
#######################################################
#                                                     #
#                        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  131 (  981),  selected  121 , name one
# Molecule2: number of CA atoms  121 (  907),  selected  121 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.77     0.77
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.77     0.77
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.77     0.77
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  121
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    11_B     H    11_C    121  121  121     27  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    12_B     T    12_C    121  121  121     73  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    13_B     D    13_C    121  121  121     73  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    14_B     K    14_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    15_B     L    15_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     W    16_B     W    16_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    17_B     Y    17_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    18_B     I    18_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    19_B     L    19_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    20_B     Q    20_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    21_B     E    21_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    22_B     L    22_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    23_B     T    23_C    121  121  121     66  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    24_B     S    24_C    121  121  121     69  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    25_B     N    25_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    26_B     R    26_C    121  121  121      3    4    4   88  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    27_B     G    27_C    121  121  121      3  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    28_B     D    28_C    121  121  121     24  105  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    29_B     I    29_C    121  121  121     66  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    30_B     Q    30_C    121  121  121     59  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    31_B     G    31_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     C    32_B     C    32_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    33_B     T    33_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    34_B     I    34_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    35_B     V    35_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    36_B     T    36_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    37_B     T    37_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    38_B     Q    38_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    39_B     G    39_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    40_B     L    40_C    121  121  121     72  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    41_B     P    41_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    42_B     I    42_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    43_B     T    43_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    44_B     S    44_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    45_B     L    45_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    46_B     L    46_C    121  121  121     36  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    47_B     A    47_C    121  121  121     46  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    48_B     D    48_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    49_B     D    49_C    121  121  121     38  100  117  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    50_B     A    50_C    121  121  121     61  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    51_B     N    51_C    121  121  121     38  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    52_B     V    52_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    53_B     S    53_C    121  121  121     72  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    54_B     L    54_C    121  121  121     68  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    55_B     I    55_C    121  121  121     68  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    56_B     S    56_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    57_B     A    57_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M    58_B     M    58_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    59_B     S    59_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    60_B     A    60_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    61_B     A    61_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    62_B     I    62_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    63_B     I    63_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    64_B     S    64_C    121  121  121     72  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    65_B     V    65_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    66_B     A    66_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    67_B     E    67_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    68_B     S    68_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    69_B     A    69_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    70_B     S    70_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    71_B     Q    71_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    72_B     E    72_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    73_B     L    73_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    74_B     Q    74_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    75_B     R    