
#######################################################
#                                                     #
#                        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:   121      12_A - 132_A       4.92     6.57
  LCS_AVERAGE:     97.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   117      16_A - 132_A       1.86     6.97
  LCS_AVERAGE:     90.73

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   115      18_A - 132_A       0.94     7.14
  LCS_AVERAGE:     87.62

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    5   17      2    3    5    5    6    8   10   11   12   13   13   15   16   17   17   17   18   19   22   24 
LCS_GDT     S    11_A     S    11_A      4    6   17      3    4    5    5    6    8   10   11   12   13   13   15   16   18   22   23   26   28   28   34 
LCS_GDT     S    12_A     S    12_A      4    6  121      3    4    5    5    6    8   10   11   12   13   13   15   16   18   22   23   28   30   35   37 
LCS_GDT     G    13_A     G    13_A      4    7  121      3    4    5    5    6    8   10   11   12   13   13   15   16   18   27   27   28   31   35   40 
LCS_GDT     L    14_A     L    14_A      4    7  121      3    4    5    5    6    8   10   11   12   13   13   15   16   18   27   27   31   34   38   50 
LCS_GDT     V    15_A     V    15_A      4    7  121      3    4    4    5    6    8   10   12   16   20   22   28   32   37   47   61   76   90   99  106 
LCS_GDT     P    16_A     P    16_A      4  117  121      3    4    4    8   14   23   29   30   36   54   77   88   99  108  116  117  117  117  117  117 
LCS_GDT     R    17_A     R    17_A      4  117  121      3    4    4    6   28   31   40   66   82   90  106  116  116  116  116  117  117  117  117  117 
LCS_GDT     G    18_A     G    18_A    115  117  121      3   10   21   61   87  111  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     S    19_A     S    19_A    115  117  121      3   15   56   87  108  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     H    20_A     H    20_A    115  117  121     15   62  111  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     M    21_A     M    21_A    115  117  121     29   97  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     Q    22_A     Q    22_A    115  117  121     34  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     E    23_A     E    23_A    115  117  121     58  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     E    24_A     E    24_A    115  117  121     58  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     E    25_A     E    25_A    115  117  121     59  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     F    26_A     F    26_A    115  117  121     67  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     H    27_A     H    27_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     K    28_A     K    28_A    115  117  121     69  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     L    29_A     L    29_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     A    30_A     A    30_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     N    31_A     N    31_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     F    32_A     F    32_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     T    33_A     T    33_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     I    34_A     I    34_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     N    35_A     N    35_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     H    36_A     H    36_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     L    37_A     L    37_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     L    38_A     L    38_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     E    39_A     E    39_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     K    40_A     K    40_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     I    41_A     I    41_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     E    42_A     E    42_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     D    43_A     D    43_A    115  117  121     25  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     Y    44_A     Y    44_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     G    45_A     G    45_A    115  117  121     62  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     D    46_A     D    46_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     N    47_A     N    47_A    115  117  121     33  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     V    48_A     V    48_A    115  117  121     10  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     Q    49_A     Q    49_A    115  117  121     38  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     I    50_A     I    50_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     D    51_A     D    51_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     G    52_A     G    52_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     F    53_A     F    