
#######################################################
#                                                     #
#                        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  118 (  964),  selected  118 , name one
# Molecule2: number of CA atoms  123 (  980),  selected  118 , 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:   118      15_A - 132_A       2.09     2.09
  LCS_AVERAGE:     95.93

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   117      16_A - 132_A       1.69     2.10
  LCS_AVERAGE:     94.38

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114      19_A - 132_A       0.66     2.21
  LCS_AVERAGE:     89.65

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  118
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     V    15_A     V    15_A      4    9  118      3    4    4    6    8   11   13   18   26   33   43   55   64   85   99  113  118  118  118  118 
LCS_GDT     P    16_A     P    16_A      4  117  118      3    4    4    4    8   11   13   25   42   56   74   89  101  111  115  117  118  118  118  118 
LCS_GDT     R    17_A     R    17_A      4  117  118      3    4    4    5    7   10   27   43   64  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     G    18_A     G    18_A      4  117  118      3    4    4    6   22   36   59  110  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     S    19_A     S    19_A    114  117  118      8   36   88  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     H    20_A     H    20_A    114  117  118     20   59  110  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     M    21_A     M    21_A    114  117  118     20   76  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     Q    22_A     Q    22_A    114  117  118     20   59  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     E    23_A     E    23_A    114  117  118     29  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     E    24_A     E    24_A    114  117  118     71  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     E    25_A     E    25_A    114  117  118     66  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     F    26_A     F    26_A    114  117  118     81  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     H    27_A     H    27_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     K    28_A     K    28_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     L    29_A     L    29_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     A    30_A     A    30_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     N    31_A     N    31_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     F    32_A     F    32_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     T    33_A     T    33_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     I    34_A     I    34_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     N    35_A     N    35_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     H    36_A     H    36_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     L    37_A     L    37_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     L    38_A     L    38_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     E    39_A     E    39_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     K    40_A     K    40_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     I    41_A     I    41_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     E    42_A     E    42_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     D    43_A     D    43_A    114  117  118     74  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     Y    44_A     Y    44_A    114  117  118     74  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     G    45_A     G    45_A    114  117  118     75  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     D    46_A     D    46_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     N    47_A     N    47_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     V    48_A     V    48_A    114  117  118     11  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     Q    49_A     Q    49_A    114  117  118     53  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     I    50_A     I    50_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     D    51_A     D    51_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     G    52_A     G    52_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     F    53_A     F    53_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     D    54_A     D    54_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     I    55_A     I    55_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     D    56_A     D    56_A    114  117  118     78  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     Y    57_A     Y    57_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     G    58_A     G    58_A    114  117  118     81  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     N    59_A     N    59_A    114  117  118     33  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     E    60_A     E    60_A    114  117  118     33  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     V    61_A     V    61_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     L    62_A     L    62_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     T    63_A     T    63_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     L    64_A     L    64_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     K    65_A     K    65_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     L    66_A     L    66_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     G    67_A     G    67_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     S    68_A     S    68_A    114  117  118     64  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     L    69_A     L    69_A    114  117  118     55  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     G    70_A     G    70_A    114  117  118     82  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     T    71_A     T    71_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     Y    72_A     Y    72_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     V    73_A     V    73_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     L    74_A     L    74_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     N    75_A     N    75_A    114  117  118     53  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     K    76_A     K    76_A    114  117  118     33  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     Q    77_A     Q    77_A    114  117  118     26  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     T    78_A     T    78_A    114  117  118     39  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     P    79_A     P    79_A    114  117  118     39  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     N    80_A     N    80_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     R    81_A     R    81_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     Q    82_A     Q    82_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     I    83_A     I    83_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     W    84_A     W    84_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     M    85_A     M    85_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     S    86_A     S    86_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     S    87_A     S    87_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     P    88_A     P    88_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     V    89_A     V    89_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     S    90_A     S    90_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     G    91_A     G    91_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     P    92_A     P    92_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     S    93_A     S    93_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     R    94_A     R    94_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     F    95_A     F    95_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     D    96_A     D    96_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     W    97_A     W    97_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     D    98_A     D    98_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     R    99_A     R    99_A    114  117  118     39  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     D   100_A     D   100_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     A   101_A     A   101_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     N   102_A     N   102_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     A   103_A     A   103_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     W   104_A     W   104_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     I   105_A     I   105_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     Y   106_A     Y   106_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     R   107_A     R   107_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     R   108_A     R   108_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     T   109_A     T   109_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     E   110_A     E   110_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     A   111_A     A   111_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     K   112_A     K   112_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     L   113_A     L   113_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     H   114_A     H   114_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     K   115_A     K   115_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     L   116_A     L   116_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     L   117_A     L   117_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     E   118_A     E   118_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     E   119_A     E   119_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     E   120_A     E   120_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     L   121_A     L   121_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     E   122_A     E   122_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     N   123_A     N   123_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     L   124_A     L   124_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     C   125_A     C   125_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     G   126_A     G   126_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     E   127_A     E   127_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     P   128_A     P   128_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     I   129_A     I   129_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     Q   130_A     Q   130_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     L   131_A     L   131_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_GDT     S   132_A     S   132_A    114  117  118     83  110  112  114  114  114  114  114  114  116  116  116  116  116  116  117  118  118  118  118 
LCS_AVERAGE  LCS_A:  93.32  (  89.65   94.38   95.93 )

