
#######################################################
#                                                     #
#                        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  111 (  795),  selected  105 , name one
# Molecule2: number of CA atoms  105 (  764),  selected  105 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105       7_B - 111_B       2.94     2.94
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    70      19_B - 88_B        1.99     3.04
  LCS_AVERAGE:     52.63

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      24_B - 53_B        0.99     3.23
  LCS_AVERAGE:     17.60

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  105
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     E     7_B     E     7_B      6    9  105      3    4    6    8   15   23   34   46   55   63   79   85   96  103  105  105  105  105  105  105 
LCS_GDT     P     8_B     P     8_B      6    9  105      3    4    7   23   44   64   75   87   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     K     9_B     K     9_B      6    9  105      3    4    6   12   20   33   49   67   84   90  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    10_B     V    10_B      6    9  105      3    4    6   13   23   45   75   88   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     Y    11_B     Y    11_B      6   11  105      3    4    6   12   25   36   47   73   84   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    12_B     A    12_B      6   12  105      3    4    6   13   23   31   52   78   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     P    13_B     P    13_B      5   12  105      3    4    6   10   20   34   59   78   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    14_B     V    14_B      5   30  105      3    4    6   15   24   34   64   88   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     T    15_B     T    15_B      6   58  105      3    5   10   36   54   66   75   84   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     T    16_B     T    16_B      8   58  105      3    5    9   28   42   63   74   80   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    17_B     G    17_B      9   66  105      4    7   15   28   38   52   72   79   85   94  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    18_B     A    18_B      9   67  105      3    7   11   18   37   45   59   71   82   92  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     D    19_B     D    19_B      9   70  105      4    8   29   48   68   80   84   88   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    20_B     G    20_B      9   70  105      4    8   29   60   76   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     K    21_B     K    21_B     29   70  105      4   36   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     L    22_B     L    22_B     29   70  105      4   37   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     S    23_B     S    23_B     29   70  105      4    7   57   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     L    24_B     L    24_B     30   70  105      3   32   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     S    25_B     S    25_B     30   70  105      3   29   58   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    26_B     V    26_B     30   70  105      3   16   58   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    27_B     G    27_B     30   70  105      3    4   34   64   72   80   84   89   95   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    28_B     G    28_B     30   70  105      3   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     Y    29_B     Y    29_B     30   70  105     17   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     K    30_B     K    30_B     30   70  105     15   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     K    31_B     K    31_B     30   70  105     17   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     T    32_B     T    32_B     30   70  105     21   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     F    33_B     F    33_B     30   70  105     21   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     T    34_B     T    34_B     30   70  105     21   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     K    35_B     K    35_B     30   70  105     21   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    36_B     V    36_B     30   70  105     21   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     D    37_B     D    37_B     30   70  105     21   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    38_B     A    38_B     30   70  105     21   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    39_B     A    39_B     30   70  105     21   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     T    40_B     T    40_B     30   70  105     13   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     K    41_B     K    41_B     30   70  105     21   