
#######################################################
#                                                     #
#                        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  116 (  967),  selected  114 , name one
# Molecule2: number of CA atoms  114 (  953),  selected  114 , 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:   114       3_A - 116_A       0.86     0.86
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114       3_A - 116_A       0.86     0.86
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114       3_A - 116_A       0.86     0.86
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  114
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     G     3_A     G     3_A    114  114  114     15   96  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E     4_A     E     4_A    114  114  114     37   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E     5_A     E     5_A    114  114  114     29   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E     6_A     E     6_A    114  114  114     24   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R     7_A     R     7_A    114  114  114     29   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     F     8_A     F     8_A    114  114  114     29   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R     9_A     R     9_A    114  114  114     26   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    10_A     A    10_A    114  114  114     24   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    11_A     Y    11_A    114  114  114     23   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    12_A     Y    12_A    114  114  114     24   95  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    13_A     E    13_A    114  114  114     24   95  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    14_A     R    14_A    114  114  114     24   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    15_A     Y    15_A    114  114  114     24   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     F    16_A     F    16_A    114  114  114     24   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    17_A     A    17_A    114  114  114     23   96  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    18_A     A    18_A    114  114  114     23   84  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    19_A     L    19_A    114  114  114     24   84  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    20_A     A    20_A    114  114  114     24   84  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    21_A     A    21_A    114  114  114     24   96  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    22_A     R    22_A    114  114  114     24   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D    23_A     D    23_A    114  114  114     35   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    24_A     Y    24_A    114  114  114     19   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    25_A     E    25_A    114  114  114     11   93  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     T    26_A     T    26_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    27_A     L    27_A    114  114  114     35   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    28_A     L    28_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    29_A     E    29_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     I    30_A     I    30_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    31_A     L    31_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    32_A     R    32_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    33_A     E    33_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     F    34_A     F    34_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G    35_A     G    35_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V    36_A     V    36_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    37_A     A    37_A    114  114  114     23   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     K    38_A     K    38_A    114  114  114     30   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    39_A     L    39_A    114  114  114     37   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V    40_A     V    40_A    114  114  114     27   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    41_A     L    41_A    114  114  114     37   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     N    42_A     N    42_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G    43_A     G    43_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    44_A     R    44_A    114  114  114     37   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    45_A     E    45_A    114  114  114     13   96  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     F    46_A     F    46_A    114  