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     83    110    112    114    114    114    114    114    114    116    116    116    116    116    116    117    118    118    118    118 
GDT PERCENT_AT  67.48  89.43  91.06  92.68  92.68  92.68  92.68  92.68  92.68  94.31  94.31  94.31  94.31  94.31  94.31  95.12  95.93  95.93  95.93  95.93
GDT RMS_LOCAL    0.30   0.47   0.53   0.66   0.66   0.66   0.66   0.66   0.66   1.28   1.28   1.28   1.28   1.28   1.28   1.69   2.09   2.09   2.09   2.09
GDT RMS_ALL_AT   2.32   2.27   2.25   2.21   2.21   2.21   2.21   2.21   2.21   2.13   2.13   2.13   2.13   2.13   2.13   2.10   2.09   2.09   2.09   2.09

# 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    V    15_A      V    15_A    14.463     0    0.036   0.083    16.456    0.000    0.000
LGA    P    16_A      P    16_A    12.811     0    0.244   0.253    13.578    0.000    0.000
LGA    R    17_A      R    17_A     9.059     6    0.693   0.629    10.172    3.333    1.212
LGA    G    18_A      G    18_A     8.410     0    0.029   0.029     8.593    8.571    8.571
LGA    S    19_A      S    19_A     3.446     0    0.481   0.422     5.126   45.833   49.683
LGA    H    20_A      H    20_A     2.289     5    0.099   0.109     2.418   68.810   34.000
LGA    M    21_A      M    21_A     1.587     0    0.047   1.296     3.252   75.000   70.179
LGA    Q    22_A      Q    22_A     1.805     0    0.056   0.929     5.071   77.143   62.857
LGA    E    23_A      E    23_A     1.074     0    0.077   0.201     2.247   85.952   78.783
LGA    E    24_A      E    24_A     0.513     4    0.016   0.046     0.564   90.476   51.323
LGA    E    25_A      E    25_A     0.586     0    0.074   0.127     0.635   90.476   90.476
LGA    F    26_A      F    26_A     0.335     0    0.063   0.103     0.538   97.619   99.134
LGA    H    27_A      H    27_A     0.334     0    0.050   0.055     0.842  100.000   95.238
LGA    K    28_A      K    28_A     0.462     0    0.041   0.828     3.179  100.000   86.772
LGA    L    29_A      L    29_A     0.342     0    0.018   0.042     0.430  100.000  100.000
LGA    A    30_A      A    30_A     0.320     0    0.020   0.023     0.437  100.000  100.000
LGA    N    31_A      N    31_A     0.471     0    0.037   0.160     0.589   97.619   97.619
LGA    F    32_A      F    32_A     0.383     0    0.035   0.315     1.306  100.000   91.515
LGA    T    33_A      T    33_A     0.460     0    0.022   0.100     0.688  100.000   97.279
LGA    I    34_A      I    34_A     0.474     0    0.040   0.060     0.558  100.000   98.810
LGA    N    35_A      N    35_A     0.475     0    0.018   0.899     3.971   97.619   80.774
LGA    H    36_A      H    36_A     0.364     0    0.012   0.075     0.585  100.000   96.190
LGA    L    37_A      L    37_A     0.315     0    0.025   0.048     0.407  100.000  100.000
LGA    L    38_A      L    38_A     0.218     0    0.090   0.105     0.390  100.000  100.000
LGA    E    39_A      E    39_A     0.272     0    0.057   0.260     1.812  100.000   91.799
LGA    K    40_A      K    40_A     0.425     0    0.017   0.533     1.666  100.000   92.804
