
#######################################################
#                                                     #
#                        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  126 ( 1012),  selected  126 , name one
# Molecule2: number of CA atoms  132 ( 1072),  selected  126 , 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:   126       7_A - 132_A       2.54     2.54
  LCS_AVERAGE:     95.45

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       9_A - 132_A       1.75     2.59
  LCS_AVERAGE:     92.50

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      12_A - 85_A        0.99     2.80
  LCS_AVERAGE:     53.36

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     E     7_A     E     7_A      3    4  126      3    3    3    3    3    4    5    7   10   10   18   26   29   36   47   59   78   99  117  126 
LCS_GDT     N     8_A     N     8_A      3    4  126      3    3    3    3    3    4   15   17   50   84   94  113  118  124  125  125  125  125  125  126 
LCS_GDT     L     9_A     L     9_A      3  124  126      3    3    3    3    3    4   15   36   90   97  114  122  124  124  125  125  125  125  125  126 
LCS_GDT     Y    10_A     Y    10_A      3  124  126      3    3    3    4    5    7   15   39   90   97  114  118  124  124  125  125  125  125  125  126 
LCS_GDT     F    11_A     F    11_A      3  124  126      3    3   15   25   39   54   85  110  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     Q    12_A     Q    12_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     S    13_A     S    13_A     74  124  126     37   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     S    14_A     S    14_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     A    15_A     A    15_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     K    16_A     K    16_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     Q    17_A     Q    17_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     D    18_A     D    18_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     F    19_A     F    19_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     A    20_A     A    20_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     E    21_A     E    21_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     G    22_A     G    22_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     V    23_A     V    23_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     K    24_A     K    24_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     L    25_A     L    25_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     W    26_A     W    26_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     Q    27_A     Q    27_A     74  124  126     38   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     E    28_A     E    28_A     74  124  126     38   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     N    29_A     N    29_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     A    30_A     A    30_A     74  124  126     38   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     V    31_A     V    31_A     74  124  126     38   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     L    32_A     L    32_A     74  124  126     38   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     W    33_A     W    33_A     74  124  126     35   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     T    34_A     T    34_A     74  124  126     38   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     R    35_A     R    35_A     74  124  126     37   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     L    36_A     L    36_A     74  124  126     35   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     V    37_A     V    37_A     74  124  126     38   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     Q    38_A     Q    38_A     74  124  126     38   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     A    39_A     A    39_A     74  124  126     38   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     F    40_A     F    40_A     74  124  126     38   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     Q    41_A     Q    41_A     74  124  126     38   78  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     S    42_A     S    42_A     74  124  126     41   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     G    43_A     G    43_A     74  124  126     38   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     D    44_A     D    44_A     74  124  126     38   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     Q    45_A     Q    45_A     74  124  126     31   71  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     S    46_A     S    46_A     74  124  126     26   68  105  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     T    47_A     T    47_A     74  124  126     38   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     V    48_A     V    48_A     74  124  126     31   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     D    49_A     D    49_A     74  124  126     38   71  105  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     S    50_A     S    50_A     74  124  126     38   78  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     L    51_A     L    51_A     74  124  126     38   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     L    52_A     L    52_A     74  124  126     38   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     K    53_A     K    53_A     74  124  126     38   80  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     Q    54_A     Q    54_A     74  124  126     38   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     L    55_A     L    55_A     74  124  126     38   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     D    56_A     D    56_A     74  124  126     38   80  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     A    57_A     A    57_A     74  124  126     38   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     N    58_A     N    58_A     74  124  126     40   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     A    59_A     A    59_A     74  124  126     38   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     A    60_A     A    60_A     74  124  126     36   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     R    61_A     R    61_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     V    62_A     V    62_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     E    63_A     E    63_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     Q    64_A     Q    64_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     L    65_A     