    79_C     33   35   56      7   22   32   32   34   34   37   40   44   48   55   59   65   68   72   77   80   82   85   88 
LCS_GDT     E    80_C     E    80_C     33   35   56      7   25   32   32   34   34   37   40   44   48   50   55   59   67   72   77   80   82   85   88 
LCS_GDT     E    81_C     E    81_C     33   35   56      9   28   32   32   34   34   36   39   41   48   55   59   64   68   72   77   80   82   85   88 
LCS_GDT     Y    82_C     Y    82_C     33   35   56      7   28   32   32   34   34   36   40   44   49   55   62   65   68   72   77   80   82   85   88 
LCS_GDT     E    83_C     E    83_C     33   35   56     22   28   32   32   34   34   37   40   44   48   50   55   59   67   72   77   80   82   85   88 
LCS_GDT     K    84_C     K    84_C     33   35   56      8   28   32   32   34   34   37   40   44   48   50   55   59   67   72   77   80   82   85   88 
LCS_GDT     L    85_C     L    85_C     33   35   56     22   28   32   32   34   34   37   40   44   48   55   59   64   68   72   77   80   82   85   88 
LCS_GDT     M    86_C     M    86_C     33   35   56     22   28   32   32   34   34   37   40   44   48   50   53   59   67   72   77   80   82   85   88 
LCS_GDT     E    87_C     E    87_C     33   35   56     22   28   32   32   34   34   37   40   44   48   50   52   59   67   72   77   80   82   85   88 
LCS_GDT     V    88_C     V    88_C     33   35   56     22   28   32   32   34   34   37   40   44   48   50   55   59   67   72   77   80   82   85   88 
LCS_GDT     L    89_C     L    89_C     33   35   56     22   28   32   32   34   34   37   40   44   48   50   55   59   67   72   77   80   82   85   88 
LCS_GDT     E    90_C     E    90_C     33   35   56     20   28   32   32   34   34   37   40   44   48   50   52   56   65   72   77   80   82   85   88 
LCS_GDT     E    91_C     E    91_C     33   35   56     22   28   32   32   34   34   37   40   44   48   50   52   59   67   72   77   80   82   85   88 
LCS_GDT     L    92_C     L    92_C     33   35   56     22   28   32   32   34   34   37   40   44   48   50   55   59   67   72   77   80   82   85   88 
LCS_GDT     E    93_C     E    93_C     33   35   56     22   28   32   32   34   34   37   40   44   48   50   52   58   65   72   77   80   82   85   88 
LCS_GDT     E    94_C     E    94_C     33   35   56     22   28   32   32   34   34   37   40   44   48   50   52   54   64   72   77   80   82   85   88 
LCS_GDT     V    95_C     V    95_C     33   35   56     22   28   32   32   34   34   37   40   44   48   50   52   59   67   72   77   80   82   85   88 
LCS_GDT     L    96_C     L    96_C     33   35   56     22   28   32   32   34   34   37   40   44   48   50   52   59   67   72   77   80   82   85   88 
LCS_GDT     E    97_C     E    97_C     33   35   56     22   28   32   32   34   34   37   40   44   48   50   52   54   63   71   77   80   82   85   88 
LCS_GDT     E    98_C     E    98_C     33   35   56     22   28   32   32   34   34   37   40   44   48   50   52   54   64   72   77   80   82   85   88 
LCS_GDT     K    99_C     K    99_C     33   35   56     22   28   32   32   34   34   37   40   44   48   50   52   59   67   72   77   80   82   85   88 
LCS_GDT     K   100_C     K   100_C     33   35   56     22   28   32   32   34   34   37   40   44   48   50   52   54   64   72   77   80   82   85   88 
LCS_GDT     E   101_C     E   101_C     33   35   56     22   28   32   32   34   34   37   40   44   48   50   52   54   58   69   77   80   82   85   88 
