
#######################################################
#                                                     #
#                        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  109 (  875),  selected  109 , name one
# Molecule2: number of CA atoms  109 (  875),  selected  109 , 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:   109       1_A - 109_A       2.79     2.79
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    52      54_A - 105_A       1.99     3.15
  LCS_AVERAGE:     37.84

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16      82_A - 97_A        0.88     7.77
  LCS_AVERAGE:     10.13

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  109
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     1_A     G     1_A     11   32  109      8   10   21   49   70   86   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     P     2_A     P     2_A     11   32  109      8   10   28   48   64   85   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     I     3_A     I     3_A     11   32  109      8   13   33   58   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     I     4_A     I     4_A     11   32  109      8   25   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     E     5_A     E     5_A     11   32  109      8   13   32   53   74   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     N     6_A     N     6_A     11   32  109      8   13   29   56   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     C     7_A     C     7_A     11   32  109      8   14   39   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     A     8_A     A     8_A     11   32  109      8   16   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     A     9_A     A     9_A     11   32  109      7   13   24   49   74   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     F    10_A     F    10_A     11   32  109      4   13   37   58   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     I    11_A     I    11_A     11   32  109      4   13   37   58   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     E    12_A     E    12_A      9   32  109      4   12   34   58   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     K    13_A     K    13_A      9   32  109      5   14   20   37   60   85   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     T    14_A     T    14_A      9   32  109      5   14   24   40   63   86   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     M    15_A     M    15_A      9   32  109      5   15   28   53   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     S    16_A     S    16_A      9   32  109      3    7   25   42   70   86   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     K    17_A     K    17_A      9   32  109     16   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     Y    18_A     Y    18_A      9   32  109     16   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     A    19_A     A    19_A      9   32  109     16   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     I    20_A     I    20_A     10   32  109     16   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     T    21_A     T    21_A     10   32  109     11   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     L    22_A     L    22_A     10   32  109      4   22   39   58   75   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     S    23_A     S    23_A     10   32  109      3    8   15   32   48   68   85  100  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     D    24_A     D    24_A     10   32  109      3    8   21   37   59   79   95  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     G    25_A     G    25_A     10   32  109      3   13   23   40   54   76   91  100  103  105  106  107  109  109  109  109  109  109  109  109 
LCS_GDT     T    26_A     T    26_A     10   32  109      4   22   36   54   70   86   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     I    27_A     I    27_A     10   32  109      4   24   39   54   74   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     L    28_A     L    28_A     13   32  109      9   27   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     K    29_A     K    29_A     14   32  109     16   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     S    30_A     S    30_A     14   32  109     16   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     T    31_A     T    31_A     14   32  109      9   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     I    32_A     I    32_A     14   32  109      9   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     K    33_A     K    33_A     14   32  109      3   17   37   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     N    34_A     N    34_A     14   32  109      4   17   38   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     E    35_A     E    35_A     14   32  109      5   22   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     T    36_A     T    36_A     14   32  109      4   18   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     L    37_A     L    37_A     14   32  109      7   25   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     K    38_A     K    38_A     14   32  109      