
#######################################################
#                                                     #
#                        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  116 (  967),  selected  114 , name one
# Molecule2: number of CA atoms  114 (  953),  selected  114 , 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:    97       3_A - 99_A        4.99     5.48
  LCS_AVERAGE:     78.15

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    53       3_A - 55_A        1.93     6.74
  LONGEST_CONTINUOUS_SEGMENT:    53       4_A - 56_A        1.95     6.73
  LCS_AVERAGE:     30.18

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29       3_A - 31_A        0.88     5.74
  LCS_AVERAGE:     12.10

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  114
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     G     3_A     G     3_A     29   53   97     12   25   29   34   43   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     E     4_A     E     4_A     29   53   97     15   25   29   35   43   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     E     5_A     E     5_A     29   53   97     15   25   29   39   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     E     6_A     E     6_A     29   53   97     15   25   29   39   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     R     7_A     R     7_A     29   53   97     15   25   29   39   43   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     F     8_A     F     8_A     29   53   97     15   25   30   39   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     R     9_A     R     9_A     29   53   97     15   25   31   39   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     A    10_A     A    10_A     29   53   97     15   25   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     Y    11_A     Y    11_A     29   53   97     15   25   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     Y    12_A     Y    12_A     29   53   97     13   25   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     E    13_A     E    13_A     29   53   97     13   25   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     R    14_A     R    14_A     29   53   97     13   25   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     Y    15_A     Y    15_A     29   53   97     15   25   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     F    16_A     F    16_A     29   53   97     15   25   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     A    17_A     A    17_A     29   53   97     14   25   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     A    18_A     A    18_A     29   53   97     15   25   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     L    19_A     L    19_A     29   53   97     15   25   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     A    20_A     A    20_A     29   53   97     15   25   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     A    21_A     A    21_A     29   53   97     10   25   31   40   45   50   57   64   70   77   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     R    22_A     R    22_A     29   53   97      6   21   31   40   45   50   55   64   70   77   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     D    23_A     D    23_A     29   53   97      4   25   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     Y    24_A     Y    24_A     29   53   97     13   25   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     E    25_A     E    25_A     29   53   97      8   25   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     T    26_A     T    26_A     29   53   97     15   25   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     L    27_A     L    27_A     29   53   97     11   25   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     L    28_A     L    28_A     29   53   97      8   24   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     E    29_A     E    29_A     29   53   97     10   25   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     I    30_A     I    30_A     29   53   97      9   22   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     L    31_A     L    31_A     29   53   97      5   21   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     R    32_A     R    32_A     28   53   97      5   18   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     E    33_A     E    33_A     27   53   97      5   17   31   40   45   50   55   64   70   77   85   91   97   99  102  106  108  109  111  111 
