
#######################################################
#                                                     #
#                        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       1.67     1.67
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   109       1_A - 109_A       1.67     1.67
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    59      50_A - 108_A       0.98     1.82
  LCS_AVERAGE:     43.04

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     37  109  109      5   76   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     P     2_A     P     2_A     37  109  109     33   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     I     3_A     I     3_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     I     4_A     I     4_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     E     5_A     E     5_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     N     6_A     N     6_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     C     7_A     C     7_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     A     8_A     A     8_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     A     9_A     A     9_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     F    10_A     F    10_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     I    11_A     I    11_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     E    12_A     E    12_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     K    13_A     K    13_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     T    14_A     T    14_A     37  109  109      9   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     M    15_A     M    15_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     S    16_A     S    16_A     37  109  109     55   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     K    17_A     K    17_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     Y    18_A     Y    18_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     A    19_A     A    19_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     I    20_A     I    20_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     T    21_A     T    21_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     L    22_A     L    22_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     S    23_A     S    23_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     D    24_A     D    24_A     37  109  109     57   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     G    25_A     G    25_A     37  109  109     50   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     T    26_A     T    26_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     I    27_A     I    27_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     L    28_A     L    28_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     K    29_A     K    29_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     S    30_A     S    30_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     T    31_A     T    31_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     I    32_A     I    32_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     K    33_A     K    33_A     37  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     N    34_A     N    34_A     37  109  109     11   57   85   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     E    35_A     E    35_A     37  109  109      7   29   77   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     T    36_A     T    36_A     37  109  109      6   16   76   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     L    37_A     L    37_A     37  109  109      3   20   77   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     K    38_A     K    38_A     17  109  109      3   16   40   86   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     K    39_A     K    39_A     17  109  109      7   14   24   50   85  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     T    40_A     T    40_A     17  109  109      7   13   40   86   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     F    41_A     F    41_A     17  109  109      8   27   78   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     P    42_A     P    42_A     17  109  109      6   16   24   40   71  100  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     I    43_A     I    43_A     17  109  109      6   12   25   47   81  101  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     L    44_A     L    44_A     17  109  109      6   26   86   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     K    45_A     K    45_A     17  109  109     14   63   85   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     N    46_A     N    46_A     17  109  109      5   22   73   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     L    47_A     L    47_A     17  109  109      7   76   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     L    48_A     L    48_A     17  109  109      5   12   33   89   97  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     K    49_A     K    49_A     53  109  109      5   11   15   20   84   97  104  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     D    50_A     D    50_A     59  109  109      3   54   81   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     Q    51_A     Q    51_A     59  109  109      4    4   42   75   92   96  101  105  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     I    52_A     I    52_A     59  109  109      4   38   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     P    53_A     P    53_A     59  109  109     36   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     T    54_A     T    