
#######################################################
#                                                     #
#                        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  132 ( 1072),  selected  123 , name one
# Molecule2: number of CA atoms  123 (  980),  selected  123 , 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:   123      10_A - 132_A       4.78     4.78
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      15_A - 132_A       1.90     5.09
  LCS_AVERAGE:     92.27

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   115      18_A - 132_A       0.96     5.29
  LCS_AVERAGE:     87.64

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  123
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     H    10_A     H    10_A      3    7  123      3    3    4    5    7    8    9   12   13   13   15   16   18   18   21   23   24   26   37   41 
LCS_GDT     S    11_A     S    11_A      3    7  123      3    3    4    5    7    8   10   12   13   16   17   19   24   35   39   44   46   50   60   66 
LCS_GDT     S    12_A     S    12_A      3    7  123      3    3    4    4    7    8   10   12   13   16   18   26   33   35   41   49   56   60   77   89 
LCS_GDT     G    13_A     G    13_A      5    7  123      3    5    5    6    7    8   10   12   13   16   17   26   33   35   39   45   53   60   78   89 
LCS_GDT     L    14_A     L    14_A      5    7  123      3    5    5    6    7    8   10   12   13   15   23   33   51   54   67   86  101  106  115  116 
LCS_GDT     V    15_A     V    15_A      5  118  123      3    5    6   13   21   27   32   34   45   64   84   94  105  111  117  118  118  118  118  118 
LCS_GDT     P    16_A     P    16_A      5  118  123      3    5   20   31   41   57   77   90  108  113  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     R    17_A     R    17_A      5  118  123      4    5    5    6   29   54   77   93  111  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     G    18_A     G    18_A    115  118  123      4    4    5    6    7    8   10   12   49   91  113  117  117  117  117  118  118  118  118  118 
LCS_GDT     S    19_A     S    19_A    115  118  123      4   34  111  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     H    20_A     H    20_A    115  118  123      7   25   71  106  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     M    21_A     M    21_A    115  118  123     24   96  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     Q    22_A     Q    22_A    115  118  123     24  108  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     E    23_A     E    23_A    115  118  123     48  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     E    24_A     E    24_A    115  118  123     83  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     E    25_A     E    25_A    115  118  123     78  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     F    26_A     F    26_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     H    27_A     H    27_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     K    28_A     K    28_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     L    29_A     L    29_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     A    30_A     A    30_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     N    31_A     N    31_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     F    32_A     F    32_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     T    33_A     T    33_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     I    34_A     I    34_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     N    35_A     N    35_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     H    36_A     H    36_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     L    37_A     L    37_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     L    38_A     L    38_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     E    39_A     E    39_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     K    40_A     K    40_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     I    41_A     I    41_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     E    42_A     E    42_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     D    43_A     D    43_A    115  118  123     49  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     Y    44_A     Y    44_A    115  118  123     61  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     G    45_A     G    45_A    115  118  123     49  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     D    46_A     D    46_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     N    47_A     N    47_A    115  118  123     61  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     V    48_A     V    48_A    115  118  123     17  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     Q    49_A     Q    49_A    115  118  123     41  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     I    50_A     I    50_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     D    51_A     D    51_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     G    52_A     G    52_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     