LCS_GDT     F    34_A     F    34_A     27   53   97      8   21   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     G    35_A     G    35_A     27   53   97      8   21   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     V    36_A     V    36_A     26   53   97      4    7   24   36   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     A    37_A     A    37_A     11   53   97      3    8   12   23   42   50   55   62   66   77   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     K    38_A     K    38_A     11   53   97      4   13   31   39   45   50   55   62   68   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     L    39_A     L    39_A     11   53   97      4   13   31   40   45   50   55   62   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     V    40_A     V    40_A     11   53   97      5   13   28   40   45   50   55   61   65   76   83   91   97   99  102  106  108  109  111  111 
LCS_GDT     L    41_A     L    41_A     11   53   97      5   16   29   40   45   49   55   60   63   72   83   90   97   99  102  106  108  109  111  111 
LCS_GDT     N    42_A     N    42_A     11   53   97      3    4   12   35   39   47   51   55   59   65   70   82   88   97  101  106  108  109  111  111 
LCS_GDT     G    43_A     G    43_A     11   53   97      3   18   30   40   45   49   54   60   63   72   79   88   92   97  102  106  108  109  111  111 
LCS_GDT     R    44_A     R    44_A     11   53   97      8   21   31   40   45   50   55   61   68   77   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     E    45_A     E    45_A     11   53   97      6   20   31   40   45   50   55   62   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     F    46_A     F    46_A     11   53   97      8   21   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     A    47_A     A    47_A     11   53   97      5   19   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     S    48_A     S    48_A     11   53   97      4   11   30   40   45   50   55   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     P    49_A     P    49_A     11   53   97      6   17   30   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     E    50_A     E    50_A     11   53   97      6   18   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     E    51_A     E    51_A     11   53   97      7   21   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     A    52_A     A    52_A     11   53   97      6   21   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     V    53_A     V    53_A     11   53   97      5   24   31   40   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     Q    54_A     Q    54_A     11   53   97      6   13   26   37   45   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     W    55_A     W    55_A     11   53   97      5   12   16   26   43   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     A    56_A     A    56_A     11   53   97      3   12   16   23   36   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     R    57_A     R    57_A     11   52   97      6   12   16   22   29   40   51   61   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     D    58_A     D    58_A     11   19   97      4    7   13   20   25   31   38   47   54   64   71   85   91   99  102  106  108  109  111  111 
LCS_GDT     T    59_A     T    59_A     11   19   97      4   12   16   21   26   39   45   56   66   77   85   91   97   99  102  106  108  109  111  111 
LCS_GDT     G    60_A     G    60_A      4   19   97      4    4    4    5   12   18   23   30   43   52   69   84   91   99  102  105  108  109  111  111 
LCS_GDT     L    61_A     L    61_A      3   19   97      3   10   16   23   31   42   49   58   68   77   85   91   97   99  102  106  108  109  111  111 