LCS_GDT     E   102_C     E   102_C     33   35   56     22   28   32   32   34   34   37   40   44   48   50   52   54   64   72   77   80   82   85   88 
LCS_GDT     V   103_C     V   103_C     33   35   56     22   28   32   32   34   34   37   40   44   48   50   52   58   65   72   77   80   82   85   88 
LCS_GDT     E   104_C     E   104_C     33   35   56     22   28   32   32   34   34   37   40   44   48   50   52   54   58   69   77   80   82   85   88 
LCS_GDT     E   105_C     E   105_C     33   35   56     21   28   32   32   34   34   37   40   44   48   50   52   54   58   69   77   80   82   85   88 
LCS_GDT     R   106_C     R   106_C     33   35   56     22   28   32   32   34   34   37   40   44   48   50   52   55   64   72   77   80   82   85   88 
LCS_GDT     I   107_C     I   107_C     33   35   56     22   28   32   32   34   34   37   40   44   48   50   52   54   63   71   77   80   82   85   88 
LCS_GDT     E   108_C     E   108_C     33   35   56     16   28   32   32   34   34   37   40   44   48   50   52   54   55   63   73   76   80   85   86 
LCS_GDT     G   109_C     G   109_C     33   35   56      4   16   32   32   34   34   37   40   44   48   50   52   54   58   69   77   80   82   85   88 
LCS_AVERAGE  LCS_A:  38.01  (  23.15   30.27   60.62 )

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     22     28     32     32     36     38     40     40     44     52     60     65     68     71     72     77     80     82     85     88 
GDT PERCENT_AT  20.37  25.93  29.63  29.63  33.33  35.19  37.04  37.04  40.74  48.15  55.56  60.19  62.96  65.74  66.67  71.30  74.07  75.93  78.70  81.48
GDT RMS_LOCAL    0.32   0.53   0.77   0.77   1.92   1.99   2.14   2.14   2.94   4.04   4.29   4.49   4.59   4.73   4.77   5.89   6.04   6.14   6.30   6.87
GDT RMS_ALL_AT  11.86  12.19  12.33  12.33  12.93  12.94  12.95  12.95  10.53  11.58  11.36  11.87  11.78  11.87  11.89   9.62   9.53   9.54   9.51   9.12

# Checking swapping
#   possible swapping detected:  D     4_C      D     4_C
#   possible swapping detected:  E     5_C      E     5_C
#   possible swapping detected:  E     6_C      E     6_C
#   possible swapping detected:  D    12_C      D    12_C
#   possible swapping detected:  E    26_C      E    26_C
#   possible swapping detected:  E    30_C      E    30_C
#   possible swapping detected:  E    45_C      E    45_C
#   possible swapping detected:  E    49_C      E    49_C
#   possible swapping detected:  E    55_C      E    55_C
#   possible swapping detected:  D    56_C      D    56_C
#   possible swapping detected:  E    57_C      E    57_C
#   possible swapping detected:  E    64_C      E    64_C
#   possible swapping detected:  E    67_C      E    67_C
#   possible swapping detected:  E    81_C      E    81_C
#   possible swapping detected:  Y    82_C      Y    82_C
#   possible swapping detected:  E    90_C      E    90_C
#   possible swapping detected:  E    91_C      E    91_C
#   possible swapping detected:  E    93_C      E    93_C
#   possible swapping detected:  E   101_C      E   101_C
#   possible swapping detected:  E   102_C      E   102_C
#   possible swapping detected:  E   105_C      E   105_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     2_C      L     2_C    10.523     0    0.611   0.706    12.870    0.000    5.060
LGA    P     3_C      P     3_C    11.022     0    0.097   0.544    13.798    0.000    0.000
LGA    D     4_C      D     4_C     8.912     0    0.120   1.109     9.658    1.071    1.726
LGA    E     5_C      E     5_C    11.877     0    0.066   1.216    17.403    0.000    0.000