5   28   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     K    39_A     K    39_A     14   32  109     10   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     T    40_A     T    40_A     14   32  109      6   25   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     F    41_A     F    41_A     14   32  109      6   20   39   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     P    42_A     P    42_A     14   32  109      6   20   37   58   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     I    43_A     I    43_A     10   32  109      6   20   39   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     L    44_A     L    44_A     10   32  109      6   26   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     K    45_A     K    45_A     10   32  109      6   21   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     N    46_A     N    46_A      5   32  109      3   11   29   57   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     L    47_A     L    47_A      5   32  109      5   17   38   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     L    48_A     L    48_A      5   32  109      3    4   13   32   71   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     K    49_A     K    49_A      5   24  109      3    5   12   18   21   40   50   78   96  102  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     D    50_A     D    50_A      5   24  109      3    4    7   14   19   22   30   64   91  102  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     Q    51_A     Q    51_A      5   39  109      3   13   36   58   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     I    52_A     I    52_A      5   41  109      3    6   15   37   52   78   93  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     P    53_A     P    53_A      5   47  109      4   12   36   58   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     T    54_A     T    54_A      5   52  109      3    4   39   53   74   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     G    55_A     G    55_A     13   52  109      3   20   37   53   68   87   95  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     S    56_A     S    56_A     13   52  109      3   13   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     S    57_A     S    57_A     13   52  109     16   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     F    58_A     F    58_A     13   52  109     16   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     F    59_A     F    59_A     13   52  109     16   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     K    60_A     K    60_A     13   52  109     16   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     L    61_A     L    61_A     13   52  109      0    3   13   57   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     P    62_A     P    62_A     13   52  109      9   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     V    63_A     V    63_A     13   52  109     16   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     V    64_A     V    64_A     13   52  109     14   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     F    65_A     F    65_A     13   52  109     16   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     F    66_A     F    66_A     13   52  109     16   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     R    67_A     R    67_A     13   52  109     16   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     V    68_A     V    68_A     12   52  109      3    8   15   39   56   73   87   99  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     T    69_A     T    69_A      8   52  109      3   12   33   49   68   86   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     D    70_A     D    70_A     10   52  109      5   12   25   43   66   85   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     N    71_A     N    71_A     11   52  109      7   22   39   54   74   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     V    72_A     V    72_A     11   52  109     11   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     I    73_A     I    73_A     11   52  109     16   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     V    74_A     V    74_A     11   52  109     16   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     I    75_A     I    75_A     11   52  109     16   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     L    76_A     L    76_A     11   52  109     16   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     L    77_A     L    77_A     11   52  109     16   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     T    78_A     T    78_A     11   52  109     16   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     N    79_A     N    79_A     11   52  109     11   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     E    80_A     E    80_A     11   52  109      7   21   39   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     K    81_A     K    81_A     11   52  109      4    8   28   58   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     E    82_A     E    82_A     16   52  109      4   13   25   50   71   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     