LCS_GDT     R    62_A     R    62_A      3    3   97      2    7   15   26   37   46   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     F    63_A     F    63_A      3    4   97      1    3   12   19   28   46   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     L    64_A     L    64_A      3    4   97      1    3    3    3    4    4    5    7    7   65   79   87   94   99  102  105  108  109  111  111 
LCS_GDT     R    65_A     R    65_A      3    4   97      3    3    3   30   42   50   55   64   70   77   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     L    66_A     L    66_A      3    4   97      3    6   27   36   43   49   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     I    67_A     I    67_A      3    4   97      3    3    4    5    6    9   39   55   69   77   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     R    68_A     R    68_A      3    4   97      3    3    4    5    6   36   49   55   59   69   75   89   93   97  102  106  108  109  111  111 
LCS_GDT     E    69_A     E    69_A      3    4   97      0    3    3   23   25   29   50   55   58   63   75   89   93   98  102  106  108  109  111  111 
LCS_GDT     R    70_A     R    70_A      3    5   97      0   10   12   23   25   37   43   55   58   63   67   83   89   98  102  106  108  109  111  111 
LCS_GDT     Y    71_A     Y    71_A      3    5   97      1    3   10   23   25   32   40   47   55   63   67   79   89   98  102  106  108  109  111  111 
LCS_GDT     E    72_A     E    72_A      3    5   97      3    3    3    4    5    6   13   17   32   35   36   46   52   62   73   83   97  104  110  111 
LCS_GDT     D    73_A     D    73_A      3    6   97      3    3    3    5    6    9   11   18   32   35   38   46   55   65   79   92  102  106  110  111 
LCS_GDT     G    74_A     G    74_A      3    6   97      3    3    4    5    8    9   12   17   32   35   56   68   81   92   99  105  108  109  111  111 
LCS_GDT     V    75_A     V    75_A      3   10   97      1    3    8   11   18   32   47   55   67   77   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     Y    76_A     Y    76_A      5   10   97      3    5   26   39   45   50   55   62   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     T    77_A     T    77_A      5   10   97      4    5   22   36   43   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     V    78_A     V    78_A      5   10   97      4    5    8   15   28   41   49   62   69   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     E    79_A     E    79_A      5   13   97      4    5    6   14   24   32   38   50   64   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     D    80_A     D    80_A      6   13   97      4    5    6   14   18   30   37   40   46   74   83   90   97   99  102  106  108  109  111  111 
LCS_GDT     I    81_A     I    81_A      6   13   97      3    7   12   23   30   46   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     V    82_A     V    82_A      6   13   97      3    7   12   14   19   30   34   39   51   70   85   91   97   99  102  106  108  109  111  111 
LCS_GDT     S    83_A     S    83_A      6   13   97      3    5   11   14   18   30   34   41   51   70   85   91   97   99  102  106  108  109  111  111 
LCS_GDT     R    84_A     R    84_A      6   13   97      3    5    5    8   10   17   21   25   31   36   40   42   46   53   77   82   98  101  111  111 
LCS_GDT     D    85_A     D    85_A      7   15   97      4    8   12   14   18   25   31   38   40   43   47   68   80   90   95  100  108  109  111  111 
LCS_GDT     D    86_A     D    86_A      7   15   97      3    8   12   14   18   25   33   41   61   75   81   90   96   99  102  106  108  109  111  111 
LCS_GDT     G    87_A     G    87_A      7   16   97      3    8   12   14   18   25   34   41   55   76   85   91   97   99  102  106  108  109  111  111 