LGA    E     6_C      E     6_C    11.942     0    0.043   0.346    17.384    0.000    0.000
LGA    K     7_C      K     7_C     9.062     0    0.044   0.826     9.872    1.190    5.397
LGA    L     8_C      L     8_C    10.497     0    0.122   0.125    13.925    0.119    0.060
LGA    K     9_C      K     9_C    12.489     0    0.065   0.638    18.986    0.000    0.000
LGA    L    10_C      L    10_C    10.205     0    0.058   0.402    11.944    0.238    0.179
LGA    L    11_C      L    11_C     9.462     0    0.022   0.887    11.585    0.714    0.417
LGA    D    12_C      D    12_C    12.146     0    0.042   1.101    16.129    0.000    0.000
LGA    T    13_C      T    13_C    11.914     0    0.050   0.050    13.370    0.000    0.000
LGA    L    14_C      L    14_C     9.438     0    0.048   0.203    10.030    0.595    1.548
LGA    L    15_C      L    15_C    11.129     0    0.078   0.286    12.772    0.000    0.000
LGA    T    16_C      T    16_C    12.846     0    0.033   0.960    15.438    0.000    0.000
LGA    M    17_C      M    17_C    10.599     0    0.061   0.321    11.157    0.119    0.119
LGA    V    18_C      V    18_C     9.695     0    0.041   0.076    10.677    0.238    0.204
LGA    E    19_C      E    19_C    12.833     0    0.016   1.076    19.047    0.000    0.000
LGA    W    20_C      W    20_C    12.512     0    0.033   1.579    15.960    0.000    0.000
LGA    V    21_C      V    21_C     9.290     0    0.023   1.201    10.165    0.833    3.197
LGA    K    22_C      K    22_C    10.956     0    0.047   0.668    15.994    0.000    0.000
LGA    E    23_C      E    23_C    13.341     0    0.067   0.906    18.197    0.000    0.000
LGA    L    24_C      L    24_C    10.989     0    0.137   0.189    13.643    0.476    0.238
LGA    L    25_C      L    25_C     9.214     0    0.084   1.094    10.676    0.952    0.655
LGA    E    26_C      E    26_C    12.179     0    0.067   0.333    16.391    0.000    0.000
LGA    E    27_C      E    27_C    11.802     0    0.098   0.158    16.328    0.000    0.000
LGA    S    28_C      S    28_C     8.196     0    0.258   0.257     9.233   10.238    9.286
LGA    V    29_C      V    29_C     8.033     0    0.565   0.625    11.508    9.048    5.170
LGA    E    30_C      E    30_C    11.074     0    0.055   1.317    17.837    0.119    0.053
LGA    K    31_C      K    31_C     7.443     0    0.165   0.914     8.614   14.048   10.476
LGA    N    32_C      N    32_C     3.181     0    0.416   0.990     6.246   44.167   38.333
LGA    S    33_C      S    33_C     3.800     0    0.599   0.810     6.328   53.810   41.587
LGA    R    34_C      R    34_C     1.376     0    0.064   1.152     2.501   79.286   74.632
LGA    M    35_C      M    35_C     1.961     0    0.057   0.991     6.396   72.857   59.107
LGA    R    36_C      R    36_C     2.491     0    0.086   1.155     9.896   68.810   38.961
LGA    H    37_C      H    37_C     1.921     0    0.133   0.924     3.753   72.857   62.190
LGA    I    38_C      I    38_C     1.310     0    0.038   0.070     2.462   81.429   75.119
LGA    R    39_C      R    39_C     2.024     0    0.042   1.222     6.917   70.833   47.316
LGA    A    40_C      A    40_C     2.120     0    0.039   0.042     2.778   70.833   68.095
LGA    V    41_C      V    41_C     1.598     0    0.072   0.078     2.267   77.143   72.993
LGA    M    42_C      M    42_C     1.344     0    0.079   1.212     3.489   81.429   73.274
LGA    W    43_C      W    43_C     1.699     0    0.043   1.040     7.497   79.286   48.810