75_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    76_B     G    76_C    121  121  121     62  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    77_B     Y    77_C    121  121  121     35  105  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    78_B     L    78_C    121  121  121     66  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    79_B     Q    79_C    121  121  121     60  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    80_B     R    80_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    81_B     I    81_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    82_B     L    82_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    83_B     L    83_C    121  121  121     71  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    84_B     E    84_C    121  121  121     72  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    85_B     G    85_C    121  121  121     48  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    86_B     E    86_C    121  121  121     14   86  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    87_B     L    87_C    121  121  121      5   84  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    88_B     G    88_C    121  121  121     19   90  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    89_B     T    89_C    121  121  121     41  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    90_B     I    90_C    121  121  121     69  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    91_B     I    91_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    92_B     I    92_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    93_B     S    93_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    94_B     K    94_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    95_B     A    95_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    96_B     G    96_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    97_B     P    97_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     H    98_B     H    98_C    121  121  121     74  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    99_B     A    99_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   100_B     I   100_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   101_B     L   101_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   102_B     V   102_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S   103_B     S   103_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   104_B     L   104_C    121  121  121     64  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   105_B     V   105_C    121  121  121     41  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   106_B     D   106_C    121  121  121     50  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   107_B     K   107_C    121  121  121     26   90  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   108_B     D   108_C    121  121  121     20   86  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   109_B     A   109_C    121  121  121     43   90  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   110_B     K   110_C    121  121  121     41  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   111_B     L   111_C    121  121  121     65  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G   112_B     G   112_C    121  121  121     74  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   113_B     I   113_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   114_B     I   114_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   115_B     L   115_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   116_B     M   116_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   117_B     L   117_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   118_B     I   118_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   119_B     D   119_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   120_B     K   120_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   121_B     A   121_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   122_B     I   122_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   123_B     K   123_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q   124_B     Q   124_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   125_B     I   125_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   126_B     A   126_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E   127_B     E   127_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   128_B     L   128_C    121  121  121     76  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   129_B     M   129_C    121  121  121     74  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   130_B     D   130_C    121  121  121     65  106  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   131_B     A   131_C    121  121  121      3    3    3  105  114  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     76    106    118    119    120    121    121    121    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  62.81  87.60  97.52  98.35  99.17 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.48   0.65   0.66   0.70   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77
GDT RMS_ALL_AT   0.84   0.80   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77

# Checking swapping
#   possible swapping detected:  D    49_B      D    49_C
#   possible swapping detected:  E    67_B      E    67_C
#   possible swapping detected:  E    84_B      E    84_C
#   possible swapping detected:  D   106_B      D   106_C
#   possible swapping detected:  E   127_B      E   127_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    11_B      H    11_C     1.035     0    0.194   1.173     5.334   88.214   67.190
LGA    T    12_B      T    12_C     0.503     0    0.034   1.130     3.076   95.238   83.742
LGA    D    13_B      D    13_C     0.467     0    0.043   1.187     4.518  100.000   79.524