N    83_A     N    83_A     16   52  109      9   26   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     I    84_A     I    84_A     16   52  109     12   22   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     I    85_A     I    85_A     16   52  109     12   18   39   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     L    86_A     L    86_A     16   52  109     12   14   39   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     S    87_A     S    87_A     16   52  109     12   21   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     M    88_A     M    88_A     16   52  109     16   29   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     F    89_A     F    89_A     16   52  109     12   14   26   55   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     E    90_A     E    90_A     16   52  109     12   14   22   46   74   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     L    91_A     L    91_A     16   52  109     12   14   36   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     F    92_A     F    92_A     16   52  109     12   21   37   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     S    93_A     S    93_A     16   52  109     12   14   22   46   64   86   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     T    94_A     T    94_A     16   52  109     12   14   22   46   67   86   95  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     Q    95_A     Q    95_A     16   52  109     12   14   33   56   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     F    96_A     F    96_A     16   52  109      4   14   34   58   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     A    97_A     A    97_A     16   52  109      4    5   30   56   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     E    98_A     E    98_A      7   52  109      3   22   39   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     K    99_A     K    99_A      7   52  109      3   16   41   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     L   100_A     L   100_A      7   52  109      3    6   14   35   60   85   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     A   101_A     A   101_A      7   52  109      5   18   38   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     L   102_A     L   102_A      7   52  109      4   16   39   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     E   103_A     E   103_A      7   52  109      4    7   29   47   72   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     Y   104_A     Y   104_A      7   52  109      4   13   37   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     P   105_A     P   105_A      7   52  109      4   13   32   60   76   87   96  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     R   106_A     R   106_A      4   34  109      3   11   15   21   49   67   89   97  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     T   107_A     T   107_A      4   23  109      3    5   10   16   39   69   93  101  103  105  106  108  109  109  109  109  109  109  109  109 
LCS_GDT     Y   108_A     Y   108_A      3   19  109      3    3    3    7   12   24   47   70   75   97  105  108  109  109  109  109  109  109  109  109 
LCS_GDT     E   109_A     E   109_A      3    5  109      1    3    3   26   38   50   57   75   85  100  105  108  109  109  109  109  109  109  109  109 
LCS_AVERAGE  LCS_A:  49.32  (  10.13   37.84  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     16     29     41     60     76     87     96    101    103    105    106    108    109    109    109    109    109    109    109    109 
GDT PERCENT_AT  14.68  26.61  37.61  55.05  69.72  79.82  88.07  92.66  94.50  96.33  97.25  99.08 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.62   0.92   1.35   1.69   1.88   2.10   2.24   2.31   2.39   2.47   2.76   2.79   2.79   2.79   2.79   2.79   2.79   2.79   2.79
GDT RMS_ALL_AT   3.68   3.65   3.55   3.06   2.86   2.91   2.89   2.85   2.86   2.85   2.84   2.79   2.79   2.79   2.79   2.79   2.79   2.79   2.79   2.79

# Checking swapping
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  F    10_A      F    10_A
#   possible swapping detected:  E    12_A      E    12_A
#   possible swapping detected:  F    58_A      F    58_A
#   possible swapping detected:  F    59_A      F    59_A
#   possible swapping detected:  E    80_A      E    80_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  F    96_A      F    96_A
#   possible swapping detected:  E    98_A      E    98_A
#   possible swapping detected:  E   103_A      E   103_A
#   possible swapping detected:  E   109_A      E   109_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     3.406     0    0.485   0.485     3.406   57.500   57.500
LGA    P     2_A      P     2_A     3.739     0    0.080   0.220     5.360   48.452   41.224
LGA    I     3_A      I     3_A     2.044     0    0.027   1.029     3.233   73.095   66.131
LGA    I     4_A      I     4_A     0.490     0    0.153   0.267     1.656   95.238   85.119
LGA    E     5_A      E     5_A     2.466     0    0.069   0.771     7.109   66.786   45.767
LGA    N     6_A      N     6_A     2.453     0    0.066   0.069     4.502   68.810   53.869