LGA    A    44_C      A    44_C     1.960     0    0.030   0.029     2.607   72.857   69.714
LGA    E    45_C      E    45_C     1.872     0    0.022   0.093     3.578   72.857   61.852
LGA    Y    46_C      Y    46_C     1.736     0    0.040   0.415     6.047   79.286   51.111
LGA    M    47_C      M    47_C     1.492     0    0.026   0.702     3.098   81.429   71.429
LGA    L    48_C      L    48_C     1.773     0    0.026   1.405     5.953   75.000   55.476
LGA    E    49_C      E    49_C     2.099     0    0.031   0.912     2.974   68.810   65.767
LGA    I    50_C      I    50_C     1.599     0    0.019   0.646     2.709   77.143   68.095
LGA    A    51_C      A    51_C     1.873     0    0.056   0.053     2.641   70.952   68.190
LGA    R    52_C      R    52_C     3.040     0    0.166   1.913    12.280   57.262   27.662
LGA    S    53_C      S    53_C     2.222     0    0.169   0.733     2.321   68.810   68.810
LGA    L    54_C      L    54_C     1.014     0    0.147   0.330     1.546   79.286   84.940
LGA    E    55_C      E    55_C     1.360     0    0.074   0.749     2.989   81.429   72.328
LGA    D    56_C      D    56_C     1.570     0    0.087   0.894     4.143   72.976   65.595
LGA    E    57_C      E    57_C     2.272     0    0.096   0.842     2.381   64.762   69.365
LGA    K    58_C      K    58_C     2.248     0    0.068   0.868     3.366   64.762   62.328
LGA    I    59_C      I    59_C     2.411     0    0.028   0.062     3.265   64.762   60.060
LGA    L    60_C      L    60_C     1.908     0    0.027   1.037     5.349   72.857   58.095
LGA    E    61_C      E    61_C     2.011     0    0.041   0.857     2.746   70.833   73.175
LGA    I    62_C      I    62_C     2.074     0    0.175   1.260     4.241   64.762   64.048
LGA    A    63_C      A    63_C     1.992     0    0.048   0.048     2.227   70.833   69.619
LGA    E    64_C      E    64_C     2.203     0    0.041   0.878     3.410   64.762   67.725
LGA    K    65_C      K    65_C     2.101     0    0.064   0.807     6.768   66.786   48.095
LGA    L    66_C      L    66_C     1.893     0    0.044   0.154     2.943   72.857   66.905
LGA    E    67_C      E    67_C     2.392     0    0.085   0.722     3.912   62.857   55.820
LGA    K    68_C      K    68_C     2.507     0    0.063   1.308     5.193   62.857   59.153
LGA    A    69_C      A    69_C     2.084     0    0.126   0.144     2.171   64.762   66.381
LGA    L    70_C      L    70_C     2.044     0    0.622   0.543     3.319   61.071   62.917
LGA    P    71_C      P    71_C     3.823     0    0.581   0.760     6.985   32.024   27.143
LGA    E    72_C      E    72_C     9.385     0    0.633   1.097    16.713    4.405    1.958
LGA    K    73_C      K    73_C     9.597     0    0.063   1.031    10.496    2.143    1.005
LGA    S    74_C      S    74_C     8.485     0    0.135   0.139     9.431    4.286    3.333
LGA    K    75_C      K    75_C     8.486     0    0.614   0.764     9.965    3.214    4.603
LGA    M    76_C      M    76_C     7.423     0    0.556   1.199     7.877   15.000   11.786
LGA    F    77_C      F    77_C     5.668     0    0.622   1.255     8.408   15.000   14.675
LGA    T    78_C      T    78_C     9.934     0    0.065   1.152    12.297    1.905    1.088
LGA    K    79_C      K    79_C    16.986     0    0.100   0.594    27.731    0.000    0.000
LGA    E    80_C      E    80_C    19.376     0    0.050   0.827    24.206    0.000    0.000
LGA    E    81_C      E    81_C    13.201     0    0.073   0.873    15.010    0.000    3.122