LGA    K    14_B      K    14_C     0.298     0    0.015   0.562     3.040  100.000   89.365
LGA    L    15_B      L    15_C     0.226     0    0.038   0.103     0.493  100.000  100.000
LGA    W    16_B      W    16_C     0.264     0    0.069   0.080     0.870  100.000   93.878
LGA    Y    17_B      Y    17_C     0.096     0    0.029   0.183     0.966  100.000   96.825
LGA    I    18_B      I    18_C     0.214     0    0.015   0.058     0.265  100.000  100.000
LGA    L    19_B      L    19_C     0.275     0    0.018   0.055     0.449  100.000  100.000
LGA    Q    20_B      Q    20_C     0.195     0    0.047   1.240     3.561  100.000   82.910
LGA    E    21_B      E    21_C     0.252     0    0.027   1.063     4.929  100.000   78.148
LGA    L    22_B      L    22_C     0.528     0    0.020   1.364     3.115   97.619   84.643
LGA    T    23_B      T    23_C     0.592     0    0.027   0.066     0.731   92.857   91.837
LGA    S    24_B      S    24_C     0.361     0    0.045   0.621     2.727  100.000   92.857
LGA    N    25_B      N    25_C     0.784     0    0.524   0.444     2.513   84.048   77.679
LGA    R    26_B      R    26_C     2.505     0    0.634   1.395     6.839   55.952   44.329
LGA    G    27_B      G    27_C     0.649     0    0.062   0.062     0.835   90.476   90.476
LGA    D    28_B      D    28_C     1.229     0    0.129   1.128     2.712   88.214   78.631
LGA    I    29_B      I    29_C     0.517     0    0.058   0.098     0.844   90.476   90.476
LGA    Q    30_B      Q    30_C     0.632     0    0.061   0.132     1.803   95.238   85.714
LGA    G    31_B      G    31_C     0.228     0    0.058   0.058     0.343  100.000  100.000
LGA    C    32_B      C    32_C     0.228     0    0.040   0.136     0.553  100.000   98.413
LGA    T    33_B      T    33_C     0.251     0    0.019   0.173     0.554  100.000   98.639
LGA    I    34_B      I    34_C     0.197     0    0.015   0.055     0.328  100.000  100.000
LGA    V    35_B      V    35_C     0.086     0    0.025   0.080     0.219  100.000  100.000
LGA    T    36_B      T    36_C     0.209     0    0.049   0.094     0.451  100.000  100.000
LGA    T    37_B      T    37_C     0.200     0    0.025   0.093     0.887  100.000   95.918
LGA    Q    38_B      Q    38_C     0.420     0    0.071   0.805     3.761   95.238   85.397
LGA    G    39_B      G    39_C     0.516     0    0.034   0.034     0.701   92.857   92.857
LGA    L    40_B      L    40_C     0.718     0    0.039   0.087     1.497   95.238   89.464
LGA    P    41_B      P    41_C     0.290     0    0.018   0.039     0.547  100.000   97.279
LGA    I    42_B      I    42_C     0.357     0    0.022   0.057     0.378  100.000  100.000
LGA    T    43_B      T    43_C     0.336     0    0.035   0.049     0.402  100.000  100.000
LGA    S    44_B      S    44_C     0.286     0    0.041   0.635     2.483   97.619   92.540
LGA    L    45_B      L    45_C     0.616     0    0.070   0.739     2.368   92.857   87.321
LGA    L    46_B      L    46_C     0.861     0    0.015   0.082     0.963   90.476   90.476
LGA    A    47_B      A    47_C     1.021     0    0.020   0.030     1.256   85.952   85.048
LGA    D    48_B      D    48_C     0.273     0    0.036   0.084     1.212   92.857   90.595
LGA    D    49_B      D    49_C     1.511     0    0.117   0.824     2.162   79.286   78.452
LGA    A    50_B      A    50_C     1.105     0    0.118   0.134     1.201   81.429   83.238
LGA    N    51_B      N    51_C     1.160     0    0.094   0.140     1.819   83.690   81.488
LGA    V    52_B      V    52_C     0.441     0    0.033   0.066     0.631   92.857   95.918
LGA    S    53_B      S    53_C     0.760     0    0.014   0.652     3.094   88.214   82.222
LGA    L    54_B      L    54_C     1.068     0    0.030   0.073     1.560   83.690   81.488
LGA    I    55_B      I    55_C     0.869     0    0.012   0.022     1.018   90.476   89.345
LGA    S    56_B      S    56_C     0.688     0    0.046   0.060     0.744   90.476   90.476
LGA    A    57_B      A    57_C     0.803     0    0.015   0.022     0.838   90.476   90.476
LGA    M    58_B      M    58_C     0.716     0    0.031   1.228     5.008   90.476   79.226
LGA    S    59_B      S    59_C     0.509     0    0.022   0.636     2.602   95.238   89.683
LGA    A    60_B      A    60_C     0.562     0    0.017   0.027     0.681   90.476   90.476
LGA    A    61_B      A    61_C     0.797     0    0.014   0.018     0.965   90.476   90.476
LGA    I    62_B      I    62_C     0.579     0    0.028   0.150     1.075   95.238   91.726
LGA    I    63_B      I    63_C     0.188     0    0.032   0.078     0.440  100.000  100.000
LGA    S    64_B      S    64_C     0.642     0    0.046   0.729     2.013   90.476   86.190
LGA    V    65_B      V    65_C     0.601     0    0.023   0.045     0.732   90.476   90.476
LGA    A    66_B      A    66_C     0.445     0    0.017   0.023     0.467  100.000  100.000
LGA    E    67_B      E    67_C     0.449     0    0.022   1.093     3.829   97.619   79.312
LGA    S    68_B      S    68_C     0.537     0    0.019   0.742     2.862   90.476   84.921
LGA    A    69_B      A    69_C     0.485     0    0.019   0.020     0.541   97.619   96.190
LGA    S    70_B      S    70_C     0.636     0    0.015   0.062     0.695   90.476   90.476
LGA    Q    71_B      Q    71_C     0.722     0    0.029   0.694     2.711   90.476   77.354
LGA    E    72_B      E    72_C     0.648     0    0.061   0.680     1.986   90.476   83.598
LGA    L    73_B      L    73_C     0.651     0    0.058   0.277     0.883   90.476   91.667
LGA    Q    74_B      Q    74_C     0.673     0    0.094   0.131     2.974   95.238   80.212
LGA    R    75_B      R    75_C     0.441     0    0.096   1.175     2.728   97.619   84.416
LGA    G    76_B      G    76_C     0.672     0    0.069   0.069     0.672   92.857   92.857
LGA    Y    77_B      Y    77_C     1.180     0    0.071   0.081     2.951   85.952   71.270