53_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     D    54_A     D    54_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     I    55_A     I    55_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     D    56_A     D    56_A    115  117  121     20  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     Y    57_A     Y    57_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     G    58_A     G    58_A    115  117  121     51  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     N    59_A     N    59_A    115  117  121     29  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     E    60_A     E    60_A    115  117  121     25  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     V    61_A     V    61_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     L    62_A     L    62_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     T    63_A     T    63_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     L    64_A     L    64_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     K    65_A     K    65_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     L    66_A     L    66_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     G    67_A     G    67_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     S    68_A     S    68_A    115  117  121     39  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     L    69_A     L    69_A    115  117  121     30  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     G    70_A     G    70_A    115  117  121     39  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     T    71_A     T    71_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     Y    72_A     Y    72_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     V    73_A     V    73_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     L    74_A     L    74_A    115  117  121     58  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     N    75_A     N    75_A    115  117  121     67  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     K    76_A     K    76_A    115  117  121     33  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     Q    77_A     Q    77_A    115  117  121     24  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     T    78_A     T    78_A    115  117  121     20  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     P    79_A     P    79_A    115  117  121     33  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     N    80_A     N    80_A    115  117  121     58  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     R    81_A     R    81_A    115  117  121     50  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     Q    82_A     Q    82_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     I    83_A     I    83_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     W    84_A     W    84_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     M    85_A     M    85_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     S    86_A     S    86_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     S    87_A     S    87_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     P    88_A     P    88_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     V    89_A     V    89_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     S    90_A     S    90_A    115  117  121     62  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     G    91_A     G    91_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     P    92_A     P    92_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     S    93_A     S    93_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     R    94_A     R    94_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     F    95_A     F    95_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     D    96_A     D    96_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     W    97_A     W    97_A    115  117  121     68  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     D    98_A     D    98_A    115  117  121     65  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     R    99_A     R    99_A    115  117  121     19  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     D   100_A     D   100_A    115  117  121     65  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     A   101_A     A   101_A    115  117  121     65  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     N   102_A     N   102_A    115  117  121     50  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     A   103_A     A   103_A    115  117  121     68  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     W   104_A     W   104_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     I   105_A     I   105_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     Y   106_A     Y   106_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     R   107_A     R   107_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     R   108_A     R   108_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     T   109_A     