LGA    Y    82_C      Y    82_C    14.516     0    0.022   1.322    23.172    0.000    0.000
LGA    E    83_C      E    83_C    21.179     0    0.055   1.021    26.956    0.000    0.000
LGA    K    84_C      K    84_C    19.009     0    0.044   1.139    25.461    0.000    0.000
LGA    L    85_C      L    85_C    13.638     0    0.070   0.257    15.439    0.000    1.429
LGA    M    86_C      M    86_C    19.598     0    0.038   1.443    24.704    0.000    0.000
LGA    E    87_C      E    87_C    22.745     0    0.061   0.827    27.533    0.000    0.000
LGA    V    88_C      V    88_C    17.342     0    0.031   0.127    18.902    0.000    0.000
LGA    L    89_C      L    89_C    16.328     0    0.035   0.107    18.709    0.000    0.000
LGA    E    90_C      E    90_C    23.264     0    0.051   1.008    31.172    0.000    0.000
LGA    E    91_C      E    91_C    21.892     0    0.052   0.126    22.866    0.000    0.000
LGA    L    92_C      L    92_C    15.698     0    0.022   1.428    17.589    0.000    0.000
LGA    E    93_C      E    93_C    20.618     0    0.044   0.146    28.370    0.000    0.000
LGA    E    94_C      E    94_C    24.668     0    0.047   0.953    30.740    0.000    0.000
LGA    V    95_C      V    95_C    19.739     0    0.037   0.046    21.114    0.000    0.000
LGA    L    96_C      L    96_C    17.269     0    0.025   0.119    19.608    0.000    0.000
LGA    E    97_C      E    97_C    24.188     0    0.051   1.017    30.298    0.000    0.000
LGA    E    98_C      E    98_C    23.867     0    0.049   0.873    26.609    0.000    0.000
LGA    K    99_C      K    99_C    17.778     0    0.062   1.159    19.661    0.000    0.000
LGA    K   100_C      K   100_C    21.393     0    0.039   0.862    27.616    0.000    0.000
LGA    E   101_C      E   101_C    26.384     0    0.029   0.069    32.780    0.000    0.000
LGA    E   102_C      E   102_C    22.198     0    0.032   1.136    23.255    0.000    0.000
LGA    V   103_C      V   103_C    18.904     0    0.023   0.071    21.202    0.000    0.000
LGA    E   104_C      E   104_C    25.773     0    0.033   0.907    31.463    0.000    0.000
LGA    E   105_C      E   105_C    26.924     0    0.021   0.941    29.627    0.000    0.000
LGA    R   106_C      R   106_C    20.926     0    0.060   0.886    22.722    0.000    0.000
LGA    I   107_C      I   107_C    23.381     0    0.060   0.206    26.214    0.000    0.000
LGA    E   108_C      E   108_C    29.314     0    0.449   1.073    34.534    0.000    0.000
LGA    G   109_C      G   109_C    26.266     0    0.562   0.562    27.045    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      108     432    432  100.00     908    908  100.00               108
SUMMARY(RMSD_GDC):     8.837          8.752                  9.614           26.466   23.417

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  115  108    4.0     40    2.14    40.972    39.062     1.784

LGA_LOCAL      RMSD:   2.142  Number of atoms:   40  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  12.950  Number of assigned atoms:  108 
Std_ASGN_ATOMS RMSD:   8.837  Standard rmsd on all 108 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.120977 * X  +  -0.319890 * Y  +   0.939699 * Z  +  14.295894
  Y_new =   0.964865 * X  +   0.184534 * Y  +   0.187036 * Z  +  30.141624
  Z_new =  -0.233237 * X  +   0.929310 * Y  +   0.286326 * Z  +  26.675426 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.695528  0.235405  1.271920   [DEG:   97.1466   13.4877   72.8756 ]
ZXZ:  1.767266  1.280406 -0.245900   [DEG:  101.2569   73.3619  -14.0890 ]
 
# END of job