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    42_B     A    42_B     30   70  105     21   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     P    43_B     P    43_B     30   70  105     21   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     L    44_B     L    44_B     30   70  105     21   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    45_B     A    45_B     30   70  105     15   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    46_B     G    46_B     30   70  105      7   35   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    47_B     A    47_B     30   70  105     18   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    48_B     V    48_B     30   70  105     21   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     F    49_B     F    49_B     30   70  105     13   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     Q    50_B     Q    50_B     30   70  105     10   30   52   66   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    51_B     V    51_B     30   70  105     20   39   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    52_B     V    52_B     30   70  105      7   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     E    53_B     E    53_B     30   70  105     15   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     K    54_B     K    54_B     27   70  105      5   26   57   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     D    55_B     D    55_B     24   70  105      5   13   50   66   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    56_B     G    56_B     24   70  105      3   19   50   66   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     D    57_B     D    57_B     24   70  105      3   26   57   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     I    58_B     I    58_B     24   70  105      9   37   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     T    59_B     T    59_B     24   70  105      9   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     L    60_B     L    60_B     24   70  105      9   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     Y    61_B     Y    61_B     24   70  105      7   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     E    62_B     E    62_B     24   70  105      9   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     L    63_B     L    63_B     24   70  105     21   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     S    64_B     S    64_B     24   70  105     21   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     S    65_B     S    65_B     24   70  105     10   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     P    66_B     P    66_B     24   70  105      9   34   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    67_B     A    67_B     24   70  105      9   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    68_B     G    68_B     24   70  105     21   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     Y    69_B     Y    69_B     24   70  105     17   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    70_B     V    70_B     24   70  105      5   35   59   67   77   82   84   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     P    71_B     P    71_B      8   70  105      3    5    9   28   76   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    72_B     V    72_B      5   70  105      3    5   22   59   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     T    73_B     T    73_B      5   70  105      3    5   29   65   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     N    74_B     N    74_B      8   70  105      4    8   16   43   68   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     K    75_B     K    75_B      8   70  105      4    8   27   58   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     P    76_B     P    76_B      8   70  105     16   38   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     I    77_B     I    77_B      8   70  105      9   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     Y    78_B     Y    78_B      8   70  105      9   39   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     N    79_B     N    79_B      8   70  105      9   38   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     I    80_B     I    80_B      8   70  105     15   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     S    81_B     S    81_B      8   70  105     15   39   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     T    82_B     T    82_B      7   70  105      3    5   17   53   76   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    83_B     G    83_B      7   70  105      3    5    6    7   28   58   82   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     E    84_B     E    84_B      7   70  105      3    5    6   46   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    85_B     A    85_B      7   70  105      3    4    6   10   19   46   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     