114  114     37   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    47_A     A    47_A    114  114  114     24   96  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     S    48_A     S    48_A    114  114  114     14   91  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     P    49_A     P    49_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    50_A     E    50_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    51_A     E    51_A    114  114  114     13   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    52_A     A    52_A    114  114  114     24   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V    53_A     V    53_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Q    54_A     Q    54_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     W    55_A     W    55_A    114  114  114     24   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    56_A     A    56_A    114  114  114     20   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    57_A     R    57_A    114  114  114     35   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D    58_A     D    58_A    114  114  114     37   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     T    59_A     T    59_A    114  114  114     20   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G    60_A     G    60_A    114  114  114     13   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    61_A     L    61_A    114  114  114     13   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    62_A     R    62_A    114  114  114     16   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     F    63_A     F    63_A    114  114  114     12   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    64_A     L    64_A    114  114  114     27   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    65_A     R    65_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    66_A     L    66_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     I    67_A     I    67_A    114  114  114     37   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    68_A     R    68_A    114  114  114     37   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    69_A     E    69_A    114  114  114     27   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    70_A     R    70_A    114  114  114     37   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    71_A     Y    71_A    114  114  114     32   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    72_A     E    72_A    114  114  114     27   65  108  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D    73_A     D    73_A    114  114  114     18   47  105  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G    74_A     G    74_A    114  114  114      4   55  108  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V    75_A     V    75_A    114  114  114     30   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    76_A     Y    76_A    114  114  114     37   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     T    77_A     T    77_A    114  114  114     37   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V    78_A     V    78_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    79_A     E    79_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D    80_A     D    80_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     I    81_A     I    81_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V    82_A     V    82_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     S    83_A     S    83_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    84_A     R    84_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D    85_A     D    85_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D    86_A     D    86_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G    87_A     G    87_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    88_A     R    88_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    89_A     Y    89_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    90_A     Y    90_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    91_A     R    91_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     H    92_A     H    92_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     T    93_A     T    93_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     S    94_A     S    94_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     T    95_A     T    95_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    96_A     L    96_A    114  114  114     37   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    97_A     R    97_A    114  114  114     25   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    98_A     R    98_A    114  114  114     37   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Q    99_A     Q    99_A    114  114  114     37   