LGA    L    78_B      L    78_C     0.498     0    0.102   0.171     0.748   92.857   96.429
LGA    Q    79_B      Q    79_C     0.695     0    0.043   0.344     1.829   95.238   86.667
LGA    R    80_B      R    80_C     0.582     0    0.066   0.775     2.571   92.857   84.286
LGA    I    81_B      I    81_C     0.653     0    0.016   0.688     2.791   90.476   86.310
LGA    L    82_B      L    82_C     0.509     0    0.058   0.156     1.205   90.476   89.345
LGA    L    83_B      L    83_C     0.478     0    0.049   0.803     2.020   97.619   91.012
LGA    E    84_B      E    84_C     0.340     0    0.078   0.293     1.647   95.238   91.693
LGA    G    85_B      G    85_C     1.048     0    0.015   0.015     1.129   83.690   83.690
LGA    E    86_B      E    86_C     1.474     0    0.043   0.718     2.649   77.143   74.974
LGA    L    87_B      L    87_C     1.752     0    0.036   0.050     2.550   72.857   68.869
LGA    G    88_B      G    88_C     1.608     0    0.045   0.045     1.628   77.143   77.143
LGA    T    89_B      T    89_C     0.890     0    0.059   0.137     1.217   85.952   86.599
LGA    I    90_B      I    90_C     0.383     0    0.007   0.060     0.498  100.000  100.000
LGA    I    91_B      I    91_C     0.202     0    0.041   0.072     0.520  100.000   98.810
LGA    I    92_B      I    92_C     0.513     0    0.029   0.045     0.622   92.857   91.667
LGA    S    93_B      S    93_C     0.658     0    0.023   0.118     1.068   92.857   90.556
LGA    K    94_B      K    94_C     0.346     0    0.020   0.392     2.245  100.000   92.963
LGA    A    95_B      A    95_C     0.392     0    0.040   0.061     0.597   97.619   98.095
LGA    G    96_B      G    96_C     0.278     0    0.068   0.068     0.639   97.619   97.619
LGA    P    97_B      P    97_C     0.271     0    0.060   0.068     0.437  100.000  100.000
LGA    H    98_B      H    98_C     0.468     0    0.047   1.148     3.276   97.619   86.000
LGA    A    99_B      A    99_C     0.267     0    0.045   0.056     0.548   97.619   98.095
LGA    I   100_B      I   100_C     0.471     0    0.048   1.192     2.787  100.000   84.643
LGA    L   101_B      L   101_C     0.254     0    0.017   0.080     0.327  100.000  100.000
LGA    V   102_B      V   102_C     0.171     0    0.011   0.037     0.378  100.000  100.000
LGA    S   103_B      S   103_C     0.132     0    0.046   0.063     0.191  100.000  100.000
LGA    L   104_B      L   104_C     0.543     0    0.009   0.079     1.026   92.857   90.536
LGA    V   105_B      V   105_C     0.826     0    0.095   1.178     2.786   90.476   82.041
LGA    D   106_B      D   106_C     0.904     0    0.029   0.913     2.811   85.952   78.631
LGA    K   107_B      K   107_C     1.498     0    0.070   0.984     7.553   77.143   57.672
LGA    D   108_B      D   108_C     1.676     0    0.077   0.111     1.974   75.000   73.929
LGA    A   109_B      A   109_C     1.277     0    0.093   0.116     1.443   83.690   83.238
LGA    K   110_B      K   110_C     1.030     0    0.123   1.458     7.784   83.690   62.169
LGA    L   111_B      L   111_C     0.517     0    0.075   1.357     3.325   95.238   82.381
LGA    G   112_B      G   112_C     0.433     0    0.074   0.074     0.680   97.619   97.619
LGA    I   113_B      I   113_C     0.335     0    0.010   0.046     0.467  100.000  100.000
LGA    I   114_B      I   114_C     0.434     0    0.042   0.628     1.831  100.000   94.226
LGA    L   115_B      L   115_C     0.384     0    0.045   0.085     0.765  100.000   96.429
LGA    M   116_B      M   116_C     0.168     0    0.050   1.181     4.964  100.000   86.071
LGA    L   117_B      L   117_C     0.329     0    0.056   0.159     0.460  100.000  100.000
LGA    I   118_B      I   118_C     0.359     0    0.058   0.087     0.465  100.000  100.000
LGA    D   119_B      D   119_C     0.275     0    0.082   0.244     0.870  100.000   96.429
LGA    K   120_B      K   120_C     0.224     0    0.016   0.424     1.920  100.000   95.926
LGA    A   121_B      A   121_C     0.117     0    0.021   0.029     0.269  100.000  100.000
LGA    I   122_B      I   122_C     0.375     0    0.055   1.356     2.910  100.000   84.643
LGA    K   123_B      K   123_C     0.089     0    0.027   0.958     5.092  100.000   83.122
LGA    Q   124_B      Q   124_C     0.138     0    0.021   0.270     0.934  100.000   98.942
LGA    I   125_B      I   125_C     0.242     0    0.020   0.027     0.354  100.000  100.000
LGA    A   126_B      A   126_C     0.294     0    0.036   0.045     0.438  100.000  100.000
LGA    E   127_B      E   127_C     0.353     0    0.050   0.116     0.936  100.000   95.767
LGA    L   128_B      L   128_C     0.344     0    0.062   1.097     2.501   97.619   89.048
LGA    M   129_B      M   129_C     0.513     0    0.046   0.073     0.653   92.857   95.238
LGA    D   130_B      D   130_C     0.646     0    0.612   0.909     4.643   86.071   69.464
LGA    A   131_B      A   131_C     3.573     0    0.496   0.514     5.822   39.524   35.905

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      121     484    484  100.00     907    907  100.00               121
SUMMARY(RMSD_GDC):     0.768          0.807                  1.364           93.303   88.601

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    121    0.77    96.488    98.666    13.936

LGA_LOCAL      RMSD:   0.768  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.768  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   0.768  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.909569 * X  +  -0.055925 * Y  +   0.411773 * Z  +  21.175983
  Y_new =  -0.415553 * X  +   0.124110 * Y  +  -0.901062 * Z  +  -2.939859
  Z_new =  -0.000714 * X  +  -0.990691 * Y  +  -0.136126 * Z  +  22.561169 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.713042  0.000714 -1.707346   [DEG: -155.4458    0.0409  -97.8237 ]
ZXZ:  0.428649  1.707346 -3.140872   [DEG:   24.5598   97.8237 -179.9587 ]
 
# END of job