LCS_GDT     R    88_A     R    88_A      7   20   97      4    8   13   21   33   46   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     Y    89_A     Y    89_A      8   26   97      4    9   15   21   29   46   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     Y    90_A     Y    90_A      8   26   97      4   14   22   33   37   46   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     R    91_A     R    91_A      8   26   97      4    8   15   31   39   45   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     H    92_A     H    92_A      8   26   97      3   10   16   28   39   46   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     T    93_A     T    93_A     11   26   97      5    9   16   23   29   41   54   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     S    94_A     S    94_A     11   26   97      5    9   19   33   39   46   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     T    95_A     T    95_A     11   26   97      5    9   21   33   39   46   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     L    96_A     L    96_A     11   26   97     15   25   29   33   41   50   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     R    97_A     R    97_A     11   26   97      5   14   28   33   39   46   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     R    98_A     R    98_A     11   26   97      4    9   26   32   39   46   57   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     Q    99_A     Q    99_A     11   26   97      5    8   14   22   36   45   53   62   69   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     P   100_A     P   100_A     11   26   44      4    8   13   20   27   40   53   56   65   72   83   90   97   99  102  106  108  109  111  111 
LCS_GDT     D   101_A     D   101_A     11   26   44      5    8   15   23   27   45   53   62   67   75   84   91   97   99  102  106  108  109  111  111 
LCS_GDT     G   102_A     G   102_A     11   26   44      5    9   14   23   36   45   53   62   67   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     S   103_A     S   103_A     11   26   44      3    8   13   23   36   45   53   62   69   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     Y   104_A     Y   104_A     10   26   44      3    6   14   23   36   45   53   62   69   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     V   105_A     V   105_A      6   26   44      3    9   15   23   27   36   53   62   68   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     Q   106_A     Q   106_A      5   26   44      3    4   13   31   39   45   54   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     Y   107_A     Y   107_A      5   26   44      3    8   15   23   27   40   53   62   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     S   108_A     S   108_A      5   26   44      3    4   13   18   26   45   53   59   69   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     Q   109_A     Q   109_A      5   26   44      2    5   13   23   27   38   53   62   68   77   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     L   110_A     L   110_A      5   26   44      2    5   13   23   39   45   53   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     E   111_A     E   111_A      5   26   44      3    6   14   23   27   38   53   62   69   77   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     L   112_A     L   112_A      5   26   44      4    8   12   23   39   45   53   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     L   113_A     L   113_A      5   26   44      3    7   15   23   39   45   53   62   69   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     G   114_A     G   114_A      4   26   44      5    9   25   33   39   45   55   64   70   78   86   91   97   99  102  106  108  109  111  111 
LCS_GDT     S   115_A     S   115_A      3   11   44      3    3    6   13   16   25   34   52   64   78   85   91   97   99  102  106  108  109  111  111 
LCS_GDT     G   116_A     G   116_A      0    3   44      0    0    3    3    3    3    8   11   16   19   25   29   34   54   74   81   83   98  107  110 
LCS_AVERAGE  LCS_A:  40.14  (  12.10   30.18   78.15 )

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     15     25     31     40     45     50     57     64     70     78     86     91     97     99    102    106    108    109    111    111 
GDT PERCENT_AT  13.16  21.93  27.19  35.09  39.47  43.86  50.00  56.14  61.40  68.42  75.44  79.82  85.09  86.84  89.47  92.98  94.74  95.61  97.37  97.37
GDT RMS_LOCAL    0.36   0.54   0.92   1.25   1.43   1.68   2.33   2.55   2.77   3.26   3.44   3.66   3.93   4.01   4.16   4.49   4.56   4.65   4.86   4.86
GDT RMS_ALL_AT   5.68   5.73   6.72   7.02   6.96   6.59   5.46   5.51   5.50   5.42   5.42   5.38   5.35   5.37   5.35   5.31   5.31   5.31   5.30   5.30