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     P   100_A     P   100_A    114  114  114     37   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D   101_A     D   101_A    114  114  114     37   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G   102_A     G   102_A    114  114  114     37   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     S   103_A     S   103_A    114  114  114     37   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y   104_A     Y   104_A    114  114  114     37   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V   105_A     V   105_A    114  114  114     37   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Q   106_A     Q   106_A    114  114  114     37   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y   107_A     Y   107_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     S   108_A     S   108_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Q   109_A     Q   109_A    114  114  114     34   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L   110_A     L   110_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E   111_A     E   111_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L   112_A     L   112_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L   113_A     L   113_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G   114_A     G   114_A    114  114  114     24   87  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     S   115_A     S   115_A    114  114  114     42   97  110  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G   116_A     G   116_A    114  114  114      3    8   31   96  111  114  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
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     42     97    110    113    113    114    114    114    114    114    114    114    114    114    114    114    114    114    114    114 
GDT PERCENT_AT  36.84  85.09  96.49  99.12  99.12 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.67   0.75   0.80   0.80   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86
GDT RMS_ALL_AT   0.99   0.86   0.87   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  E     6_A      E     6_A
#   possible swapping detected:  Y    11_A      Y    11_A
#   possible swapping detected:  E    13_A      E    13_A
#   possible swapping detected:  Y    15_A      Y    15_A
#   possible swapping detected:  E    25_A      E    25_A
#   possible swapping detected:  E    29_A      E    29_A
#   possible swapping detected:  F    34_A      F    34_A
#   possible swapping detected:  F    46_A      F    46_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    51_A      E    51_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  Y    71_A      Y    71_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  Y    76_A      Y    76_A
#   possible swapping detected:  Y    90_A      Y    90_A
#   possible swapping detected:  Y   104_A      Y   104_A
#   possible swapping detected:  Y   107_A      Y   107_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_A      G     3_A     1.095     0    0.379   0.379     2.604   82.262   82.262
LGA    E     4_A      E     4_A     0.379     0    0.087   0.264     1.845   97.619   89.683
LGA    E     5_A      E     5_A     0.560     0    0.029   0.195     0.908   92.857   91.534
LGA    E     6_A      E     6_A     0.814     0    0.013   0.927     3.265   90.476   78.413
LGA    R     7_A      R     7_A     0.505     0    0.013   0.399     1.759   90.476   90.693
LGA    F     8_A      F     8_A     0.602     0    0.020   0.088     0.814   90.476   91.342
LGA    R     9_A      R     9_A     0.703     0    0.098   0.437     2.194   88.214   86.623
LGA    A    10_A      A    10_A     0.931     0    0.026   0.038     1.083   88.214   88.667
LGA    Y    11_A      Y    11_A     1.112     0    0.089   1.395     9.766   85.952   48.968
LGA    Y    12_A      Y    12_A     1.157     0    0.030   1.381     7.904   81.429   53.016
LGA    E    13_A      E    13_A     1.184     0    0.014   0.108     1.530   81.429   80.476
LGA    R    14_A      R    14_A     0.954     0    0.024   0.095     1.044   88.214   89.654
LGA    Y    15_A      Y    15_A     1.028     0    0.042   0.192     2.554   83.690   75.952
LGA    F    16_A      F    16_A     0.824     0    0.048   1.299     7.939   90.476   55.844
LGA    A    17_A      A    17_A     1.052     0    0.063   0.074     1.342   83.690   83.238
LGA    A    18_A      A    18_A     1.307     0    0.064   0.077     1.345   81.429   81.429
LGA    L    19_A      L    19_A     1.359     0    0.023   1.336     3.407   81.429   72.381
LGA    A    20_A      A    20_A     1.484     0    0.056   0.064     1.704   79.286   78.000
LGA    A    21_A      A    21_A     1.019     0    0.063   0.074     1.196   85.952   86.857
LGA    R    22_A      R    22_A     0.999     0    0.044   1.037     3.136   90.476   81.126