T   109_A    115  117  121     68  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     E   110_A     E   110_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     A   111_A     A   111_A    115  117  121     65  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     K   112_A     K   112_A    115  117  121     68  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     L   113_A     L   113_A    115  117  121     68  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     H   114_A     H   114_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     K   115_A     K   115_A    115  117  121     68  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     L   116_A     L   116_A    115  117  121     68  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     L   117_A     L   117_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     E   118_A     E   118_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     E   119_A     E   119_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     E   120_A     E   120_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     L   121_A     L   121_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     E   122_A     E   122_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     N   123_A     N   123_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     L   124_A     L   124_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     C   125_A     C   125_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     G   126_A     G   126_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     E   127_A     E   127_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     P   128_A     P   128_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     I   129_A     I   129_A    115  117  121     69  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     Q   130_A     Q   130_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     L   131_A     L   131_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_GDT     S   132_A     S   132_A    115  117  121     70  110  112  113  113  114  115  115  115  115  115  116  116  116  116  117  117  117  117  117 
LCS_AVERAGE  LCS_A:  91.78  (  87.62   90.73   97.00 )

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     70    110    112    113    113    114    115    115    115    115    115    116    116    116    116    117    117    117    117    117 
GDT PERCENT_AT  56.91  89.43  91.06  91.87  91.87  92.68  93.50  93.50  93.50  93.50  93.50  94.31  94.31  94.31  94.31  95.12  95.12  95.12  95.12  95.12
GDT RMS_LOCAL    0.34   0.52   0.56   0.62   0.62   0.76   0.94   0.94   0.94   0.94   0.94   1.39   1.39   1.39   1.39   1.86   1.86   1.86   1.86   1.86
GDT RMS_ALL_AT   7.31   7.27   7.25   7.22   7.22   7.18   7.14   7.14   7.14   7.14   7.14   7.06   7.06   7.06   7.06   6.97   6.97   6.97   6.97   6.97

# 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    38.767     0    0.422   0.910    40.989    0.000    0.000
LGA    S    11_A      S    11_A    36.849     0    0.592   0.835    37.898    0.000    0.000
LGA    S    12_A      S    12_A    32.728     0    0.254   0.663    34.348    0.000    0.000
LGA    G    13_A      G    13_A    29.008     0    0.456   0.456    30.265    0.000    0.000
LGA    L    14_A      L    14_A    25.426     3    0.037   0.036    27.083    0.000    0.000
LGA    V    15_A      V    15_A    20.528     0    0.032   0.043    23.987    0.000    0.000
LGA    P    16_A      P    16_A    14.143     0    0.089   0.304    16.255    0.000    0.000
LGA    R    17_A      R    17_A    11.332     6    0.375   0.400    12.520    0.357    0.130
LGA    G    18_A      G    18_A     5.792     0    0.520   0.520     7.327   26.548   26.548
LGA    S    19_A      S    19_A     4.489     0    0.062   0.073     6.352   37.500   31.429
LGA    H    20_A      H    20_A     2.327     5    0.060   0.067     2.746   66.905   33.238
LGA    M    21_A      M    21_A     1.398     0    0.043   0.167     1.739   79.286   83.750
LGA    Q    22_A      Q    22_A     0.914     0    0.077   1.127     3.044   90.595   76.614
LGA    E    23_A      E    23_A     0.299     0    0.092   0.210     0.991   97.619   94.709
LGA    E    24_A      E    24_A     0.548     4    0.035   0.033     0.714   97.619   53.439
LGA    E    25_A      E    25_A     0.374     0    0.075   0.137     0.520   97.619   98.942
LGA    F    26_A      F    26_A     0.276     0    0.058   0.077     0.391  100.000  100.000
LGA    H    27_A      H    27_A     0.571     0    0.065   0.231     1.003   90.476   90.524
LGA    K    28_A      K    28_A     0.661     0    0.022   0.839     3.429   90.476   80.476
LGA    L    29_A      L    29_A     0.538     0    0.016   1.388     3.235   95.238   81.429
LGA    A    30_A      A    30_A     0.431     0    0.028   0.034     0.441  100.000  100.000
LGA    N    31_A      N    31_A     0.424     0    0.035   0.084     0.545  100.000   98.810
LGA    F    32_A      F    32_A     0.360     0    0.031   0.299     1.729  100.000   89.091