F    53_A     F    53_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     D    54_A     D    54_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     I    55_A     I    55_A    115  118  123     74  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     D    56_A     D    56_A    115  118  123     17   99  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     Y    57_A     Y    57_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     G    58_A     G    58_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     N    59_A     N    59_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     E    60_A     E    60_A    115  118  123     41  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     V    61_A     V    61_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     L    62_A     L    62_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     T    63_A     T    63_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     L    64_A     L    64_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     K    65_A     K    65_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     L    66_A     L    66_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     G    67_A     G    67_A    115  118  123     79  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     S    68_A     S    68_A    115  118  123     35  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     L    69_A     L    69_A    115  118  123     35  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     G    70_A     G    70_A    115  118  123     73  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     T    71_A     T    71_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     Y    72_A     Y    72_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     V    73_A     V    73_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     L    74_A     L    74_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     N    75_A     N    75_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     K    76_A     K    76_A    115  118  123     64  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     Q    77_A     Q    77_A    115  118  123     58  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     T    78_A     T    78_A    115  118  123     84  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     P    79_A     P    79_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     N    80_A     N    80_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     R    81_A     R    81_A    115  118  123     84  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     Q    82_A     Q    82_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     I    83_A     I    83_A    115  118  123     84  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     W    84_A     W    84_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     M    85_A     M    85_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     S    86_A     S    86_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     S    87_A     S    87_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     P    88_A     P    88_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     V    89_A     V    89_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     S    90_A     S    90_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     G    91_A     G    91_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     P    92_A     P    92_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     S    93_A     S    93_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     R    94_A     R    94_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     F    95_A     F    95_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     D    96_A     D    96_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     W    97_A     W    97_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     D    98_A     D    98_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     R    99_A     R    99_A    115  118  123     13  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     D   100_A     D   100_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     A   101_A     A   101_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     N   102_A     N   102_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     A   103_A     A   103_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     W   104_A     W   104_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     I   105_A     I   105_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     Y   106_A     Y   106_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     R   107_A     R   107_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     R   108_A     R   108_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     T   109_A     T   109_A    115  118  123     73  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     E   110_A     E   110_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     A   111_A     A   111_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     K   112_A     K   112_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     L   113_A     