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  E     6_A      E     6_A
#   possible swapping detected:  F     8_A      F     8_A
#   possible swapping detected:  Y    11_A      Y    11_A
#   possible swapping detected:  Y    12_A      Y    12_A
#   possible swapping detected:  E    13_A      E    13_A
#   possible swapping detected:  F    16_A      F    16_A
#   possible swapping detected:  D    23_A      D    23_A
#   possible swapping detected:  E    25_A      E    25_A
#   possible swapping detected:  E    29_A      E    29_A
#   possible swapping detected:  F    34_A      F    34_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    51_A      E    51_A
#   possible swapping detected:  D    58_A      D    58_A
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  D    73_A      D    73_A
#   possible swapping detected:  Y    76_A      Y    76_A
#   possible swapping detected:  D    86_A      D    86_A
#   possible swapping detected:  Y    89_A      Y    89_A
#   possible swapping detected:  D   101_A      D   101_A
#   possible swapping detected:  E   111_A      E   111_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_A      G     3_A     2.547     0    0.456   0.456     4.436   57.976   57.976
LGA    E     4_A      E     4_A     2.490     0    0.093   0.723     4.666   62.857   53.757
LGA    E     5_A      E     5_A     2.117     0    0.048   0.123     2.935   68.810   64.021
LGA    E     6_A      E     6_A     1.877     0    0.015   0.637     3.848   72.857   64.392
LGA    R     7_A      R     7_A     1.662     0    0.046   1.257     8.931   72.857   48.225
LGA    F     8_A      F     8_A     1.388     0    0.052   0.289     1.992   79.286   78.312
LGA    R     9_A      R     9_A     1.336     0    0.087   1.122     6.384   85.952   63.377
LGA    A    10_A      A    10_A     0.709     0    0.057   0.063     0.947   92.857   92.381
LGA    Y    11_A      Y    11_A     0.550     0    0.031   0.691     4.297   95.238   71.825
LGA    Y    12_A      Y    12_A     0.523     0    0.098   1.293     9.061   97.619   55.992
LGA    E    13_A      E    13_A     0.452     0    0.062   0.752     3.804   97.619   80.212
LGA    R    14_A      R    14_A     0.694     0    0.047   1.206     3.132   90.595   78.139
LGA    Y    15_A      Y    15_A     0.662     0    0.066   0.305     3.451   90.476   77.143
LGA    F    16_A      F    16_A     1.255     0    0.040   1.356     6.010   79.286   60.866
LGA    A    17_A      A    17_A     1.758     0    0.043   0.041     1.877   75.000   74.571
LGA    A    18_A      A    18_A     1.512     0    0.046   0.049     1.839   72.857   74.571
LGA    L    19_A      L    19_A     1.518     0    0.076   0.918     4.535   75.000   65.000
LGA    A    20_A      A    20_A     1.891     0    0.071   0.080     2.232   68.810   69.619
LGA    A    21_A      A    21_A     2.277     0    0.723   0.674     2.287   64.762   64.762
LGA    R    22_A      R    22_A     3.843     0    0.389   1.152    13.266   54.167   23.593
LGA    D    23_A      D    23_A     2.550     0    0.095   0.943     2.936   62.976   61.012
LGA    Y    24_A      Y    24_A     2.220     0    0.105   1.285    11.363   64.762   34.683
LGA    E    25_A      E    25_A     2.153     0    0.067   1.628     5.228   68.810   61.640
LGA    T    26_A      T    26_A     1.438     0    0.046   0.073     1.736   79.286   80.204
LGA    L    27_A      L    27_A     1.288     0    0.116   1.234     4.297   81.429   68.095
LGA    L    28_A      L    28_A     1.030     0    0.047   0.111     1.463   83.690   83.690
LGA    E    29_A      E    29_A     1.271     0    0.083   0.782     4.144   79.286   62.857
LGA    I    30_A      I    30_A     1.455     0    0.052   1.247     2.630   79.286   74.167
LGA    L    31_A      L    31_A     1.627     0    0.086   1.376     3.550   71.310   67.381
LGA    R    32_A      R    32_A     2.990     0    0.043   1.444     4.960   52.262   55.498
LGA    E    33_A      E    33_A     3.725     0    0.213   1.064     9.727   50.119   28.730
LGA    F    34_A      F    34_A     2.594     0    0.060   0.947     4.691   57.143   53.247
LGA    G    35_A      G    35_A     2.843     0    0.442   0.442     2.948   57.143   57.143