54_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     G    55_A     G    55_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     S    56_A     S    56_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     S    57_A     S    57_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     F    58_A     F    58_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     F    59_A     F    59_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     K    60_A     K    60_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     L    61_A     L    61_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     P    62_A     P    62_A     59  109  109     57   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     V    63_A     V    63_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     V    64_A     V    64_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     F    65_A     F    65_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     F    66_A     F    66_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     R    67_A     R    67_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     V    68_A     V    68_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     T    69_A     T    69_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     D    70_A     D    70_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     N    71_A     N    71_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     V    72_A     V    72_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     I    73_A     I    73_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     V    74_A     V    74_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     I    75_A     I    75_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     L    76_A     L    76_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     L    77_A     L    77_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     T    78_A     T    78_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     N    79_A     N    79_A     59  109  109     14   50   86   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     E    80_A     E    80_A     59  109  109     50   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     K    81_A     K    81_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     E    82_A     E    82_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     N    83_A     N    83_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     I    84_A     I    84_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     I    85_A     I    85_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     L    86_A     L    86_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     S    87_A     S    87_A     59  109  109     65   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     M    88_A     M    88_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     F    89_A     F    89_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     E    90_A     E    90_A     59  109  109     61   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     L    91_A     L    91_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     F    92_A     F    92_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     S    93_A     S    93_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     T    94_A     T    94_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     Q    95_A     Q    95_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     F    96_A     F    96_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     A    97_A     A    97_A     59  109  109     66   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     E    98_A     E    98_A     59  109  109     64   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     K    99_A     K    99_A     59  109  109     59   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     L   100_A     L   100_A     59  109  109     64   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     A   101_A     A   101_A     59  109  109     38   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     L   102_A     L   102_A     59  109  109     33   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     E   103_A     E   103_A     59  109  109     33   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     Y   104_A     Y   104_A     59  109  109     29   82   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     P   105_A     P   105_A     59  109  109     27   79   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     R   106_A     R   106_A     59  109  109     27   75   87   94   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     T   107_A     T   107_A     59  109  109     24   66   87   92   99  102  105  106  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     Y   108_A     Y   108_A     59  109  109      3   39   76   90   94   99  103  105  108  108  108  108  109  109  109  109  109  109  109  109 
LCS_GDT     E   109_A     E   109_A     24  109  109      3    3    8    8   10   12   15   96  100  104  107  108  109  109  109  109  109  109  109  109 
LCS_AVERAGE  LCS_A:  81.01  (  43.04  100.00  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     66     82     87     94     99    102    105    106    108    108    108    108    109    109    109    109    109    109    109    109 
GDT PERCENT_AT  60.55  75.23  79.82  86.24  90.83  93.58  96.33  97.25  99.08  99.08  99.08  99.08 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.46   0.59   0.90   1.02   1.15   1.38   1.43   1.52   1.52   1.52   1.52   1.67   1.67   1.67   1.67   1.67   1.67   1.67   1.67
GDT RMS_ALL_AT   1.80   1.77   1.76   1.71   1.69   1.69   1.69   1.70   1.68   1.68   1.68   1.68   1.67   1.67   1.67   1.67   1.67   1.67   1.67   1.67