F    86_B     F    86_B      7   70  105      3    5   18   31   46   73   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     D    87_B     D    87_B      7   70  105      4    8   26   58   76   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     S    88_B     S    88_B      7   70  105      3    8   18   29   44   66   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    89_B     A    89_B      4   69  105      3    4    5    5   27   53   79   86   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    90_B     A    90_B      4   22  105      3    4    5    5   61   67   74   80   89   95   99  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    91_B     A    91_B      3   22  105      3    3   15   31   42   53   74   83   89   95   99  103  104  104  105  105  105  105  105  105 
LCS_GDT     S    92_B     S    92_B     17   22  105      5   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    93_B     V    93_B     17   22  105     21   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    94_B     V    94_B     17   22  105     21   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     K    95_B     K    95_B     17   22  105     13   36   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     E    96_B     E    96_B     17   22  105     13   30   54   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     D    97_B     D    97_B     17   22  105     13   30   52   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    98_B     G    98_B     17   22  105     13   30   48   65   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     Q    99_B     Q    99_B     17   22  105     13   33   57   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     Y   100_B     Y   100_B     17   22  105     13   39   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     Y   101_B     Y   101_B     17   22  105     21   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     I   102_B     I   102_B     17   22  105     21   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     T   103_B     T   103_B     17   22  105     21   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     N   104_B     N   104_B     17   22  105     21   40   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     T   105_B     T   105_B     17   22  105      9   31   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     A   106_B     A   106_B     17   22  105     11   31   59   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     A   107_B     A   107_B     17   22  105      9   38   59   67   77   82   84   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     L   108_B     L   108_B     17   22  105      4   16   40   64   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     A   109_B     A   109_B      5   22  105      4   30   52   66   76   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     A   110_B     A   110_B      5   22  105     11   33   52   67   77   82   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_GDT     A   111_B     A   111_B      5   22  105      3    4   13   26   53   76   85   89   97   98  100  103  104  104  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  56.74  (  17.60   52.63  100.00 )

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     21     40     59     67     77     82     85     89     97     98    100    103    104    104    105    105    105    105    105    105 
GDT PERCENT_AT  20.00  38.10  56.19  63.81  73.33  78.10  80.95  84.76  92.38  93.33  95.24  98.10  99.05  99.05 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.67   0.88   1.12   1.44   1.57   1.91   1.98   2.41   2.43   2.56   2.72   2.79   2.79   2.94   2.94   2.94   2.94   2.94   2.94
GDT RMS_ALL_AT   3.08   3.10   3.10   3.06   3.04   3.02   3.01   3.02   2.96   2.96   2.95   2.94   2.94   2.94   2.94   2.94   2.94   2.94   2.94   2.94

# Checking swapping
#   possible swapping detected:  E     7_B      E     7_B
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  D    37_B      D    37_B
#   possible swapping detected:  Y    61_B      Y    61_B
#   possible swapping detected:  E    84_B      E    84_B
#   possible swapping detected:  D    87_B      D    87_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     9.970     0    0.080   1.251    15.963    1.429    0.635
LGA    P     8_B      P     8_B     5.156     0    0.156   0.166     6.248   20.476   27.823
LGA    K     9_B      K     9_B     7.038     0    0.129   0.936    14.693   17.500    7.989
LGA    V    10_B      V    10_B     5.405     0    0.106   1.101     8.278   19.762   17.483
LGA    Y    11_B      Y    11_B     6.392     0    0.027   1.227    15.071   22.738    8.214
LGA    A    12_B      A    12_B     6.070     0    0.232   0.280     6.950   17.143   16.381
LGA    P    13_B      P    13_B     6.021     0    0.058   0.333     6.583   20.357   19.660
LGA    V    14_B      V    14_B     5.668     0    0.236   1.131     8.664   20.595   17.143