LGA    V    36_A      V    36_A     3.119     0    0.060   0.164     6.807   46.786   37.619
LGA    A    37_A      A    37_A     5.351     0    0.687   0.617     7.368   33.095   28.476
LGA    K    38_A      K    38_A     4.936     0    0.185   0.562     6.656   28.810   23.386
LGA    L    39_A      L    39_A     4.892     0    0.179   1.338     5.447   28.810   34.821
LGA    V    40_A      V    40_A     6.443     0    0.151   0.249     7.641   14.762   12.789
LGA    L    41_A      L    41_A     6.870     0    0.278   0.733     8.079   10.595   14.524
LGA    N    42_A      N    42_A     8.482     0    0.191   1.019    10.132    5.357    3.274
LGA    G    43_A      G    43_A     7.880     0    0.051   0.051     7.880    8.571    8.571
LGA    R    44_A      R    44_A     5.417     0    0.071   0.728     8.200   25.238   19.221
LGA    E    45_A      E    45_A     4.431     0    0.109   0.644     6.086   38.690   30.899
LGA    F    46_A      F    46_A     3.397     0    0.101   0.282     4.914   45.119   41.255
LGA    A    47_A      A    47_A     3.076     0    0.111   0.132     3.800   50.119   51.524
LGA    S    48_A      S    48_A     3.927     0    0.159   0.652     5.306   50.119   42.143
LGA    P    49_A      P    49_A     2.483     0    0.086   0.151     4.384   65.238   55.034
LGA    E    50_A      E    50_A     2.442     0    0.090   0.294     3.402   62.857   56.508
LGA    E    51_A      E    51_A     2.994     0    0.025   0.905     5.601   60.952   46.243
LGA    A    52_A      A    52_A     1.659     0    0.064   0.068     2.073   75.119   74.667
LGA    V    53_A      V    53_A     1.329     0    0.085   1.185     3.372   73.214   68.776
LGA    Q    54_A      Q    54_A     3.238     0    0.030   1.147     5.007   48.810   42.487
LGA    W    55_A      W    55_A     3.512     0    0.626   0.520     5.219   40.714   42.789
LGA    A    56_A      A    56_A     3.573     0    0.437   0.436     5.613   37.976   40.381
LGA    R    57_A      R    57_A     4.861     0    0.071   1.475     7.509   24.762   24.978
LGA    D    58_A      D    58_A     8.677     0    0.088   0.306    11.511    5.357    2.738
LGA    T    59_A      T    59_A     6.176     0    0.138   1.137     7.072   15.357   23.333
LGA    G    60_A      G    60_A     7.338     0    0.390   0.390     7.724   11.905   11.905
LGA    L    61_A      L    61_A     5.518     0    0.606   1.114     8.154   25.119   18.869
LGA    R    62_A      R    62_A     2.624     0    0.616   1.220     6.428   53.571   40.779
LGA    F    63_A      F    63_A     3.343     0    0.626   1.198    10.532   42.976   20.952
LGA    L    64_A      L    64_A     5.833     0    0.116   0.413    11.895   27.024   14.583
LGA    R    65_A      R    65_A     3.654     0    0.594   1.261     8.030   46.786   25.368
LGA    L    66_A      L    66_A     3.200     0    0.603   1.439     9.707   57.262   32.143
LGA    I    67_A      I    67_A     5.024     0    0.034   0.058     8.396   26.548   17.798
LGA    R    68_A      R    68_A     7.563     0    0.575   1.686    17.079   11.905    4.329
LGA    E    69_A      E    69_A     9.449     0    0.683   0.537    12.662    1.786    0.794
LGA    R    70_A      R    70_A    10.273     0    0.587   1.204    10.345    0.000    0.996
LGA    Y    71_A      Y    71_A    10.375     0    0.307   1.169    14.787    0.000    0.040
LGA    E    72_A      E    72_A    15.659     0    0.630   1.443    20.187    0.000    0.000
LGA    D    73_A      D    73_A    15.609     0    0.055   0.212    17.703    0.000    0.000
LGA    G    74_A      G    74_A    12.824     0    0.656   0.656    13.669    0.000    0.000
LGA    V    75_A      V    75_A     7.117     0    0.094   0.134     9.498   17.619   14.762
LGA    Y    76_A      Y    76_A     4.468     0    0.118   1.287     7.459   45.357   33.135
LGA    T    77_A      T    77_A     3.360     0    0.050   0.085     5.506   36.548   44.422
LGA    V    78_A      V    78_A     4.854     0    0.196   0.224     4.854   32.857   32.245
LGA    E    79_A      E    79_A     5.678     0    0.469   1.061     6.931   19.524   19.206
LGA    D    80_A      D    80_A     7.081     0    0.197   1.040    11.636   20.238   10.179
LGA    I    81_A      I    81_A     3.224     0    0.652   0.830     5.231   34.762   42.440