L    65_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     L    66_A     L    66_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     Q    67_A     Q    67_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     R    68_A     R    68_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     I    69_A     I    69_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     I    70_A     I    70_A     74  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     S    71_A     S    71_A     74  124  126     44   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     E    72_A     E    72_A     74  124  126     27   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     T    73_A     T    73_A     74  124  126     24   78  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     G    74_A     G    74_A     74  124  126     24   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     D    75_A     D    75_A     74  124  126     14   25  106  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     E    76_A     E    76_A     74  124  126     14   36  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     L    77_A     L    77_A     74  124  126     14   69  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     A    78_A     A    78_A     74  124  126     14   58  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     R    79_A     R    79_A     74  124  126     11   43  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     K    80_A     K    80_A     74  124  126     11   71  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     G    81_A     G    81_A     74  124  126     10   66  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     E    82_A     E    82_A     74  124  126     10   36  109  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     S    83_A     S    83_A     74  124  126     14   36  105  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     L    84_A     L    84_A     74  124  126     14   58  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     F    85_A     F    85_A     74  124  126     10   41  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     Q    86_A     Q    86_A     72  124  126     14   58  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     R    87_A     R    87_A     72  124  126     14   58  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     N    88_A     N    88_A     72  124  126     14   58  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     Q    89_A     Q    89_A     72  124  126     14   58  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     Q    90_A     Q    90_A     72  124  126     14   69  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     L    91_A     L    91_A     72  124  126     14   69  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     F    92_A     F    92_A     72  124  126     14   59  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     S    93_A     S    93_A     72  124  126     14   54  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     Q    94_A     Q    94_A     72  124  126     14   78  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     L    95_A     L    95_A     72  124  126     14   66  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     K    96_A     K    96_A     72  124  126     14   45  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     T    97_A     T    97_A     72  124  126     14   67  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     L    98_A     L    98_A     72  124  126     14   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     F    99_A     F    99_A     72  124  126     14   67  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     S   100_A     S   100_A     72  124  126     14   25  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     Q   101_A     Q   101_A     72  124  126     14   68  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     G   102_A     G   102_A     72  124  126     13   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     D   103_A     D   103_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     E   104_A     E   104_A     72  124  126     22   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     D   105_A     D   105_A     72  124  126     30   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     T   106_A     T   106_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     A   107_A     A   107_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     K   108_A     K   108_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     A   109_A     A   109_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     V   110_A     V   110_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     L   111_A     L   111_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     E   112_A     E   112_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     E   113_A     E   113_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     I   114_A     I   114_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     Q   115_A     Q   115_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     S   116_A     S   116_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     N   117_A     N   117_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     L   118_A     L   118_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     N   119_A     N   119_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     Q   120_A     Q   120_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     I   121_A     I   121_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     Q   122_A     Q   122_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     Q   123_A     Q   123_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     I   124_A     I   124_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     I   125_A     I   125_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     T   126_A     T   126_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     E   127_A     E   127_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     A   128_A     A   128_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     Q   129_A     Q   129_A     72  124  126     27   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     K   130_A     K   130_A     72  124  126     18   75  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     R   131_A     R   131_A     72  124  126     46   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_GDT     L   132_A     L   132_A     72  124  126     35   81  110  121  121  121  121  121  121  122  122  122  124  124  125  125  125  125  125  126 
LCS_AVERAGE  LCS_A:  80.44  (  53.36   92.50   95.45 )