LGA    I    41_A      I    41_A     0.341     0    0.068   0.151     0.520  100.000   97.619
LGA    E    42_A      E    42_A     0.353     0    0.076   0.625     2.433  100.000   87.989
LGA    D    43_A      D    43_A     0.767     0    0.032   0.117     1.216   90.476   87.083
LGA    Y    44_A      Y    44_A     0.715     0    0.026   0.114     0.781   90.476   91.270
LGA    G    45_A      G    45_A     0.698     0    0.071   0.071     0.698   90.476   90.476
LGA    D    46_A      D    46_A     0.468     0    0.023   0.133     0.745   97.619   94.048
LGA    N    47_A      N    47_A     0.397     0    0.079   0.402     1.133   95.238   92.917
LGA    V    48_A      V    48_A     0.794     0    0.130   0.902     3.242   92.857   80.000
LGA    Q    49_A      Q    49_A     0.838     0    0.111   0.925     5.675   92.857   67.831
LGA    I    50_A      I    50_A     0.375     0    0.020   0.640     1.949   97.619   94.226
LGA    D    51_A      D    51_A     0.283     0    0.063   0.804     3.416   97.619   81.905
LGA    G    52_A      G    52_A     0.255     0    0.008   0.008     0.434  100.000  100.000
LGA    F    53_A      F    53_A     0.353     0    0.062   0.067     0.523   97.619   99.134
LGA    D    54_A      D    54_A     0.173     0    0.129   0.258     0.913   97.619   97.619
LGA    I    55_A      I    55_A     0.291     0    0.067   0.078     0.539   97.619   98.810
LGA    D    56_A      D    56_A     0.831     0    0.075   0.285     2.087   95.238   84.107
LGA    Y    57_A      Y    57_A     0.361     0    0.130   0.333     1.701   95.238   90.000
LGA    G    58_A      G    58_A     0.427     0    0.060   0.060     0.862   95.238   95.238
LGA    N    59_A      N    59_A     0.749     0    0.026   0.780     1.971   90.476   86.071
LGA    E    60_A      E    60_A     0.752     0    0.073   0.184     0.995   90.476   90.476
LGA    V    61_A      V    61_A     0.364     0    0.056   1.147     2.723   97.619   87.483
LGA    L    62_A      L    62_A     0.210     0    0.041   0.125     0.474  100.000  100.000
LGA    T    63_A      T    63_A     0.385     0    0.027   0.131     1.002  100.000   95.986
LGA    L    64_A      L    64_A     0.279     0    0.035   0.076     0.348  100.000  100.000
LGA    K    65_A      K    65_A     0.438     0    0.082   1.014     4.350   97.619   85.979
LGA    L    66_A      L    66_A     0.273     0    0.033   0.135     0.474  100.000  100.000
LGA    G    67_A      G    67_A     0.264     0    0.106   0.106     0.461  100.000  100.000
LGA    S    68_A      S    68_A     0.865     0    0.070   0.599     3.285   90.476   82.222
LGA    L    69_A      L    69_A     0.905     0    0.040   0.096     1.043   88.214   89.345
LGA    G    70_A      G    70_A     0.632     0    0.027   0.027     0.751   92.857   92.857
LGA    T    71_A      T    71_A     0.376     0    0.014   0.041     0.485  100.000  100.000
LGA    Y    72_A      Y    72_A     0.295     0    0.033   0.087     0.589  100.000   99.206
LGA    V    73_A      V    73_A     0.238     0    0.041   0.060     0.250  100.000  100.000
LGA    L    74_A      L    74_A     0.449     0    0.043   0.087     0.543  100.000   98.810