LGA    V    82_A      V    82_A     7.132     0    0.111   1.098    11.165   22.619   12.993
LGA    S    83_A      S    83_A     7.159     0    0.052   0.500    11.808    4.405    7.460
LGA    R    84_A      R    84_A    11.995     0    0.622   0.879    19.820    0.119    0.043
LGA    D    85_A      D    85_A    11.000     0    0.656   1.329    13.037    0.714    0.357
LGA    D    86_A      D    86_A     7.745     0    0.572   1.372     8.440    6.548   11.131
LGA    G    87_A      G    87_A     7.024     0    0.110   0.110     7.559   15.000   15.000
LGA    R    88_A      R    88_A     3.288     0    0.050   1.507     8.999   40.476   32.641
LGA    Y    89_A      Y    89_A     3.500     0    0.116   0.242     9.385   59.405   28.214
LGA    Y    90_A      Y    90_A     1.583     0    0.053   1.098     8.446   61.190   44.563
LGA    R    91_A      R    91_A     3.251     0    0.094   0.760     8.027   55.357   32.251
LGA    H    92_A      H    92_A     2.874     0    0.058   1.462     4.186   50.357   56.381
LGA    T    93_A      T    93_A     3.772     0    0.193   1.099     6.813   55.833   42.041
LGA    S    94_A      S    94_A     1.928     0    0.273   0.663     3.345   61.190   57.460
LGA    T    95_A      T    95_A     1.642     0    0.099   1.036     5.337   77.262   63.197
LGA    L    96_A      L    96_A     1.545     0    0.034   0.768     5.168   73.214   64.226
LGA    R    97_A      R    97_A     2.742     0    0.119   1.264     4.446   57.262   51.515
LGA    R    98_A      R    98_A     3.379     0    0.082   1.442     7.602   43.929   33.030
LGA    Q    99_A      Q    99_A     6.147     0    0.077   1.099     6.797   18.452   18.677
LGA    P   100_A      P   100_A     9.135     0    0.294   0.530    10.642    2.262    1.293
LGA    D   101_A      D   101_A     8.661     0    0.262   1.296     9.276    2.500    2.976
LGA    G   102_A      G   102_A     7.373     0    0.105   0.105     8.118   13.333   13.333
LGA    S   103_A      S   103_A     5.736     0    0.180   0.629     7.631   23.095   19.444
LGA    Y   104_A      Y   104_A     5.860     0    0.552   0.583     7.715   17.976   18.254
LGA    V   105_A      V   105_A     6.155     0    0.075   0.077    10.462   26.786   16.667
LGA    Q   106_A      Q   106_A     3.997     0    0.650   0.577    10.521   40.238   21.534
LGA    Y   107_A      Y   107_A     4.619     0    0.370   1.294    13.923   34.524   13.214
LGA    S   108_A      S   108_A     4.690     0    0.116   0.813     6.625   34.286   27.937
LGA    Q   109_A      Q   109_A     5.102     0    0.155   0.965    12.964   26.548   13.439
LGA    L   110_A      L   110_A     4.324     0    0.053   0.172     5.468   32.976   32.262
LGA    E   111_A      E   111_A     5.566     0    0.238   0.904     8.252   28.929   20.741
LGA    L   112_A      L   112_A     4.553     0    0.185   0.823     8.017   25.595   20.357
LGA    L   113_A      L   113_A     5.930     0    0.688   0.604     9.129   25.119   15.655
LGA    G   114_A      G   114_A     4.013     0    0.180   0.180     6.670   28.333   28.333
LGA    S   115_A      S   115_A     6.712     0    0.566   0.937     8.486   13.571   13.095
LGA    G   116_A      G   116_A    13.010     0    0.129   0.129    14.118    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      114     456    456  100.00     953    953  100.00               114
SUMMARY(RMSD_GDC):     5.281          5.263                  6.214           43.246   36.563

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  116  114    4.0     64    2.55    51.535    47.607     2.415

LGA_LOCAL      RMSD:   2.550  Number of atoms:   64  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.506  Number of assigned atoms:  114 
Std_ASGN_ATOMS RMSD:   5.281  Standard rmsd on all 114 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.600155 * X  +  -0.770371 * Y  +  -0.215274 * Z  +  21.148916
  Y_new =  -0.250396 * X  +  -0.074665 * Y  +   0.965260 * Z  +  -7.152839
  Z_new =  -0.759682 * X  +   0.633209 * Y  +  -0.148087 * Z  +  29.284958 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.746332  0.862824  1.800535   [DEG: -157.3532   49.4361  103.1631 ]
ZXZ: -2.922162  1.719430 -0.875948   [DEG: -167.4276   98.5161  -50.1882 ]
 
# END of job