LGA    C     7_A      C     7_A     1.517     0    0.043   0.047     3.452   79.286   71.984
LGA    A     8_A      A     8_A     2.171     0    0.040   0.113     3.157   68.929   65.143
LGA    A     9_A      A     9_A     2.618     0    0.063   0.075     3.362   62.976   60.381
LGA    F    10_A      F    10_A     1.683     0    0.161   1.295     7.584   77.143   49.394
LGA    I    11_A      I    11_A     1.689     0    0.190   1.554     4.969   72.857   64.821
LGA    E    12_A      E    12_A     1.924     0    0.030   0.699     5.298   65.000   49.524
LGA    K    13_A      K    13_A     3.730     0    0.064   0.859     7.087   43.452   32.857
LGA    T    14_A      T    14_A     3.545     0    0.068   0.156     4.464   48.333   46.259
LGA    M    15_A      M    15_A     2.263     0    0.091   0.948     3.278   57.262   67.321
LGA    S    16_A      S    16_A     3.065     0    0.169   0.192     4.260   65.357   55.952
LGA    K    17_A      K    17_A     1.280     0    0.320   0.891     6.904   88.214   56.614
LGA    Y    18_A      Y    18_A     0.604     0    0.038   0.294     1.980   90.476   81.627
LGA    A    19_A      A    19_A     0.904     0    0.048   0.048     1.024   85.952   86.857
LGA    I    20_A      I    20_A     1.304     0    0.056   0.154     1.808   77.143   78.214
LGA    T    21_A      T    21_A     2.055     0    0.020   0.057     2.729   68.810   63.810
LGA    L    22_A      L    22_A     2.518     0    0.077   0.147     3.540   53.810   54.583
LGA    S    23_A      S    23_A     4.680     0    0.196   0.633     5.367   33.095   31.667
LGA    D    24_A      D    24_A     4.275     0    0.036   1.122     6.591   35.714   33.512
LGA    G    25_A      G    25_A     4.705     0    0.079   0.079     4.705   34.286   34.286
LGA    T    26_A      T    26_A     3.383     0    0.056   0.092     3.722   50.119   52.109
LGA    I    27_A      I    27_A     2.859     0    0.076   1.210     4.725   53.571   49.702
LGA    L    28_A      L    28_A     1.928     0    0.000   1.449     3.501   72.857   68.155
LGA    K    29_A      K    29_A     1.950     0    0.039   0.744     5.587   72.857   58.413
LGA    S    30_A      S    30_A     1.545     0    0.102   0.107     2.643   66.905   71.746
LGA    T    31_A      T    31_A     2.406     0    0.043   0.047     2.706   62.857   61.497
LGA    I    32_A      I    32_A     2.068     0    0.106   1.090     3.495   68.810   74.762
LGA    K    33_A      K    33_A     2.309     0    0.045   0.756     6.866   66.786   49.153
LGA    N    34_A      N    34_A     2.262     0    0.090   0.212     4.464   68.810   55.357
LGA    E    35_A      E    35_A     1.863     0    0.033   0.853     4.641   70.833   58.307
LGA    T    36_A      T    36_A     2.267     0    0.043   0.100     2.861   64.762   61.497
LGA    L    37_A      L    37_A     1.708     0    0.018   0.053     2.631   72.857   68.869
LGA    K    38_A      K    38_A     1.296     0    0.130   0.707     5.606   79.286   58.995
LGA    K    39_A      K    39_A     1.413     0    0.117   0.234     2.361   79.286   75.767
LGA    T    40_A      T    40_A     1.494     0    0.174   0.331     1.750   79.286   78.980
LGA    F    41_A      F    41_A     1.966     0    0.052   0.110     3.370   70.833   61.558
LGA    P    42_A      P    42_A     2.548     0    0.061   0.270     3.866   62.857   56.395
LGA    I    43_A      I    43_A     1.953     0    0.060   0.122     2.354   72.976   70.893
LGA    L    44_A      L    44_A     0.730     0    0.128   1.007     3.752   88.214   79.226
LGA    K    45_A      K    45_A     1.379     0    0.599   0.993     5.713   66.190   58.571
LGA    N    46_A      N    46_A     2.707     0    0.116   0.956     6.914   61.190   41.012
LGA    L    47_A      L    47_A     1.509     0    0.054   0.075     4.761   79.405   61.786
LGA    L    48_A      L    48_A     2.973     0    0.223   0.853     6.582   46.786   35.774
LGA    K    49_A      K    49_A     6.622     0    0.086   1.052    13.009   14.405    8.307
LGA    D    50_A      D    50_A     7.669     0    0.070   0.880     9.002   12.143    8.036
LGA    Q    51_A      Q    51_A     2.817     0    0.565   0.980     6.216   40.952   37.090
LGA    I    52_A      I    52_A     4.499     0    0.113   1.096     9.757   45.119   30.536
LGA    P    53_A      P    53_A     2.296     0    0.169   0.429     6.348   50.952   40.816
LGA    T    54_A      T    54_A     2.773     0    0.584   0.545     6.033   75.476   53.129
LGA    G    55_A      G    55_A     3.192     0    0.652   0.652     4.829   45.357   45.357
LGA    S    56_A      S    56_A     1.856     0    0.131   0.566     2.723   77.143   70.476
LGA    S    57_A      S    57_A     1.599     0    0.160   0.579     2.431   77.143   75.794
LGA    F    58_A      F    58_A     1.189     0    0.025   0.103     2.643   79.286   73.074
LGA    F    59_A      F    59_A     1.329     0    0.027   0.344     1.539   79.286   81.472
LGA    K    60_A      K    60_A     1.617     0    0.448   0.883     3.358   69.286   64.339
LGA    L    61_A      L    61_A     2.210     0    0.066   0.261     6.819   70.952   48.512
LGA    P    62_A      P    62_A     1.551     0    0.191   0.459     5.173   77.143   60.204
LGA    V    63_A      V    63_A     1.548     0    0.053   0.071     1.668   77.143   75.306