LGA    D    23_A      D    23_A     0.531     0    0.024   0.110     0.666   90.476   94.048
LGA    Y    24_A      Y    24_A     1.003     0    0.067   0.101     1.468   83.690   83.690
LGA    E    25_A      E    25_A     1.081     0    0.142   1.359     6.130   88.214   65.608
LGA    T    26_A      T    26_A     0.590     0    0.012   0.060     0.835   90.476   93.197
LGA    L    27_A      L    27_A     0.838     0    0.020   1.381     3.646   90.476   78.036
LGA    L    28_A      L    28_A     0.685     0    0.032   0.117     0.726   90.476   90.476
LGA    E    29_A      E    29_A     0.453     0    0.087   0.402     1.516   97.619   93.810
LGA    I    30_A      I    30_A     0.521     0    0.016   0.047     0.777   92.857   91.667
LGA    L    31_A      L    31_A     0.690     0    0.022   0.043     0.851   90.476   90.476
LGA    R    32_A      R    32_A     0.542     0    0.042   1.085     6.851   92.857   68.052
LGA    E    33_A      E    33_A     0.519     0    0.020   0.533     2.500   90.476   78.201
LGA    F    34_A      F    34_A     0.505     0    0.007   0.107     0.801   97.619   94.805
LGA    G    35_A      G    35_A     0.544     0    0.089   0.089     0.544   95.238   95.238
LGA    V    36_A      V    36_A     0.282     0    0.094   0.132     0.424  100.000  100.000
LGA    A    37_A      A    37_A     0.783     0    0.021   0.040     0.996   90.476   90.476
LGA    K    38_A      K    38_A     0.698     0    0.060   0.606     1.219   90.476   88.466
LGA    L    39_A      L    39_A     0.807     0    0.025   1.249     5.210   90.476   71.488
LGA    V    40_A      V    40_A     0.844     0    0.017   0.018     0.976   90.476   90.476
LGA    L    41_A      L    41_A     0.718     0    0.031   0.769     2.450   90.476   85.060
LGA    N    42_A      N    42_A     0.820     0    0.018   0.068     0.961   90.476   90.476
LGA    G    43_A      G    43_A     0.605     0    0.022   0.022     0.774   90.476   90.476
LGA    R    44_A      R    44_A     0.836     0    0.050   1.317     7.469   90.476   60.433
LGA    E    45_A      E    45_A     0.981     0    0.043   0.707     3.818   90.476   71.640
LGA    F    46_A      F    46_A     0.840     0    0.086   0.253     1.999   88.214   83.160
LGA    A    47_A      A    47_A     1.032     0    0.018   0.030     1.550   81.548   83.333
LGA    S    48_A      S    48_A     1.219     0    0.079   0.098     1.528   85.952   83.016
LGA    P    49_A      P    49_A     0.559     0    0.048   0.072     1.100   92.857   90.544
LGA    E    50_A      E    50_A     0.882     0    0.015   1.245     3.362   90.476   81.005
LGA    E    51_A      E    51_A     0.919     0    0.023   0.986     2.671   90.476   79.101
LGA    A    52_A      A    52_A     0.739     0    0.018   0.019     0.819   92.857   92.381
LGA    V    53_A      V    53_A     0.314     0    0.061   0.073     0.458  100.000  100.000
LGA    Q    54_A      Q    54_A     0.571     0    0.033   0.102     1.433   92.857   89.524
LGA    W    55_A      W    55_A     0.792     0    0.034   0.181     1.674   90.476   81.565
LGA    A    56_A      A    56_A     0.744     0    0.009   0.015     0.884   90.476   90.476
LGA    R    57_A      R    57_A     0.516     0    0.035   1.558     7.689   92.857   66.667
LGA    D    58_A      D    58_A     0.491     0    0.033   0.091     0.653   95.238   97.619
LGA    T    59_A      T    59_A     0.660     0    0.037   0.069     1.226   88.214   86.599
LGA    G    60_A      G    60_A     0.893     0    0.060   0.060     0.893   90.476   90.476
LGA    L    61_A      L    61_A     0.852     0    0.016   0.190     1.709   88.214   83.750
LGA    R    62_A      R    62_A     0.930     0    0.083   0.891     4.423   92.857   67.489
LGA    F    63_A      F    63_A     1.055     0    0.027   0.112     1.315   83.690   88.052
LGA    L    64_A      L    64_A     0.947     0    0.017   0.282     1.174   88.214   85.952
LGA    R    65_A      R    65_A     0.721     0    0.017   0.457     1.165   95.238   92.294
LGA    L    66_A      L    66_A     0.428     0    0.013   0.126     0.682   97.619   95.238
LGA    I    67_A      I    67_A     0.378     0    0.043   0.150     0.925   95.238   94.048
LGA    R    68_A      R    68_A     0.739     0    0.016   1.045     4.975   90.476   74.372
LGA    E    69_A      E    69_A     0.865     0    0.035   0.662     2.933   88.214   74.656
LGA    R    70_A      R    70_A     0.785     0    0.013   0.887     3.031   90.476   84.329
LGA    Y    71_A      Y    71_A     0.976     0    0.052   0.147     1.430   88.214   87.500
LGA    E    72_A      E    72_A     1.754     0    0.189   0.551     3.151   67.262   62.646
LGA    D    73_A      D    73_A     2.119     0    0.299   0.833     5.913   77.381   55.119
LGA    G    74_A      G    74_A     1.588     0    0.025   0.025     1.732   77.143   77.143