L   113_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     H   114_A     H   114_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     K   115_A     K   115_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     L   116_A     L   116_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     L   117_A     L   117_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     E   118_A     E   118_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     E   119_A     E   119_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     E   120_A     E   120_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     L   121_A     L   121_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     E   122_A     E   122_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     N   123_A     N   123_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     L   124_A     L   124_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     C   125_A     C   125_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     G   126_A     G   126_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     E   127_A     E   127_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     P   128_A     P   128_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     I   129_A     I   129_A    115  118  123     49  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     Q   130_A     Q   130_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     L   131_A     L   131_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_GDT     S   132_A     S   132_A    115  118  123     85  109  112  113  113  114  114  114  114  115  116  117  117  117  117  118  118  118  118  118 
LCS_AVERAGE  LCS_A:  93.30  (  87.64   92.27  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     85    109    112    113    113    114    114    114    114    115    116    117    117    117    117    118    118    118    118    118 
GDT PERCENT_AT  69.11  88.62  91.06  91.87  91.87  92.68  92.68  92.68  92.68  93.50  94.31  95.12  95.12  95.12  95.12  95.93  95.93  95.93  95.93  95.93
GDT RMS_LOCAL    0.36   0.46   0.53   0.54   0.54   0.65   0.65   0.65   0.65   1.04   1.34   1.49   1.49   1.49   1.49   1.90   1.90   1.90   1.90   1.90
GDT RMS_ALL_AT   5.39   5.36   5.34   5.34   5.34   5.31   5.31   5.31   5.31   5.25   5.18   5.17   5.17   5.17   5.17   5.09   5.09   5.09   5.09   5.09

# Checking swapping
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  E    25_A      E    25_A
#   possible swapping detected:  F    26_A      F    26_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  E    42_A      E    42_A
#   possible swapping detected:  Y    44_A      Y    44_A
#   possible swapping detected:  Y    57_A      Y    57_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  Y    72_A      Y    72_A
#   possible swapping detected:  Y   106_A      Y   106_A
#   possible swapping detected:  E   110_A      E   110_A
#   possible swapping detected:  E   118_A      E   118_A
#   possible swapping detected:  E   119_A      E   119_A
#   possible swapping detected:  E   120_A      E   120_A
#   possible swapping detected:  E   122_A      E   122_A
#   possible swapping detected:  E   127_A      E   127_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    10_A      H    10_A    30.426     0    0.367   1.039    38.599    0.000    0.000
LGA    S    11_A      S    11_A    26.177     0    0.621   0.521    27.319    0.000    0.000
LGA    S    12_A      S    12_A    24.032     0    0.256   0.593    24.708    0.000    0.000
LGA    G    13_A      G    13_A    21.749     0    0.453   0.453    22.683    0.000    0.000
LGA    L    14_A      L    14_A    18.493     3    0.072   0.083    19.907    0.000    0.000
LGA    V    15_A      V    15_A    13.830     0    0.022   0.065    16.726    0.000    0.000
LGA    P    16_A      P    16_A     9.650     0    0.160   0.308    10.651    2.024    1.973
LGA    R    17_A      R    17_A     8.847     6    0.672   0.618     9.747    2.381    0.996
LGA    G    18_A      G    18_A     7.621     0    0.108   0.108     7.621   13.929   13.929
LGA    S    19_A      S    19_A     1.559     0    0.398   0.352     3.162   67.619   66.667
LGA    H    20_A      H    20_A     3.811     5    0.499   0.466     6.339   50.357   21.857
LGA    M    21_A      M    21_A     1.656     0    0.009   0.251     2.174   70.833   77.321
LGA    Q    22_A      Q    22_A     1.414     0    0.060   1.064     4.871   81.548   68.783
LGA    E    23_A      E    23_A     0.786     0    0.084   0.183     1.656   90.595   83.598
LGA    E    24_A      E    24_A     0.362     4    0.026   0.027     0.474  100.000   55.556
LGA    E    25_A      E    25_A     0.438     0    0.072   0.121     0.673  100.000   97.884
LGA    F    26_A      F    26_A     0.200     0    0.072   0.080     0.344  100.000  100.000
LGA    H    27_A      H    27_A     0.412     0    0.062   0.061     0.851   97.619   93.333
LGA    K    28_A      K    28_A     0.579     0    0.019   0.849     3.273   92.857   81.534
LGA    L    29_A      L    29_A     0.444     0    0.020   1.383     3.191  100.000   85.000
LGA    A    30_A      A    30_A     0.264     0    0.014   0.027     0.388  100.000  100.000