LGA    T    33_A      T    33_A     0.617     0    0.034   0.042     0.900   95.238   93.197
LGA    I    34_A      I    34_A     0.510     0    0.033   0.617     2.151   95.238   89.643
LGA    N    35_A      N    35_A     0.374     0    0.015   0.876     3.758  100.000   83.155
LGA    H    36_A      H    36_A     0.376     0    0.008   0.106     0.939  100.000   95.238
LGA    L    37_A      L    37_A     0.400     0    0.025   0.063     0.559  100.000   96.429
LGA    L    38_A      L    38_A     0.252     0    0.108   0.132     0.387  100.000  100.000
LGA    E    39_A      E    39_A     0.374     0    0.052   0.438     2.480  100.000   89.841
LGA    K    40_A      K    40_A     0.530     0    0.032   0.681     2.612   95.238   87.989
LGA    I    41_A      I    41_A     0.466     0    0.064   0.159     0.868  100.000   95.238
LGA    E    42_A      E    42_A     0.496     0    0.093   0.670     2.496   95.238   84.815
LGA    D    43_A      D    43_A     0.883     0    0.019   0.131     1.461   88.214   84.821
LGA    Y    44_A      Y    44_A     0.777     0    0.015   0.129     0.860   90.476   91.270
LGA    G    45_A      G    45_A     0.766     0    0.092   0.092     0.766   90.476   90.476
LGA    D    46_A      D    46_A     0.653     0    0.030   0.091     1.125   90.476   89.345
LGA    N    47_A      N    47_A     0.768     0    0.036   0.361     1.567   90.476   88.274
LGA    V    48_A      V    48_A     0.860     0    0.106   0.918     3.271   95.238   81.361
LGA    Q    49_A      Q    49_A     0.768     0    0.132   0.751     2.821   92.857   79.206
LGA    I    50_A      I    50_A     0.329     0    0.039   0.071     0.576   97.619   96.429
LGA    D    51_A      D    51_A     0.288     0    0.072   0.818     3.502   97.619   81.071
LGA    G    52_A      G    52_A     0.275     0    0.015   0.015     0.503   97.619   97.619
LGA    F    53_A      F    53_A     0.436     0    0.033   0.048     0.513   97.619   99.134
LGA    D    54_A      D    54_A     0.286     0    0.110   0.191     0.744   97.619   97.619
LGA    I    55_A      I    55_A     0.309     0    0.062   0.095     0.617   95.238   94.048
LGA    D    56_A      D    56_A     0.935     0    0.083   0.357     2.240   92.857   81.905
LGA    Y    57_A      Y    57_A     0.238     0    0.141   0.313     1.594   97.619   91.508
LGA    G    58_A      G    58_A     0.478     0    0.042   0.042     0.890   95.238   95.238
LGA    N    59_A      N    59_A     0.853     0    0.026   0.867     2.439   90.476   85.060
LGA    E    60_A      E    60_A     0.844     0    0.023   0.177     1.471   90.476   86.455
LGA    V    61_A      V    61_A     0.294     0    0.086   1.118     2.530   97.619   87.483
LGA    L    62_A      L    62_A     0.203     0    0.021   0.877     1.926  100.000   93.214
LGA    T    63_A      T    63_A     0.415     0    0.032   0.160     1.082  100.000   95.986
LGA    L    64_A      L    64_A     0.368     0    0.037   0.069     0.433  100.000  100.000
LGA    K    65_A      K    65_A     0.536     0    0.063   0.986     4.100   92.857   81.746
LGA    L    66_A      L    66_A     0.399     0    0.029   0.168     0.515  100.000   98.810
LGA    G    67_A      G    67_A     0.320     0    0.077   0.077     0.609   95.238   95.238
LGA    S    68_A      S    68_A     0.944     0    0.059   0.585     3.232   88.214   80.714
LGA    L    69_A      L    69_A     1.060     0    0.027   0.095     1.200   81.429   84.821
LGA    G    70_A      G    70_A     0.774     0    0.031   0.031     0.903   90.476   90.476
LGA    T    71_A      T    71_A     0.502     0    0.027   0.056     0.590   95.238   94.558
LGA    Y    72_A      Y    72_A     0.360     0    0.029   0.098     0.500  100.000  100.000
LGA    V    73_A      V    73_A     0.262     0    0.064   0.072     0.272  100.000  100.000
LGA    L    74_A      L    74_A     0.486     0    0.053   0.147     0.699   97.619   97.619
LGA    N    75_A      N    75_A     0.678     0    0.101   1.156     3.620   95.238   84.702
LGA    K    76_A      K    76_A     0.701     0    0.041   0.619     1.154   90.476   89.471
LGA    Q    77_A      Q    77_A     0.654     0    0.083   1.056     3.644   92.857   83.280
LGA    T    78_A      T    78_A     0.648     0    0.060   0.079     0.746   90.476   90.476
LGA    P    79_A      P    79_A     0.756     0    0.030   0.042     0.915   90.476   90.476
LGA    N    80_A      N    80_A     0.564     0    0.023   0.333     1.528   92.857   89.464
LGA    R    81_A      R    81_A     0.586     0    0.013   1.001     2.529   95.238   82.078
LGA    Q    82_A      Q    82_A     0.443     0    0.016   0.177     1.109  100.000   93.704
LGA    I    83_A      I    83_A     0.419     0    0.011   0.048     0.531  100.000   98.810
LGA    W    84_A      W    84_A     0.340     0    0.023   0.090     0.727  100.000   95.238
LGA    M    85_A      M    85_A     0.291     0    0.027   0.276     1.094  100.000   97.679
LGA    S    86_A      S    86_A     0.276     0    0.041   0.056     0.556  100.000   98.413
LGA    S    87_A      S    87_A     0.408     0    0.015   0.049     0.468  100.000  100.000