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     46     81    110    121    121    121    121    121    121    122    122    122    124    124    125    125    125    125    125    126 
GDT PERCENT_AT  34.85  61.36  83.33  91.67  91.67  91.67  91.67  91.67  91.67  92.42  92.42  92.42  93.94  93.94  94.70  94.70  94.70  94.70  94.70  95.45
GDT RMS_LOCAL    0.33   0.59   0.90   1.01   1.01   1.01   1.01   1.01   1.01   1.22   1.22   1.22   1.75   1.75   2.04   2.04   2.04   2.04   2.04   2.54
GDT RMS_ALL_AT   2.69   2.70   2.72   2.72   2.72   2.72   2.72   2.72   2.72   2.68   2.68   2.68   2.59   2.59   2.56   2.56   2.56   2.56   2.56   2.54

# Checking swapping
#   possible swapping detected:  Y    10_A      Y    10_A
#   possible swapping detected:  E    21_A      E    21_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  D    75_A      D    75_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  F    99_A      F    99_A
#   possible swapping detected:  D   103_A      D   103_A
#   possible swapping detected:  E   113_A      E   113_A
#   possible swapping detected:  E   127_A      E   127_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_A      E     7_A    18.918     0    0.508   0.458    22.727    0.000    0.000
LGA    N     8_A      N     8_A    12.916     0    0.546   0.851    15.076    0.000    0.000
LGA    L     9_A      L     9_A    10.543     0    0.645   0.622    13.362    0.119    0.060
LGA    Y    10_A      Y    10_A    10.612     0    0.430   1.347    20.829    1.071    0.357
LGA    F    11_A      F    11_A     7.890     0    0.609   0.497    16.645   13.333    4.978
LGA    Q    12_A      Q    12_A     0.721     0    0.601   1.017     4.492   80.357   66.138
LGA    S    13_A      S    13_A     0.790     0    0.070   0.655     1.302   90.476   87.460
LGA    S    14_A      S    14_A     0.643     0    0.072   0.643     2.333   95.238   89.365
LGA    A    15_A      A    15_A     0.399     0    0.021   0.022     0.486  100.000  100.000
LGA    K    16_A      K    16_A     0.404     0    0.011   0.785     4.004  100.000   81.270
LGA    Q    17_A      Q    17_A     0.316     0    0.006   1.434     5.073  100.000   76.032
LGA    D    18_A      D    18_A     0.388     0    0.020   0.047     0.485  100.000  100.000
LGA    F    19_A      F    19_A     0.351     0    0.033   0.049     0.540  100.000   98.268
LGA    A    20_A      A    20_A     0.147     0    0.011   0.016     0.243  100.000  100.000
LGA    E    21_A      E    21_A     0.323     0    0.047   0.995     4.030  100.000   77.989
LGA    G    22_A      G    22_A     0.318     0    0.003   0.003     0.323  100.000  100.000
LGA    V    23_A      V    23_A     0.159     0    0.021   0.034     0.254  100.000  100.000
LGA    K    24_A      K    24_A     0.276     0    0.057   1.006     5.492   97.619   75.926
LGA    L    25_A      L    25_A     0.359     0    0.012   0.047     0.646  100.000   96.429
LGA    W    26_A      W    26_A     0.214     0    0.039   1.251     9.194   97.619   50.068
LGA    Q    27_A      Q    27_A     0.677     0    0.032   0.103     1.047   92.857   90.529
LGA    E    28_A      E    28_A     0.665     0    0.026   0.665     3.036   95.238   76.984
LGA    N    29_A      N    29_A     0.249     0    0.026   0.081     0.392  100.000  100.000
LGA    A    30_A      A    30_A     0.766     0    0.014   0.015     0.964   90.476   90.476
LGA    V    31_A      V    31_A     0.839     0    0.012   0.013     0.990   90.476   90.476
LGA    L    32_A      L    32_A     0.587     0    0.009   0.030     0.699   90.476   94.048
LGA    W    33_A      W    33_A     0.743     0    0.011   1.184     8.498   90.476   48.980
LGA    T    34_A      T    34_A     0.944     0    0.023   0.033     1.204   88.214   86.599
LGA    R    35_A      R    35_A     0.826     0    0.005   1.651     8.590   90.476   55.758
LGA    L    36_A      L    36_A     0.805     0    0.022   0.780     2.299   90.476   85.060
LGA    V    37_A      V    37_A     1.089     0    0.027   0.028     1.403   83.690   82.721
LGA    Q    38_A      Q    38_A     1.035     0    0.018   0.121     1.724   85.952   80.582
LGA    A    39_A      A    39_A     0.446     0    0.026   0.032     0.658   95.238   96.190
LGA    F    40_A      F    40_A     0.947     0    0.044   0.155     1.388   88.214   83.896
LGA    Q    41_A      Q    41_A     1.161     0    0.031   0.047     2.602   85.952   76.085
LGA    S    42_A      S    42_A     0.434     0    0.097   0.630     2.606   95.238   88.095
LGA    G    43_A      G    43_A     0.798     0    0.028   0.028     1.276   90.595   90.595