LGA    T    15_B      T    15_B     5.408     0    0.627   0.607     8.350   28.810   20.952
LGA    T    16_B      T    16_B     5.412     0    0.688   0.565     8.163   17.381   17.075
LGA    G    17_B      G    17_B     6.685     0    0.143   0.143     7.339   14.524   14.524
LGA    A    18_B      A    18_B     7.569     0    0.264   0.259     8.534   10.119    8.667
LGA    D    19_B      D    19_B     3.975     0    0.118   0.120     5.186   45.476   38.512
LGA    G    20_B      G    20_B     2.909     0    0.113   0.113     3.345   59.167   59.167
LGA    K    21_B      K    21_B     0.950     0    0.097   0.697     3.247   79.405   69.894
LGA    L    22_B      L    22_B     0.944     0    0.032   0.868     3.750   88.214   74.940
LGA    S    23_B      S    23_B     2.461     0    0.271   0.681     5.815   70.833   56.984
LGA    L    24_B      L    24_B     1.187     0    0.081   0.107     2.213   75.000   75.060
LGA    S    25_B      S    25_B     2.121     0    0.297   0.723     5.191   70.833   61.111
LGA    V    26_B      V    26_B     1.986     0    0.037   0.098     2.578   64.881   71.973
LGA    G    27_B      G    27_B     3.536     0    0.617   0.617     5.988   41.310   41.310
LGA    G    28_B      G    28_B     1.508     0    0.045   0.045     1.582   77.143   77.143
LGA    Y    29_B      Y    29_B     1.020     0    0.422   0.695     1.828   83.690   80.040
LGA    K    30_B      K    30_B     1.747     0    0.005   0.885     7.079   70.833   50.635
LGA    K    31_B      K    31_B     1.240     0    0.083   0.864     2.306   85.952   80.741
LGA    T    32_B      T    32_B     0.609     0    0.049   1.083     2.551   90.476   82.041
LGA    F    33_B      F    33_B     0.673     0    0.073   0.278     2.319   90.476   80.952
LGA    T    34_B      T    34_B     0.777     0    0.051   0.145     1.401   90.476   87.891
LGA    K    35_B      K    35_B     0.739     0    0.083   0.691     3.080   90.476   78.360
LGA    V    36_B      V    36_B     0.854     0    0.057   0.112     1.250   90.476   86.599
LGA    D    37_B      D    37_B     0.929     0    0.083   0.424     1.442   85.952   87.083
LGA    A    38_B      A    38_B     1.012     0    0.028   0.028     1.064   83.690   83.238
LGA    A    39_B      A    39_B     1.238     0    0.116   0.126     1.611   79.286   79.714
LGA    T    40_B      T    40_B     0.716     0    0.015   0.073     1.099   88.214   89.184
LGA    K    41_B      K    41_B     0.882     0    0.110   1.107     5.520   88.214   67.989
LGA    A    42_B      A    42_B     0.521     0    0.017   0.023     0.574   90.476   92.381
LGA    P    43_B      P    43_B     0.574     0    0.030   0.057     0.947   95.238   93.197
LGA    L    44_B      L    44_B     0.182     0    0.207   0.259     0.979   97.619   95.238
LGA    A    45_B      A    45_B     1.345     0    0.058   0.090     1.591   77.143   78.000
LGA    G    46_B      G    46_B     2.124     0    0.062   0.062     2.124   68.810   68.810
LGA    A    47_B      A    47_B     1.160     0    0.129   0.150     1.242   81.429   83.238
LGA    V    48_B      V    48_B     0.909     0    0.031   0.059     1.759   85.952   82.789
LGA    F    49_B      F    49_B     1.108     0    0.054   0.165     1.291   85.952   88.009
LGA    Q    50_B      Q    50_B     2.049     0    0.042   0.675     4.524   72.976   61.376
LGA    V    51_B      V    51_B     1.566     0    0.017   1.211     4.257   75.000   69.048
LGA    V    52_B      V    52_B     1.073     0    0.130   1.115     2.649   85.952   78.163
LGA    E    53_B      E    53_B     1.152     0    0.052   0.708     1.898   88.214   83.598
LGA    K    54_B      K    54_B     1.510     0    0.015   1.190     7.856   72.976   54.815
LGA    D    55_B      D    55_B     2.327     0    0.615   0.604     4.519   56.548   55.952
LGA    G    56_B      G    56_B     2.271     0    0.191   0.191     3.339   61.071   61.071
LGA    D    57_B      D    57_B     1.794     0    0.145   0.857     1.940   77.143   75.000
LGA    I    58_B      I    58_B     1.591     0    0.036   0.121     2.370   72.857   68.810
LGA    T    59_B      T    59_B     1.479     0    0.077   1.098     3.615   77.143   72.313
LGA    L    60_B      L    60_B     1.575     0    0.028   0.126     1.598   77.143   77.143
LGA    Y    61_B      Y    61_B     1.447     0    0.027   0.205     1.842   75.000   83.849
LGA    E    62_B      E    62_B     1.515     0    0.112   0.379     2.965   77.143   72.116
LGA    L    63_B      L    63_B     1.467     0    0.128   0.843     4.459   81.429   66.964
LGA    S    64_B      S    64_B     1.756     0    0.069   0.085     2.093   70.833   71.508
LGA    S    65_B      S    65_B     1.978     0    0.016   0.050     2.414   68.810   67.460
LGA    P    66_B      P    66_B     1.986     0    0.058   0.088     2.062   70.833   70.544
LGA    A    67_B      A    67_B     1.630     0    0.010   0.016     1.861   75.000   74.571
LGA    G    68_B      G    68_B     1.003     0    0.097   0.097     1.191   81.429   81.429