# Checking swapping
#   possible swapping detected:  E    12_A      E    12_A
#   possible swapping detected:  E    35_A      E    35_A
#   possible swapping detected:  F    41_A      F    41_A
#   possible swapping detected:  F    58_A      F    58_A
#   possible swapping detected:  F    59_A      F    59_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  E    90_A      E    90_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  E   103_A      E   103_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     2.118     0    0.050   0.050     2.118   68.810   68.810
LGA    P     2_A      P     2_A     1.520     0    0.014   0.146     2.067   79.405   75.442
LGA    I     3_A      I     3_A     0.731     0    0.080   0.920     2.872   90.476   79.881
LGA    I     4_A      I     4_A     0.760     0    0.054   0.871     2.632   90.476   82.976
LGA    E     5_A      E     5_A     0.781     0    0.015   0.958     5.327   92.857   71.587
LGA    N     6_A      N     6_A     0.462     0    0.017   0.067     0.862   97.619   94.048
LGA    C     7_A      C     7_A     0.346     0    0.019   0.049     0.380  100.000  100.000
LGA    A     8_A      A     8_A     0.404     0    0.057   0.068     0.441  100.000  100.000
LGA    A     9_A      A     9_A     0.200     0    0.048   0.046     0.475  100.000  100.000
LGA    F    10_A      F    10_A     0.140     0    0.013   0.054     0.465  100.000  100.000
LGA    I    11_A      I    11_A     0.132     0    0.010   0.071     0.296  100.000  100.000
LGA    E    12_A      E    12_A     0.402     0    0.015   0.057     0.860  100.000   96.825
LGA    K    13_A      K    13_A     0.566     0    0.110   1.307     6.643   90.595   70.000
LGA    T    14_A      T    14_A     0.864     0    0.093   1.012     2.479   90.476   82.993
LGA    M    15_A      M    15_A     0.570     0    0.034   0.290     0.767   90.476   91.667
LGA    S    16_A      S    16_A     1.097     0    0.072   0.135     1.725   85.952   81.587
LGA    K    17_A      K    17_A     0.678     0    0.012   1.000     3.739   90.476   83.439
LGA    Y    18_A      Y    18_A     0.542     0    0.044   0.086     0.838   90.476   90.476
LGA    A    19_A      A    19_A     0.560     0    0.041   0.055     0.737   95.238   94.286
LGA    I    20_A      I    20_A     0.465     0    0.031   0.032     0.660   92.857   91.667
LGA    T    21_A      T    21_A     0.845     0    0.031   0.075     1.198   90.476   87.891
LGA    L    22_A      L    22_A     0.864     0    0.033   0.065     1.007   90.476   89.345
LGA    S    23_A      S    23_A     0.562     0    0.054   0.065     0.695   90.476   92.063
LGA    D    24_A      D    24_A     0.468     0    0.116   0.159     1.154   92.857   90.536
LGA    G    25_A      G    25_A     0.740     0    0.036   0.036     0.903   90.476   90.476
LGA    T    26_A      T    26_A     0.832     0    0.019   0.046     0.934   90.476   90.476
LGA    I    27_A      I    27_A     0.959     0    0.027   0.096     1.242   88.214   84.821
LGA    L    28_A      L    28_A     0.806     0    0.011   0.037     0.832   90.476   90.476
LGA    K    29_A      K    29_A     0.622     0    0.024   0.415     2.021   90.476   87.672
LGA    S    30_A      S    30_A     0.893     0    0.047   0.124     1.188   90.476   87.460
LGA    T    31_A      T    31_A     0.972     0    0.064   0.098     1.139   90.476   89.184
LGA    I    32_A      I    32_A     0.699     0    0.083   0.128     1.031   88.214   92.917
LGA    K    33_A      K    33_A     0.856     0    0.104   0.700     5.897   92.857   71.799
LGA    N    34_A      N    34_A     1.656     0    0.045   0.203     3.244   72.976   64.226
LGA    E    35_A      E    35_A     2.224     0    0.013   0.664     2.900   64.881   64.815
LGA    T    36_A      T    36_A     2.070     0    0.061   0.073     2.542   64.881   67.143
LGA    L    37_A      L    37_A     1.864     0    0.041   1.378     2.638   66.905   71.131
LGA    K    38_A      K    38_A     3.206     0    0.026   0.806     9.891   46.905   29.259
LGA    K    39_A      K    39_A     4.278     0    0.108   0.201     5.500   37.262   32.275
LGA    T    40_A      T    40_A     3.061     0    0.100   0.258     3.411   53.571   55.170
LGA    F    41_A      F    41_A     2.128     0    0.086   1.072     5.443   62.857   50.519
LGA    P    42_A      P    42_A     4.669     0    0.034   0.280     6.916   37.262   30.136
LGA    I    43_A      I    43_A     4.425     0    0.067   0.086     6.872   43.571   31.548
LGA    L    44_A      L    44_A     1.794     0    0.077   1.421     5.833   77.738   58.571
LGA    K    45_A      K    45_A     1.513     0    0.026   0.783     3.701   77.262   63.069
LGA    N    46_A      N    46_A     2.310     0    0.039   0.871     6.674   73.095   50.417
LGA    L    47_A      L    47_A     1.316     0    0.021   0.140     4.661   79.286   62.381
LGA    L    48_A      L    48_A     2.776     0    0.035   0.041     4.834   54.286   48.155
LGA    K    49_A      K    49_A     4.003     0    0.066   0.815     9.546   40.476   27.302
LGA    D    50_A      D    50_A     2.087     0    0.076   0.206     6.064   73.452   52.619
LGA    Q    51_A      Q    51_A     4.596     0    0.319   0.825    11.241   37.976   19.206
LGA    I    52_A      I    52_A     2.253     0    0.112   1.140     3.383   69.048   65.060
LGA    P    53_A      P    53_A     0.854     0    0.044   0.078     1.520   88.214   85.374
LGA    T    54_A      T    54_A     0.329     0    0.009   0.050     0.508   97.619   98.639
LGA    G    55_A      G    55_A     0.763     0    0.047   0.047     0.925   90.476   90.476
LGA    S    56_A      S    56_A     0.838     0    0.040   0.712     2.973   90.476   84.921
LGA    S    57_A      S    57_A     0.859     0    0.052   0.071     1.048   88.214   87.460