LGA    D    44_A      D    44_A     0.872     0    0.079   0.093     1.435   85.952   84.821
LGA    Q    45_A      Q    45_A     1.669     0    0.027   0.866     3.093   75.000   68.624
LGA    S    46_A      S    46_A     1.944     0    0.059   0.674     2.182   75.000   72.937
LGA    T    47_A      T    47_A     1.173     0    0.012   0.017     1.423   83.690   84.014
LGA    V    48_A      V    48_A     1.086     0    0.000   0.043     1.571   81.429   80.204
LGA    D    49_A      D    49_A     1.746     0    0.012   0.826     4.709   72.857   60.119
LGA    S    50_A      S    50_A     1.591     0    0.017   0.024     1.885   77.143   75.714
LGA    L    51_A      L    51_A     0.885     0    0.030   0.054     1.137   88.214   90.536
LGA    L    52_A      L    52_A     1.266     0    0.011   0.043     1.501   79.286   80.357
LGA    K    53_A      K    53_A     1.586     0    0.010   0.597     2.377   77.143   73.915
LGA    Q    54_A      Q    54_A     1.190     0    0.014   0.047     1.458   81.429   81.429
LGA    L    55_A      L    55_A     0.930     0    0.011   0.077     1.115   85.952   88.214
LGA    D    56_A      D    56_A     1.488     0    0.010   0.063     1.819   79.286   76.071
LGA    A    57_A      A    57_A     1.452     0    0.013   0.015     1.483   81.429   81.429
LGA    N    58_A      N    58_A     0.878     0    0.015   0.069     1.046   88.214   89.345
LGA    A    59_A      A    59_A     1.106     0    0.015   0.016     1.234   81.429   81.429
LGA    A    60_A      A    60_A     1.307     0    0.023   0.026     1.535   83.690   81.524
LGA    R    61_A      R    61_A     0.608     0    0.011   1.609     8.689   92.857   56.407
LGA    V    62_A      V    62_A     0.602     0    0.051   1.118     3.012   90.476   81.020
LGA    E    63_A      E    63_A     0.785     0    0.017   0.893     3.168   90.476   81.164
LGA    Q    64_A      Q    64_A     0.916     0    0.015   0.076     1.797   90.476   85.503
LGA    L    65_A      L    65_A     0.592     0    0.027   0.054     0.679   90.476   92.857
LGA    L    66_A      L    66_A     0.703     0    0.025   1.408     3.178   90.476   77.143
LGA    Q    67_A      Q    67_A     0.719     0    0.017   0.230     0.932   90.476   90.476
LGA    R    68_A      R    68_A     0.634     0    0.014   0.032     0.678   90.476   91.342
LGA    I    69_A      I    69_A     0.636     0    0.038   0.052     0.696   90.476   90.476
LGA    I    70_A      I    70_A     0.677     0    0.009   0.041     0.871   90.476   90.476
LGA    S    71_A      S    71_A     0.539     0    0.116   0.113     0.561   92.857   92.063
LGA    E    72_A      E    72_A     0.625     0    0.151   0.926     4.122   90.476   78.201
LGA    T    73_A      T    73_A     0.945     0    0.116   1.121     3.489   90.476   79.728
LGA    G    74_A      G    74_A     0.881     0    0.129   0.129     1.369   85.952   85.952
LGA    D    75_A      D    75_A     2.064     0    0.113   0.784     4.224   70.833   58.869
LGA    E    76_A      E    76_A     1.632     0    0.027   0.862     5.194   77.143   60.423
LGA    L    77_A      L    77_A     1.273     0    0.032   1.382     2.775   81.429   75.357
LGA    A    78_A      A    78_A     1.481     0    0.025   0.028     1.599   81.429   79.714
LGA    R    79_A      R    79_A     1.532     0    0.032   1.512     7.931   75.000   50.130
LGA    K    80_A      K    80_A     1.208     0    0.035   0.052     1.316   81.429   81.429
LGA    G    81_A      G    81_A     1.333     0    0.089   0.089     1.609   79.286   79.286
LGA    E    82_A      E    82_A     1.749     0    0.010   0.054     2.085   70.833   70.159
LGA    S    83_A      S    83_A     1.943     0    0.058   0.670     3.143   72.857   69.048
LGA    L    84_A      L    84_A     1.633     0    0.014   1.370     2.688   72.857   72.083
LGA    F    85_A      F    85_A     1.694     0    0.038   0.810     4.469   72.857   63.377
LGA    Q    86_A      Q    86_A     1.456     0    0.036   0.175     1.562   79.286   79.524
LGA    R    87_A      R    87_A     1.527     0    0.013   1.424     8.446   72.857   48.918
LGA    N    88_A      N    88_A     1.637     0    0.009   0.834     1.845   72.857   76.131
LGA    Q    89_A      Q    89_A     1.439     0    0.028   1.510     4.729   79.286   69.418
LGA    Q    90_A      Q    90_A     1.416     0    0.023   0.078     1.477   81.429   81.429
LGA    L    91_A      L    91_A     1.301     0    0.064   0.109     1.409   81.429   81.429
LGA    F    92_A      F    92_A     1.429     0    0.050   1.269     5.653   81.429   62.554