LGA    N    75_A      N    75_A     0.684     0    0.093   0.801     2.549   95.238   83.214
LGA    K    76_A      K    76_A     0.779     0    0.129   0.661     1.162   90.476   89.471
LGA    Q    77_A      Q    77_A     0.764     0    0.053   1.060     3.209   90.476   82.011
LGA    T    78_A      T    78_A     0.669     0    0.042   0.069     0.765   90.476   90.476
LGA    P    79_A      P    79_A     0.767     0    0.008   0.038     0.963   90.476   90.476
LGA    N    80_A      N    80_A     0.502     0    0.026   0.288     1.255   95.238   92.917
LGA    R    81_A      R    81_A     0.523     0    0.020   0.930     2.249   97.619   84.372
LGA    Q    82_A      Q    82_A     0.318     0    0.008   0.189     0.988  100.000   96.825
LGA    I    83_A      I    83_A     0.294     0    0.030   0.058     0.433  100.000  100.000
LGA    W    84_A      W    84_A     0.215     0    0.029   0.054     0.529  100.000   98.639
LGA    M    85_A      M    85_A     0.249     0    0.017   0.242     1.144  100.000   97.679
LGA    S    86_A      S    86_A     0.140     0    0.036   0.052     0.287  100.000  100.000
LGA    S    87_A      S    87_A     0.301     0    0.013   0.031     0.548  100.000   98.413
LGA    P    88_A      P    88_A     0.172     0    0.014   0.054     0.293  100.000  100.000
LGA    V    89_A      V    89_A     0.218     0    0.038   0.136     0.524  100.000   98.639
LGA    S    90_A      S    90_A     0.179     0    0.054   0.080     0.343  100.000  100.000
LGA    G    91_A      G    91_A     0.240     0    0.033   0.033     0.247  100.000  100.000
LGA    P    92_A      P    92_A     0.478     0    0.064   0.092     0.838   97.619   94.558
LGA    S    93_A      S    93_A     0.456     0    0.012   0.048     0.465  100.000  100.000
LGA    R    94_A      R    94_A     0.513     0    0.028   0.793     3.685   95.238   84.719
LGA    F    95_A      F    95_A     0.409     0    0.042   0.103     0.470  100.000  100.000
LGA    D    96_A      D    96_A     0.707     0    0.031   0.138     0.847   90.476   90.476
LGA    W    97_A      W    97_A     0.714     0    0.035   0.086     0.806   90.476   90.476
LGA    D    98_A      D    98_A     0.627     0    0.035   0.071     0.937   90.476   90.476
LGA    R    99_A      R    99_A     0.762     0    0.071   0.219     1.257   88.214   89.697
LGA    D   100_A      D   100_A     0.584     0    0.057   0.179     1.305   90.476   89.345
LGA    A   101_A      A   101_A     0.524     0    0.052   0.050     0.795   92.857   92.381
LGA    N   102_A      N   102_A     0.419     0    0.022   1.367     4.268   95.238   78.274
LGA    A   103_A      A   103_A     0.519     0    0.060   0.082     0.559   90.476   90.476
LGA    W   104_A      W   104_A     0.512     0    0.057   0.143     0.704   92.857   91.837
LGA    I   105_A      I   105_A     0.289     0    0.029   0.598     1.865  100.000   95.417
LGA    Y   106_A      Y   106_A     0.212     0    0.011   0.054     0.459  100.000  100.000
LGA    R   107_A      R   107_A     0.664     0    0.027   0.964     6.102   92.857   70.519
LGA    R   108_A      R   108_A     0.382     0    0.018   0.867     4.719  100.000   73.074
LGA    T   109_A      T   109_A     0.456     0    0.070   0.083     0.738   97.619   95.918