LGA    N    31_A      N    31_A     0.368     0    0.056   0.175     0.520  100.000   98.810
LGA    F    32_A      F    32_A     0.324     0    0.029   0.286     1.299  100.000   91.515
LGA    T    33_A      T    33_A     0.518     0    0.037   0.046     0.737   97.619   94.558
LGA    I    34_A      I    34_A     0.495     0    0.031   0.619     2.164   97.619   90.833
LGA    N    35_A      N    35_A     0.440     0    0.014   0.881     3.876  100.000   81.071
LGA    H    36_A      H    36_A     0.390     0    0.008   0.108     0.892  100.000   95.238
LGA    L    37_A      L    37_A     0.389     0    0.024   0.079     0.466  100.000  100.000
LGA    L    38_A      L    38_A     0.285     0    0.110   0.148     0.398  100.000  100.000
LGA    E    39_A      E    39_A     0.332     0    0.046   0.376     2.022  100.000   91.905
LGA    K    40_A      K    40_A     0.502     0    0.031   0.639     2.438   95.238   88.836
LGA    I    41_A      I    41_A     0.513     0    0.070   0.160     0.925   97.619   94.048
LGA    E    42_A      E    42_A     0.487     0    0.096   0.663     2.520   97.619   85.026
LGA    D    43_A      D    43_A     0.831     0    0.020   0.137     1.433   90.476   87.083
LGA    Y    44_A      Y    44_A     0.726     0    0.019   0.129     0.818   90.476   92.063
LGA    G    45_A      G    45_A     0.715     0    0.090   0.090     0.715   90.476   90.476
LGA    D    46_A      D    46_A     0.550     0    0.037   0.102     0.919   92.857   91.667
LGA    N    47_A      N    47_A     0.591     0    0.043   0.391     1.312   92.857   90.536
LGA    V    48_A      V    48_A     0.805     0    0.115   0.916     3.223   92.857   80.000
LGA    Q    49_A      Q    49_A     0.860     0    0.130   1.040     5.949   90.476   68.677
LGA    I    50_A      I    50_A     0.375     0    0.042   0.063     0.545   97.619   97.619
LGA    D    51_A      D    51_A     0.237     0    0.056   0.823     3.305   97.619   81.905
LGA    G    52_A      G    52_A     0.419     0    0.017   0.017     0.669   95.238   95.238
LGA    F    53_A      F    53_A     0.425     0    0.046   0.065     0.561   97.619   99.134
LGA    D    54_A      D    54_A     0.227     0    0.107   0.244     0.740  100.000   97.619
LGA    I    55_A      I    55_A     0.585     0    0.071   0.112     1.141   88.214   88.214
LGA    D    56_A      D    56_A     1.350     0    0.139   0.408     2.879   85.952   74.464
LGA    Y    57_A      Y    57_A     0.246     0    0.157   0.279     1.634   97.619   88.413
LGA    G    58_A      G    58_A     0.235     0    0.044   0.044     0.540   97.619   97.619
LGA    N    59_A      N    59_A     0.362     0    0.020   0.959     2.070   95.238   89.821
LGA    E    60_A      E    60_A     0.628     0    0.028   0.119     1.044   92.857   90.529
LGA    V    61_A      V    61_A     0.249     0    0.074   1.123     2.467  100.000   89.932
LGA    L    62_A      L    62_A     0.254     0    0.042   0.046     0.407  100.000  100.000
LGA    T    63_A      T    63_A     0.320     0    0.025   0.167     1.045  100.000   95.986
LGA    L    64_A      L    64_A     0.253     0    0.033   0.062     0.326  100.000  100.000
LGA    K    65_A      K    65_A     0.438     0    0.070   1.005     4.151   97.619   86.984
LGA    L    66_A      L    66_A     0.304     0    0.026   0.153     0.364  100.000  100.000
LGA    G    67_A      G    67_A     0.475     0    0.085   0.085     0.724   95.238   95.238
LGA    S    68_A      S    68_A     0.997     0    0.084   0.612     3.385   85.952   79.206
LGA    L    69_A      L    69_A     0.991     0    0.043   0.103     1.214   88.214   89.345
LGA    G    70_A      G    70_A     0.642     0    0.060   0.060     0.792   92.857   92.857
LGA    T    71_A      T    71_A     0.449     0    0.018   0.042     0.542   97.619   97.279
LGA    Y    72_A      Y    72_A     0.265     0    0.018   0.123     0.644  100.000   97.619
LGA    V    73_A      V    73_A     0.188     0    0.039   0.050     0.302  100.000  100.000
LGA    L    74_A      L    74_A     0.423     0    0.039   0.175     0.805  100.000   96.429
LGA    N    75_A      N    75_A     0.386     0    0.045   0.962     2.456   97.619   91.012
LGA    K    76_A      K    76_A     0.560     0    0.060   0.412     2.025   92.857   87.672
LGA    Q    77_A      Q    77_A     0.636     0    0.080   1.071     4.079   95.238   80.794
LGA    T    78_A      T    78_A     0.403     0    0.057   0.058     0.574   97.619   98.639
LGA    P    79_A      P    79_A     0.462     0    0.018   0.044     0.712  100.000   95.918
LGA    N    80_A      N    80_A     0.344     0    0.014   0.400     1.120  100.000   95.357
LGA    R    81_A      R    81_A     0.414     0    0.014   1.017     2.697  100.000   83.030
LGA    Q    82_A      Q    82_A     0.351     0    0.022   0.212     0.712  100.000   98.942
LGA    I    83_A      I    83_A     0.408     0    0.009   0.066     0.567  100.000   98.810
LGA    W    84_A      W    84_A     0.226     0    0.021   1.109     7.943  100.000   53.367
LGA    M    85_A      M    85_A     0.236     0    0.032   0.240     1.027  100.000   97.679
LGA    S    86_A      S    86_A     0.197     0    0.028   0.054     0.636  100.000   98.413