LGA    Y    69_B      Y    69_B     1.425     0    0.086   0.108     1.933   77.143   80.000
LGA    V    70_B      V    70_B     1.961     0    0.034   0.082     3.276   79.405   71.020
LGA    P    71_B      P    71_B     2.745     0    0.014   0.359     4.048   69.048   57.211
LGA    V    72_B      V    72_B     2.180     0    0.113   0.251     3.920   57.500   57.619
LGA    T    73_B      T    73_B     2.043     0    0.205   0.288     2.457   66.786   70.748
LGA    N    74_B      N    74_B     3.566     0    0.275   0.288     5.311   50.119   40.179
LGA    K    75_B      K    75_B     2.735     0    0.149   0.964     5.438   61.190   46.878
LGA    P    76_B      P    76_B     0.352     0    0.067   0.082     1.548   92.857   86.803
LGA    I    77_B      I    77_B     1.667     0    0.058   0.086     2.006   72.976   71.905
LGA    Y    78_B      Y    78_B     1.684     0    0.049   0.289     2.050   72.857   72.937
LGA    N    79_B      N    79_B     1.565     0    0.085   0.899     4.648   75.000   62.202
LGA    I    80_B      I    80_B     0.904     0    0.179   0.644     1.940   86.071   84.940
LGA    S    81_B      S    81_B     0.858     0    0.417   0.631     2.715   77.738   73.492
LGA    T    82_B      T    82_B     2.926     0    0.652   1.342     7.401   62.976   43.537
LGA    G    83_B      G    83_B     3.962     0    0.199   0.199     4.234   45.238   45.238
LGA    E    84_B      E    84_B     2.599     0    0.663   1.128     4.868   57.143   48.466
LGA    A    85_B      A    85_B     4.406     0    0.369   0.473     5.130   37.262   35.048
LGA    F    86_B      F    86_B     4.252     0    0.060   1.305    12.109   41.905   18.355
LGA    D    87_B      D    87_B     2.753     0    0.571   1.098     3.868   53.571   53.869
LGA    S    88_B      S    88_B     4.903     0    0.082   0.141     8.117   42.143   30.079
LGA    A    89_B      A    89_B     4.119     0    0.156   0.157     6.623   37.143   32.381
LGA    A    90_B      A    90_B     5.957     0    0.073   0.075     8.403   21.667   20.000
LGA    A    91_B      A    91_B     5.564     0    0.670   0.605     7.104   31.905   27.524
LGA    S    92_B      S    92_B     1.350     0    0.383   0.335     2.330   75.119   71.667
LGA    V    93_B      V    93_B     1.188     0    0.098   0.153     1.534   81.429   80.204
LGA    V    94_B      V    94_B     0.950     0    0.023   0.040     1.042   88.214   89.184
LGA    K    95_B      K    95_B     1.530     0    0.030   0.180     1.685   77.143   75.714
LGA    E    96_B      E    96_B     1.783     0    0.431   1.071     4.308   61.905   60.688
LGA    D    97_B      D    97_B     1.962     0    0.185   0.153     2.108   70.833   69.821
LGA    G    98_B      G    98_B     2.263     0    0.067   0.067     2.263   64.762   64.762
LGA    Q    99_B      Q    99_B     1.838     0    0.017   0.504     3.171   72.857   68.519
LGA    Y   100_B      Y   100_B     1.452     0    0.014   0.151     2.394   79.286   72.302
LGA    Y   101_B      Y   101_B     0.836     0    0.042   0.102     1.234   90.476   88.214
LGA    I   102_B      I   102_B     0.739     0    0.027   0.122     0.816   90.476   90.476
LGA    T   103_B      T   103_B     0.760     0    0.040   0.075     1.024   90.476   89.184
LGA    N   104_B      N   104_B     0.867     1    0.040   0.422     1.199   85.952   74.643
LGA    T   105_B      T   105_B     1.849     0    0.021   0.043     2.842   75.000   69.524
LGA    A   106_B      A   106_B     1.593     0    0.038   0.048     2.199   70.833   71.238
LGA    A   107_B      A   107_B     1.848     0    0.056   0.078     2.500   77.143   74.667
LGA    L   108_B      L   108_B     2.442     0    0.149   1.416     7.678   73.095   52.202
LGA    A   109_B      A   109_B     1.850     0    0.067   0.105     3.109   77.143   71.714
LGA    A   110_B      A   110_B     1.628     0    0.019   0.016     3.122   66.905   63.524
LGA    A   111_B      A   111_B     5.452     0    0.236   0.318     8.047   39.405   32.476

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      105     420    420  100.00     764    764  100.00               105
SUMMARY(RMSD_GDC):     2.935          2.914                  3.624           66.472   62.149

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  111  105    4.0     89    1.98    71.667    71.509     4.283

LGA_LOCAL      RMSD:   1.978  Number of atoms:   89  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.022  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   2.935  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.576656 * X  +   0.670298 * Y  +  -0.467085 * Z  +  42.172230
  Y_new =   0.691797 * X  +   0.096488 * Y  +  -0.715616 * Z  + -63.307072
  Z_new =  -0.434608 * X  +  -0.735793 * Y  +  -0.519351 * Z  +  13.070861 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.265670  0.449603 -2.185430   [DEG:  129.8133   25.7603 -125.2159 ]
ZXZ: -0.578273  2.116887 -2.608065   [DEG:  -33.1326  121.2887 -149.4311 ]
 
# END of job