LGA    E   110_A      E   110_A     0.266     0    0.051   0.374     1.175   97.619   94.762
LGA    A   111_A      A   111_A     0.448     0    0.039   0.035     0.462  100.000  100.000
LGA    K   112_A      K   112_A     0.500     0    0.028   0.130     0.564   95.238   94.709
LGA    L   113_A      L   113_A     0.572     0    0.017   0.064     0.641   90.476   90.476
LGA    H   114_A      H   114_A     0.387     0    0.067   1.042     6.194   92.857   67.381
LGA    K   115_A      K   115_A     0.584     0    0.079   0.929     4.989   90.476   78.201
LGA    L   116_A      L   116_A     0.596     0    0.023   0.052     0.870   90.476   90.476
LGA    L   117_A      L   117_A     0.553     0    0.047   1.318     2.753   90.476   81.964
LGA    E   118_A      E   118_A     0.541     0    0.057   0.156     0.882   92.857   92.593
LGA    E   119_A      E   119_A     0.329     0    0.044   1.251     5.396  100.000   76.931
LGA    E   120_A      E   120_A     0.396     0    0.042   0.130     0.584  100.000   98.942
LGA    L   121_A      L   121_A     0.370     0    0.062   0.071     0.485  100.000  100.000
LGA    E   122_A      E   122_A     0.522     0    0.047   0.160     0.951   95.238   92.593
LGA    N   123_A      N   123_A     0.442     0    0.030   0.287     0.968  100.000   98.810
LGA    L   124_A      L   124_A     0.153     0    0.031   0.097     0.274  100.000  100.000
LGA    C   125_A      C   125_A     0.360     0    0.048   0.068     0.716  100.000   96.825
LGA    G   126_A      G   126_A     0.297     0    0.034   0.034     0.313  100.000  100.000
LGA    E   127_A      E   127_A     0.343     0    0.035   0.344     1.146  100.000   94.762
LGA    P   128_A      P   128_A     0.314     0    0.068   0.090     0.605   97.619   98.639
LGA    I   129_A      I   129_A     0.503     0    0.018   0.028     0.611   97.619   94.048
LGA    Q   130_A      Q   130_A     0.408     0    0.064   1.117     3.760   97.619   83.175
LGA    L   131_A      L   131_A     0.435     0    0.085   0.095     0.653   95.238   96.429
LGA    S   132_A      S   132_A     0.667     0    0.591   0.613     2.077   86.429   83.333

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      118     472    472  100.00     949    949  100.00               123
SUMMARY(RMSD_GDC):     2.087          2.044                  2.107           88.416   84.061

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  118  123    4.0    114    0.66    92.480    93.178    14.979

LGA_LOCAL      RMSD:   0.661  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.209  Number of assigned atoms:  118 
Std_ASGN_ATOMS RMSD:   2.087  Standard rmsd on all 118 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.353602 * X  +  -0.713478 * Y  +  -0.604909 * Z  +  -5.800937
  Y_new =  -0.481630 * X  +  -0.415502 * Y  +   0.771615 * Z  + -29.038561
  Z_new =  -0.801871 * X  +   0.564187 * Y  +  -0.196710 * Z  +  10.258632 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.204094  0.930421  1.906277   [DEG: -126.2853   53.3092  109.2216 ]
ZXZ: -2.476714  1.768798 -0.957666   [DEG: -141.9053  101.3446  -54.8702 ]
 
# END of job