LGA    S    93_A      S    93_A     1.437     0    0.080   0.682     2.070   81.429   77.222
LGA    Q    94_A      Q    94_A     0.929     0    0.022   0.892     3.823   88.214   76.032
LGA    L    95_A      L    95_A     1.333     0    0.018   1.391     2.848   81.429   76.369
LGA    K    96_A      K    96_A     1.489     0    0.015   0.811     4.856   81.429   68.571
LGA    T    97_A      T    97_A     1.236     0    0.024   0.024     1.305   81.429   81.429
LGA    L    98_A      L    98_A     0.828     0    0.021   0.079     1.010   88.214   92.917
LGA    F    99_A      F    99_A     1.330     0    0.062   0.347     2.027   81.429   77.576
LGA    S   100_A      S   100_A     1.506     0    0.019   0.033     1.725   77.143   75.714
LGA    Q   101_A      Q   101_A     1.229     0    0.003   0.066     1.534   81.429   81.481
LGA    G   102_A      G   102_A     0.906     0    0.039   0.039     0.962   90.476   90.476
LGA    D   103_A      D   103_A     0.454     0    0.144   0.540     2.056   95.238   86.310
LGA    E   104_A      E   104_A     1.045     0    0.024   0.044     2.219   88.214   78.836
LGA    D   105_A      D   105_A     0.657     0    0.026   0.050     1.328   92.857   89.405
LGA    T   106_A      T   106_A     0.367     0    0.032   0.092     0.464  100.000  100.000
LGA    A   107_A      A   107_A     0.453     0    0.018   0.019     0.497  100.000  100.000
LGA    K   108_A      K   108_A     0.531     0    0.018   0.061     0.667   90.476   91.534
LGA    A   109_A      A   109_A     0.454     0    0.022   0.025     0.497  100.000  100.000
LGA    V   110_A      V   110_A     0.327     0    0.014   0.043     0.489  100.000  100.000
LGA    L   111_A      L   111_A     0.486     0    0.024   0.054     0.523   97.619   97.619
LGA    E   112_A      E   112_A     0.528     0    0.008   0.052     0.834   92.857   91.534
LGA    E   113_A      E   113_A     0.529     0    0.022   0.813     2.907   90.476   75.661
LGA    I   114_A      I   114_A     0.472     0    0.031   0.061     0.520   97.619   98.810
LGA    Q   115_A      Q   115_A     0.366     0    0.039   0.706     3.847  100.000   80.106
LGA    S   116_A      S   116_A     0.564     0    0.066   0.675     2.630   90.476   84.921
LGA    N   117_A      N   117_A     0.463     0    0.017   0.584     1.865  100.000   93.036
LGA    L   118_A      L   118_A     0.448     0    0.027   0.033     0.568  100.000   98.810
LGA    N   119_A      N   119_A     0.443     0    0.023   0.034     0.560   97.619   95.238
LGA    Q   120_A      Q   120_A     0.403     0    0.007   0.229     1.014  100.000   95.820
LGA    I   121_A      I   121_A     0.434     0    0.025   0.054     0.436  100.000  100.000
LGA    Q   122_A      Q   122_A     0.512     0    0.027   1.376     6.584   97.619   69.524
LGA    Q   123_A      Q   123_A     0.593     0    0.018   0.059     1.153   90.476   89.471
LGA    I   124_A      I   124_A     0.365     0    0.020   0.626     2.022  100.000   93.214
LGA    I   125_A      I   125_A     0.469     0    0.013   0.060     0.823   95.238   92.857
LGA    T   126_A      T   126_A     0.763     0    0.009   0.022     1.057   90.476   89.184
LGA    E   127_A      E   127_A     0.662     0    0.030   1.065     4.293   90.476   74.286
LGA    A   128_A      A   128_A     0.532     0    0.017   0.017     0.739   90.476   92.381
LGA    Q   129_A      Q   129_A     1.102     0    0.017   0.099     1.737   83.690   79.577
LGA    K   130_A      K   130_A     1.331     0    0.028   0.047     2.762   81.429   73.122
LGA    R   131_A      R   131_A     0.750     0    0.042   0.611     2.918   90.476   76.710
LGA    L   132_A      L   132_A     1.091     0    0.115   1.387     5.797   64.762   52.143

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00    1012   1012  100.00               132
SUMMARY(RMSD_GDC):     2.538          2.439                  3.427           80.982   75.319

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  132    4.0    121    1.01    84.848    89.279    10.929

LGA_LOCAL      RMSD:   1.007  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.722  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.538  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.746353 * X  +  -0.608490 * Y  +   0.269623 * Z  +  10.310757
  Y_new =   0.328788 * X  +  -0.689323 * Y  +  -0.645548 * Z  +  16.908798
  Z_new =   0.578667 * X  +  -0.393158 * Y  +   0.714543 * Z  +   2.349247 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.726646 -0.617094 -0.503015   [DEG:  156.2253  -35.3569  -28.8206 ]
ZXZ:  0.395642  0.774826  2.167576   [DEG:   22.6686   44.3943  124.1930 ]
 
# END of job