LGA    S    87_A      S    87_A     0.397     0    0.016   0.033     0.508   97.619   98.413
LGA    P    88_A      P    88_A     0.147     0    0.015   0.059     0.318  100.000  100.000
LGA    V    89_A      V    89_A     0.167     0    0.058   0.150     0.319  100.000  100.000
LGA    S    90_A      S    90_A     0.316     0    0.038   0.063     0.368  100.000  100.000
LGA    G    91_A      G    91_A     0.050     0    0.051   0.051     0.227  100.000  100.000
LGA    P    92_A      P    92_A     0.514     0    0.099   0.112     0.987   95.238   93.197
LGA    S    93_A      S    93_A     0.528     0    0.038   0.652     1.720   95.238   90.714
LGA    R    94_A      R    94_A     0.297     0    0.070   0.887     3.953  100.000   87.316
LGA    F    95_A      F    95_A     0.286     0    0.043   0.090     0.521  100.000   98.268
LGA    D    96_A      D    96_A     0.492     0    0.053   0.127     0.578   95.238   96.429
LGA    W    97_A      W    97_A     0.518     0    0.021   0.099     0.703   90.476   91.156
LGA    D    98_A      D    98_A     0.515     0    0.023   0.090     0.773   90.476   90.476
LGA    R    99_A      R    99_A     0.743     0    0.052   0.167     1.301   88.214   87.186
LGA    D   100_A      D   100_A     0.419     0    0.059   0.222     1.186  100.000   95.298
LGA    A   101_A      A   101_A     0.549     0    0.068   0.065     0.874   92.857   92.381
LGA    N   102_A      N   102_A     0.327     0    0.018   1.336     4.093  100.000   80.655
LGA    A   103_A      A   103_A     0.434     0    0.081   0.101     0.542   97.619   96.190
LGA    W   104_A      W   104_A     0.392     0    0.071   0.128     0.562   97.619   97.279
LGA    I   105_A      I   105_A     0.237     0    0.050   0.599     1.951  100.000   96.607
LGA    Y   106_A      Y   106_A     0.226     0    0.038   0.116     0.735  100.000   99.206
LGA    R   107_A      R   107_A     0.528     0    0.020   0.478     1.104   95.238   91.385
LGA    R   108_A      R   108_A     0.507     0    0.019   0.880     4.809   97.619   73.290
LGA    T   109_A      T   109_A     0.653     0    0.058   0.075     0.868   90.476   90.476
LGA    E   110_A      E   110_A     0.401     0    0.067   0.446     1.678   97.619   93.810
LGA    A   111_A      A   111_A     0.504     0    0.014   0.026     0.618   97.619   96.190
LGA    K   112_A      K   112_A     0.493     0    0.041   0.173     1.033   95.238   91.587
LGA    L   113_A      L   113_A     0.551     0    0.028   0.042     0.623   95.238   96.429
LGA    H   114_A      H   114_A     0.333     0    0.079   1.101     5.770   97.619   68.476
LGA    K   115_A      K   115_A     0.550     0    0.069   0.902     4.915   92.857   79.259
LGA    L   116_A      L   116_A     0.556     0    0.012   0.051     0.908   92.857   91.667
LGA    L   117_A      L   117_A     0.460     0    0.041   1.322     2.780   97.619   85.536
LGA    E   118_A      E   118_A     0.483     0    0.063   0.188     0.894   97.619   95.767
LGA    E   119_A      E   119_A     0.343     0    0.015   1.236     5.311  100.000   77.672
LGA    E   120_A      E   120_A     0.451     0    0.020   0.198     0.880  100.000   98.942
LGA    L   121_A      L   121_A     0.392     0    0.072   0.083     0.489  100.000  100.000
LGA    E   122_A      E   122_A     0.482     0    0.050   0.186     0.921   97.619   93.651
LGA    N   123_A      N   123_A     0.430     0    0.026   0.295     1.062  100.000   97.679
LGA    L   124_A      L   124_A     0.185     0    0.014   0.098     0.302  100.000  100.000
LGA    C   125_A      C   125_A     0.443     0    0.044   0.110     0.558  100.000   98.413
LGA    G   126_A      G   126_A     0.355     0    0.028   0.028     0.384  100.000  100.000
LGA    E   127_A      E   127_A     0.526     0    0.037   0.374     1.223   92.857   90.529
LGA    P   128_A      P   128_A     0.584     0    0.076   0.095     0.670   90.476   90.476
LGA    I   129_A      I   129_A     0.749     0    0.036   0.041     0.873   90.476   90.476
LGA    Q   130_A      Q   130_A     0.532     0    0.021   1.121     3.590   90.476   77.143
LGA    L   131_A      L   131_A     0.547     0    0.099   0.114     0.822   90.476   90.476
LGA    S   132_A      S   132_A     0.586     0    0.507   0.517     1.676   88.452   86.111

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      123     492    492  100.00     980    980  100.00               123
SUMMARY(RMSD_GDC):     4.782          4.694                  4.807           88.711   83.724

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  123    4.0    114    0.65    92.276    92.547    15.182

LGA_LOCAL      RMSD:   0.651  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.313  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   4.782  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.052478 * X  +  -0.940131 * Y  +  -0.336748 * Z  +  -6.684371
  Y_new =  -0.190114 * X  +  -0.321640 * Y  +   0.927580 * Z  + -29.043251
  Z_new =  -0.980358 * X  +   0.112698 * Y  +  -0.161853 * Z  +  10.707201 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.840124  1.372271  2.533355   [DEG: -105.4313   78.6253  145.1506 ]
ZXZ: -2.793349  1.733364 -1.456343   [DEG: -160.0471   99.3145  -83.4423 ]
 
# END of job