LGA    V    64_A      V    64_A     1.666     0    0.066   0.110     1.699   72.857   72.857
LGA    F    65_A      F    65_A     1.358     0    0.087   0.412     2.471   83.690   79.307
LGA    F    66_A      F    66_A     1.043     0    0.046   1.334     6.647   81.429   57.662
LGA    R    67_A      R    67_A     1.334     0    0.307   1.066     5.429   75.119   53.333
LGA    V    68_A      V    68_A     4.564     0    0.034   0.055     7.401   40.357   28.367
LGA    T    69_A      T    69_A     3.331     0    0.158   0.909     4.775   53.810   45.850
LGA    D    70_A      D    70_A     3.639     0    0.600   0.826     4.899   43.690   44.583
LGA    N    71_A      N    71_A     3.000     0    0.030   1.254     5.619   57.143   45.417
LGA    V    72_A      V    72_A     2.165     0    0.068   0.156     2.431   66.786   65.918
LGA    I    73_A      I    73_A     1.450     0    0.062   0.681     1.846   79.286   78.214
LGA    V    74_A      V    74_A     0.823     0    0.047   0.075     1.168   88.214   87.891
LGA    I    75_A      I    75_A     0.669     0    0.004   1.091     2.441   90.476   81.845
LGA    L    76_A      L    76_A     0.772     0    0.046   0.641     2.513   83.810   79.583
LGA    L    77_A      L    77_A     1.030     0    0.033   1.377     3.658   83.690   71.964
LGA    T    78_A      T    78_A     1.020     0    0.068   0.150     1.178   81.429   84.014
LGA    N    79_A      N    79_A     0.892     0    0.028   1.295     3.199   90.476   78.988
LGA    E    80_A      E    80_A     1.139     0    0.068   1.109     2.013   85.952   81.693
LGA    K    81_A      K    81_A     1.982     0    0.583   1.358     6.287   73.333   47.989
LGA    E    82_A      E    82_A     3.189     0    0.595   0.484    11.519   67.143   33.386
LGA    N    83_A      N    83_A     0.981     0    0.089   1.114     5.307   83.690   61.786
LGA    I    84_A      I    84_A     1.948     0    0.036   0.095     3.252   75.000   64.286
LGA    I    85_A      I    85_A     2.054     0    0.024   0.914     3.718   70.833   61.369
LGA    L    86_A      L    86_A     1.369     0    0.061   1.165     2.724   79.286   76.250
LGA    S    87_A      S    87_A     0.958     0    0.050   0.620     1.629   88.214   83.095
LGA    M    88_A      M    88_A     0.893     0    0.029   1.134     6.983   85.952   61.310
LGA    F    89_A      F    89_A     2.207     0    0.020   0.174     4.820   64.881   50.303
LGA    E    90_A      E    90_A     2.699     0    0.031   0.445     4.941   60.952   52.910
LGA    L    91_A      L    91_A     1.615     0    0.040   1.423     4.876   77.143   65.179
LGA    F    92_A      F    92_A     1.249     0    0.040   1.534     7.920   77.143   48.355
LGA    S    93_A      S    93_A     3.286     0    0.017   0.504     4.181   50.119   46.825
LGA    T    94_A      T    94_A     3.434     0    0.182   0.219     4.221   55.476   48.503
LGA    Q    95_A      Q    95_A     2.199     0    0.122   0.430     2.635   62.857   67.513
LGA    F    96_A      F    96_A     2.122     0    0.205   1.485     8.365   66.786   40.779
LGA    A    97_A      A    97_A     2.494     0    0.240   0.236     3.767   75.357   68.952
LGA    E    98_A      E    98_A     1.180     0    0.035   1.067     3.929   77.262   67.143
LGA    K    99_A      K    99_A     2.325     0    0.088   0.190     6.266   63.333   46.825
LGA    L   100_A      L   100_A     3.182     0    0.164   0.234     6.413   61.071   43.274
LGA    A   101_A      A   101_A     0.798     0    0.216   0.212     1.604   83.810   85.143
LGA    L   102_A      L   102_A     2.287     0    0.024   0.076     4.158   64.881   55.000
LGA    E   103_A      E   103_A     2.883     0    0.045   1.112     4.910   59.048   49.735
LGA    Y   104_A      Y   104_A     1.609     0    0.519   0.571     3.706   63.452   72.579
LGA    P   105_A      P   105_A     2.042     0    0.200   0.521     3.552   61.667   64.286
LGA    R   106_A      R   106_A     5.430     0    0.374   1.294    15.466   30.238   12.987
LGA    T   107_A      T   107_A     4.595     0    0.640   0.533     7.889   21.786   20.272
LGA    Y   108_A      Y   108_A     9.467     0    0.664   1.407    11.545    3.214    1.587
LGA    E   109_A      E   109_A     9.548     0    0.659   0.608    10.949    0.476    0.529

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      109     436    436  100.00     875    875  100.00               109
SUMMARY(RMSD_GDC):     2.791          2.777                  3.736           65.603   57.349

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  109  109    4.0    101    2.24    68.578    65.995     4.309

LGA_LOCAL      RMSD:   2.244  Number of atoms:  101  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.852  Number of assigned atoms:  109 
Std_ASGN_ATOMS RMSD:   2.791  Standard rmsd on all 109 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.671141 * X  +  -0.268415 * Y  +   0.691030 * Z  +  24.031931
  Y_new =   0.719156 * X  +  -0.009457 * Y  +   0.694784 * Z  + -172.584396
  Z_new =  -0.179955 * X  +   0.963257 * Y  +   0.199380 * Z  + -71.710312 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.321672  0.180941  1.366693   [DEG:  133.0220   10.3672   78.3058 ]
ZXZ:  2.358903  1.370071 -0.184691   [DEG:  135.1552   78.4993  -10.5820 ]
 
# END of job