LGA    V    75_A      V    75_A     0.692     0    0.022   0.103     1.015   88.214   90.544
LGA    Y    76_A      Y    76_A     0.560     0    0.025   0.126     0.789   95.238   92.063
LGA    T    77_A      T    77_A     0.255     0    0.022   0.033     0.550   97.619   97.279
LGA    V    78_A      V    78_A     0.155     0    0.029   0.040     0.365  100.000  100.000
LGA    E    79_A      E    79_A     0.101     0    0.021   0.661     2.987  100.000   81.799
LGA    D    80_A      D    80_A     0.120     0    0.030   0.404     1.027  100.000   96.488
LGA    I    81_A      I    81_A     0.216     0    0.037   0.104     0.606  100.000   98.810
LGA    V    82_A      V    82_A     0.202     0    0.066   0.089     0.438  100.000  100.000
LGA    S    83_A      S    83_A     0.500     0    0.024   0.117     0.763   97.619   96.825
LGA    R    84_A      R    84_A     0.464     0    0.025   0.584     3.241   95.238   86.147
LGA    D    85_A      D    85_A     0.707     0    0.087   0.112     1.201   92.857   89.405
LGA    D    86_A      D    86_A     0.911     0    0.028   0.092     1.057   88.214   89.345
LGA    G    87_A      G    87_A     0.980     0    0.039   0.039     1.051   88.214   88.214
LGA    R    88_A      R    88_A     0.825     0    0.029   0.997     4.317   90.476   77.792
LGA    Y    89_A      Y    89_A     0.653     0    0.026   0.241     1.616   90.476   86.746
LGA    Y    90_A      Y    90_A     0.240     0    0.019   0.127     0.855  100.000   96.825
LGA    R    91_A      R    91_A     0.218     0    0.007   0.496     2.232  100.000   92.554
LGA    H    92_A      H    92_A     0.347     0    0.019   0.072     0.549  100.000   99.048
LGA    T    93_A      T    93_A     0.298     0    0.041   0.072     0.627   97.619   97.279
LGA    S    94_A      S    94_A     0.316     0    0.050   0.610     1.985  100.000   95.476
LGA    T    95_A      T    95_A     0.382     0    0.018   0.028     0.619   95.238   97.279
LGA    L    96_A      L    96_A     0.589     0    0.033   0.206     0.874   90.476   90.476
LGA    R    97_A      R    97_A     0.734     0    0.017   1.293     6.868   90.476   63.074
LGA    R    98_A      R    98_A     0.595     0    0.022   1.025     5.124   90.476   76.277
LGA    Q    99_A      Q    99_A     0.496     0    0.017   1.045     2.577   95.238   87.989
LGA    P   100_A      P   100_A     0.724     0    0.047   0.096     1.004   90.476   89.184
LGA    D   101_A      D   101_A     0.551     0    0.048   0.089     0.860   90.476   90.476
LGA    G   102_A      G   102_A     0.761     0    0.011   0.011     0.825   90.476   90.476
LGA    S   103_A      S   103_A     0.698     0    0.025   0.043     0.775   90.476   90.476
LGA    Y   104_A      Y   104_A     0.664     0    0.040   0.129     1.311   90.476   86.706
LGA    V   105_A      V   105_A     0.728     0    0.009   0.046     0.855   90.476   90.476
LGA    Q   106_A      Q   106_A     0.559     0    0.024   0.147     1.188   90.476   87.460
LGA    Y   107_A      Y   107_A     0.447     0    0.013   0.097     0.995  100.000   94.444
LGA    S   108_A      S   108_A     0.342     0    0.037   0.076     0.532  100.000   96.825
LGA    Q   109_A      Q   109_A     0.766     0    0.047   0.824     3.695   90.476   77.566
LGA    L   110_A      L   110_A     0.495     0    0.054   0.113     1.023   97.619   94.107
LGA    E   111_A      E   111_A     0.247     0    0.017   0.737     2.441  100.000   85.238
LGA    L   112_A      L   112_A     0.410     0    0.017   0.050     0.572  100.000   96.429
LGA    L   113_A      L   113_A     0.726     0    0.113   0.150     1.022   88.214   90.536
LGA    G   114_A      G   114_A     1.297     0    0.029   0.029     1.297   85.952   85.952
LGA    S   115_A      S   115_A     0.907     0    0.083   0.117     2.340   79.643   77.460
LGA    G   116_A      G   116_A     3.438     0    0.056   0.056     4.985   44.405   44.405

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      114     456    456  100.00     953    953  100.00               114
SUMMARY(RMSD_GDC):     0.860          0.888                  1.678           90.577   85.057

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  116  114    4.0    114    0.86    96.053    98.442    11.869

LGA_LOCAL      RMSD:   0.860  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.860  Number of assigned atoms:  114 
Std_ASGN_ATOMS RMSD:   0.860  Standard rmsd on all 114 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.957799 * X  +  -0.083806 * Y  +  -0.274950 * Z  +  12.628497
  Y_new =  -0.286655 * X  +  -0.349039 * Y  +  -0.892188 * Z  +  -5.009755
  Z_new =  -0.021198 * X  +   0.933353 * Y  +  -0.358333 * Z  +  10.726975 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.290801  0.021199  1.937364   [DEG:  -16.6617    1.2146  111.0028 ]
ZXZ: -0.298939  1.937278 -0.022708   [DEG:  -17.1280  110.9979   -1.3010 ]
 
# END of job