LGA    F    58_A      F    58_A     0.690     0    0.048   0.126     0.876   90.476   91.342
LGA    F    59_A      F    59_A     1.095     0    0.074   0.134     1.233   83.690   82.251
LGA    K    60_A      K    60_A     1.035     0    0.037   0.690     3.081   85.952   79.947
LGA    L    61_A      L    61_A     0.666     0    0.019   0.188     1.260   90.476   88.214
LGA    P    62_A      P    62_A     0.676     0    0.109   0.117     0.810   90.476   90.476
LGA    V    63_A      V    63_A     0.702     0    0.037   0.054     0.790   90.476   90.476
LGA    V    64_A      V    64_A     0.700     0    0.036   0.137     0.953   90.476   90.476
LGA    F    65_A      F    65_A     0.524     0    0.012   0.111     0.834   90.476   91.342
LGA    F    66_A      F    66_A     0.467     0    0.036   0.065     0.518   97.619   98.268
LGA    R    67_A      R    67_A     0.299     0    0.043   0.280     1.563  100.000   92.424
LGA    V    68_A      V    68_A     0.226     0    0.054   1.213     2.607  100.000   87.483
LGA    T    69_A      T    69_A     0.355     0    0.010   0.063     0.448  100.000  100.000
LGA    D    70_A      D    70_A     0.641     0    0.047   0.260     1.744   90.476   87.143
LGA    N    71_A      N    71_A     0.590     0    0.154   1.132     4.289   90.476   77.381
LGA    V    72_A      V    72_A     0.448     0    0.024   0.027     0.476  100.000  100.000
LGA    I    73_A      I    73_A     0.417     0    0.023   0.593     1.339  100.000   96.488
LGA    V    74_A      V    74_A     0.403     0    0.014   0.065     0.635  100.000   98.639
LGA    I    75_A      I    75_A     0.495     0    0.021   0.038     0.628   97.619   95.238
LGA    L    76_A      L    76_A     0.639     0    0.038   0.050     0.821   90.476   91.667
LGA    L    77_A      L    77_A     0.572     0    0.098   0.088     0.817   90.476   91.667
LGA    T    78_A      T    78_A     0.846     0    0.008   0.049     1.089   85.952   87.891
LGA    N    79_A      N    79_A     1.579     0    0.047   1.176     5.840   79.286   60.714
LGA    E    80_A      E    80_A     0.958     0    0.022   0.561     2.312   83.690   78.730
LGA    K    81_A      K    81_A     1.332     0    0.043   0.959     6.951   83.690   64.074
LGA    E    82_A      E    82_A     1.039     0    0.029   0.175     1.190   85.952   86.455
LGA    N    83_A      N    83_A     1.085     0    0.014   0.250     1.795   85.952   83.750
LGA    I    84_A      I    84_A     0.513     0    0.039   0.677     2.971   90.476   88.690
LGA    I    85_A      I    85_A     0.598     0    0.009   0.031     0.682   90.476   90.476
LGA    L    86_A      L    86_A     0.915     0    0.066   0.085     1.125   90.476   89.345
LGA    S    87_A      S    87_A     0.936     0    0.013   0.038     1.023   90.476   88.968
LGA    M    88_A      M    88_A     0.769     0    0.016   0.105     0.845   90.476   90.476
LGA    F    89_A      F    89_A     0.762     0    0.027   0.078     0.858   90.476   90.476
LGA    E    90_A      E    90_A     0.869     0    0.025   0.518     3.046   90.476   83.016
LGA    L    91_A      L    91_A     0.687     0    0.020   1.403     3.310   90.476   79.048
LGA    F    92_A      F    92_A     0.315     0    0.016   0.084     0.480  100.000  100.000
LGA    S    93_A      S    93_A     0.285     0    0.047   0.061     0.558  100.000   98.413
LGA    T    94_A      T    94_A     0.367     0    0.052   0.104     0.474  100.000  100.000
LGA    Q    95_A      Q    95_A     0.434     0    0.031   0.084     0.484  100.000  100.000
LGA    F    96_A      F    96_A     0.305     0    0.043   0.068     0.330  100.000  100.000
LGA    A    97_A      A    97_A     0.267     0    0.036   0.040     0.520   97.619   98.095
LGA    E    98_A      E    98_A     0.568     0    0.034   0.747     3.719   92.857   79.577
LGA    K    99_A      K    99_A     0.765     0    0.037   0.292     1.093   90.476   89.471
LGA    L   100_A      L   100_A     0.613     0    0.022   0.032     0.930   90.476   95.238
LGA    A   101_A      A   101_A     1.052     0    0.011   0.019     1.393   83.690   83.238
LGA    L   102_A      L   102_A     1.321     0    0.033   0.060     1.709   79.286   80.357
LGA    E   103_A      E   103_A     1.483     0    0.014   0.738     2.096   77.143   75.767
LGA    Y   104_A      Y   104_A     1.538     0    0.032   0.045     1.592   77.143   77.857
LGA    P   105_A      P   105_A     1.835     0    0.008   0.039     2.128   70.833   69.388
LGA    R   106_A      R   106_A     2.210     0    0.108   1.154     7.667   63.095   47.922
LGA    T   107_A      T   107_A     2.819     0    0.014   0.032     3.321   55.476   57.279
LGA    Y   108_A      Y   108_A     4.120     0    0.447   1.226     9.763   37.262   23.770
LGA    E   109_A      E   109_A     7.818     0    0.649   1.129    14.631    5.833    2.698

# 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):     1.673          1.673                  2.455           83.766   79.383

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  109  109    4.0    106    1.43    89.679    94.069     6.950

LGA_LOCAL      RMSD:   1.425  Number of atoms:  106  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.699  Number of assigned atoms:  109 
Std_ASGN_ATOMS RMSD:   1.673  Standard rmsd on all 109 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.642361 * X  +   0.620115 * Y  +  -0.450367 * Z  +  13.596951
  Y_new =   0.534833 * X  +   0.058185 * Y  +   0.842952 * Z  +   7.527448
  Z_new =   0.548932 * X  +  -0.782350 * Y  +  -0.294282 * Z  +  14.303481 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.694309 -0.581086 -1.930576   [DEG:   39.7810  -33.2938 -110.6139 ]
ZXZ: -2.650904  1.869501  2.529764   [DEG: -151.8856  107.1145  144.9448 ]
 
# END of job