LGA    P    88_A      P    88_A     0.122     0    0.017   0.052     0.380  100.000  100.000
LGA    V    89_A      V    89_A     0.158     0    0.069   0.157     0.352  100.000  100.000
LGA    S    90_A      S    90_A     0.430     0    0.049   0.086     0.468  100.000  100.000
LGA    G    91_A      G    91_A     0.286     0    0.048   0.048     0.287  100.000  100.000
LGA    P    92_A      P    92_A     0.531     0    0.096   0.107     0.929   92.857   91.837
LGA    S    93_A      S    93_A     0.480     0    0.035   0.640     1.986   95.238   92.302
LGA    R    94_A      R    94_A     0.695     0    0.084   0.657     3.134   90.476   81.948
LGA    F    95_A      F    95_A     0.636     0    0.034   0.071     0.699   90.476   90.476
LGA    D    96_A      D    96_A     0.841     0    0.040   0.130     1.029   90.476   89.345
LGA    W    97_A      W    97_A     0.839     0    0.020   0.082     0.903   90.476   90.476
LGA    D    98_A      D    98_A     0.862     0    0.026   0.077     1.118   88.214   88.214
LGA    R    99_A      R    99_A     0.946     0    0.060   0.627     2.124   88.214   75.628
LGA    D   100_A      D   100_A     0.777     0    0.050   0.252     1.459   90.476   88.214
LGA    A   101_A      A   101_A     0.935     0    0.071   0.068     1.245   88.214   88.667
LGA    N   102_A      N   102_A     0.607     0    0.022   1.354     4.100   90.476   72.976
LGA    A   103_A      A   103_A     0.742     0    0.078   0.099     0.870   90.476   90.476
LGA    W   104_A      W   104_A     0.713     0    0.060   0.116     0.840   90.476   90.476
LGA    I   105_A      I   105_A     0.610     0    0.039   0.069     0.724   90.476   90.476
LGA    Y   106_A      Y   106_A     0.626     0    0.032   0.067     0.817   90.476   90.476
LGA    R   107_A      R   107_A     0.911     0    0.020   0.474     1.123   90.476   88.831
LGA    R   108_A      R   108_A     0.767     0    0.017   0.955     4.439   90.476   73.247
LGA    T   109_A      T   109_A     0.896     0    0.067   0.086     1.085   88.214   87.891
LGA    E   110_A      E   110_A     0.783     0    0.063   0.453     1.921   90.476   87.513
LGA    A   111_A      A   111_A     0.983     0    0.014   0.023     1.134   90.476   88.667
LGA    K   112_A      K   112_A     0.852     0    0.048   0.162     1.385   90.476   88.466
LGA    L   113_A      L   113_A     0.774     0    0.028   0.056     0.890   90.476   90.476
LGA    H   114_A      H   114_A     0.462     0    0.069   1.100     5.899   92.857   65.952
LGA    K   115_A      K   115_A     0.685     0    0.064   0.887     4.668   90.476   78.201
LGA    L   116_A      L   116_A     0.676     0    0.007   0.084     1.069   90.476   89.345
LGA    L   117_A      L   117_A     0.351     0    0.055   0.057     0.465  100.000  100.000
LGA    E   118_A      E   118_A     0.323     0    0.063   0.147     0.664   97.619   94.709
LGA    E   119_A      E   119_A     0.269     0    0.019   1.236     5.269  100.000   77.672
LGA    E   120_A      E   120_A     0.340     0    0.016   0.098     0.450  100.000  100.000
LGA    L   121_A      L   121_A     0.391     0    0.075   0.091     0.472  100.000  100.000
LGA    E   122_A      E   122_A     0.563     0    0.049   0.174     0.831   90.476   90.476
LGA    N   123_A      N   123_A     0.512     0    0.024   0.290     1.145   95.238   92.917
LGA    L   124_A      L   124_A     0.262     0    0.015   0.100     0.374  100.000  100.000
LGA    C   125_A      C   125_A     0.488     0    0.046   0.111     0.564  100.000   98.413
LGA    G   126_A      G   126_A     0.507     0    0.051   0.051     0.604   92.857   92.857
LGA    E   127_A      E   127_A     0.671     0    0.040   0.378     1.718   90.476   87.513
LGA    P   128_A      P   128_A     0.604     0    0.067   0.087     0.758   90.476   90.476
LGA    I   129_A      I   129_A     0.703     0    0.039   0.042     0.786   90.476   90.476
LGA    Q   130_A      Q   130_A     0.606     0    0.025   1.138     3.836   90.476   77.143
LGA    L   131_A      L   131_A     0.649     0    0.100   0.114     0.874   90.476   90.476
LGA    S   132_A      S   132_A     0.793     0    0.522   0.525     1.737   90.595   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):     6.491          6.413                  6.142           87.051   82.763

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  123    4.0    115    0.94    92.480    92.195    11.094

LGA_LOCAL      RMSD:   0.937  Number of atoms:  115  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.140  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   6.491  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.928973 * X  +   0.089110 * Y  +   0.359262 * Z  +  -7.138336
  Y_new =  -0.362817 * X  +   0.411424 * Y  +   0.836119 * Z  + -29.558781
  Z_new =  -0.073302 * X  +  -0.907078 * Y  +   0.414532 * Z  +  11.504039 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.372340  0.073368 -1.142139   [DEG:  -21.3335    4.2037  -65.4397 ]
ZXZ:  2.735766  1.143368 -3.060956   [DEG:  156.7479   65.5102 -175.3799 ]
 
# END of job
