
#######################################################
#                                                     #
#                        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       0.93     0.93
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114       3_A - 116_A       0.93     0.93
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114       3_A - 116_A       0.93     0.93
  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     21  100  110  111  113  113  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     33  100  110  111  113  113  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     33  100  110  111  113  113  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     33  100  110  111  113  113  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     33  100  110  111  113  113  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     33  100  110  111  113  113  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     29  100  110  111  113  113  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     29  100  110  111  113  113  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     22  100  110  111  113  113  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     29   99  110  111  113  113  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     29   98  110  111  113  113  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     29  100  110  111  113  113  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     29  100  110  111  113  113  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     33  100  110  111  113  113  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     22  100  110  111  113  113  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     22   96  110  111  113  113  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     29   96  110  111  113  113  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     29   95  110  111  113  113  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     29  100  110  111  113  113  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     29  100  110  111  113  113  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     45  100  110  111  113  113  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     29  100  110  111  113  113  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     21  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     45  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     28  100  110  111  113  113  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     54  100  110  111  113  113  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     53  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     33  100  110  111  113  113  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     15  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     33  100  110  111  113  113  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     28  100  110  111  113  113  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     45  100  110  111  113  113  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     54  100  110  111  113  113  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     52  100  110  111  113  113  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     28  100  110  111  113  113  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     28  100  110  111  113  113  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     20  100  110  111  113  113  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     11  100  110  111  113  113  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  100  110  111  113  113  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     27  100  110  111  113  113  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     54  100  110  111  113  113  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     45  100  110  111  113  113  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     31  100  110  111  113  113  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     26  100  110  111  113  113  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     27  100  110  111  113  113  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     22  100  110  111  113  113  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     14   32   97  111  113  113  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      7   20   33   59  113  113  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   15   47  100  113  113  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     21  100  110  111  113  113  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     26  100  110  111  113  113  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     53  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     53  100  110  111  113  113  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     54  100  110  111  113  113  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     51  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     51  100  110  111  113  113  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  100  110  111  113  113  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     27  100  110  111  113  113  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     17  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     45  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     54  100  110  111  113  113  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     14  100  110  111  113  113  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     20   68  110  111  113  113  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     20   99  110  111  113  113  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    3   12   68   89  111  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     54    100    110    111    113    113    114    114    114    114    114    114    114    114    114    114    114    114    114    114 
GDT PERCENT_AT  47.37  87.72  96.49  97.37  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
GDT RMS_LOCAL    0.33   0.64   0.71   0.75   0.86   0.86   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93
GDT RMS_ALL_AT   1.04   0.94   0.94   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93

# 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:  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:  E    69_A      E    69_A
#   possible swapping detected:  Y    71_A      Y    71_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  D    73_A      D    73_A
#   possible swapping detected:  Y    76_A      Y    76_A
#   possible swapping detected:  E    79_A      E    79_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
#   possible swapping detected:  E   111_A      E   111_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_A      G     3_A     1.054     0    0.360   0.360     2.811   82.262   82.262
LGA    E     4_A      E     4_A     0.511     0    0.097   0.373     1.602   95.238   90.635
LGA    E     5_A      E     5_A     0.742     0    0.043   0.220     1.031   90.476   89.471
LGA    E     6_A      E     6_A     0.820     0    0.014   0.970     3.568   90.476   76.032
LGA    R     7_A      R     7_A     0.453     0    0.013   0.805     4.076   97.619   83.160
LGA    F     8_A      F     8_A     0.605     0    0.021   0.183     1.173   90.476   89.697
LGA    R     9_A      R     9_A     0.785     0    0.067   0.967     3.799   88.214   73.680
LGA    A    10_A      A    10_A     0.847     0    0.028   0.041     0.947   90.476   90.476
LGA    Y    11_A      Y    11_A     0.963     0    0.091   1.387     9.554   90.476   50.714
LGA    Y    12_A      Y    12_A     1.120     0    0.038   1.337     8.068   81.429   52.817
LGA    E    13_A      E    13_A     1.220     0    0.021   0.858     2.229   81.429   76.720
LGA    R    14_A      R    14_A     0.864     0    0.020   0.111     0.988   90.476   90.476
LGA    Y    15_A      Y    15_A     0.910     0    0.040   0.157     2.342   85.952   79.444
LGA    F    16_A      F    16_A     0.796     0    0.049   1.303     7.768   90.476   55.844
LGA    A    17_A      A    17_A     0.997     0    0.062   0.073     1.287   85.952   85.048
LGA    A    18_A      A    18_A     1.227     0    0.063   0.076     1.263   81.429   81.429
LGA    L    19_A      L    19_A     1.275     0    0.026   1.342     3.490   81.429   72.381
LGA    A    20_A      A    20_A     1.407     0    0.045   0.054     1.594   79.286   79.714
LGA    A    21_A      A    21_A     1.075     0    0.069   0.081     1.198   85.952   85.048
LGA    R    22_A      R    22_A     1.053     0    0.042   1.031     3.228   85.952   77.879
LGA    D    23_A      D    23_A     0.598     0    0.017   0.145     0.782   90.476   91.667
LGA    Y    24_A      Y    24_A     0.923     0    0.044   0.106     1.526   88.214   84.484
LGA    E    25_A      E    25_A     0.875     0    0.138   1.339     6.026   92.857   68.677
LGA    T    26_A      T    26_A     0.583     0    0.011   0.049     0.740   90.476   90.476
LGA    L    27_A      L    27_A     0.720     0    0.017   1.381     3.593   90.476   79.167
LGA    L    28_A      L    28_A     0.432     0    0.033   0.122     0.501   97.619   98.810
LGA    E    29_A      E    29_A     0.457     0    0.094   0.409     1.733  100.000   93.810
LGA    I    30_A      I    30_A     0.557     0    0.014   0.047     0.772   90.476   90.476
LGA    L    31_A      L    31_A     0.502     0    0.017   0.102     0.656   95.238   92.857
LGA    R    32_A      R    32_A     0.454     0    0.035   1.129     6.812   95.238   72.424
LGA    E    33_A      E    33_A     0.663     0    0.011   0.534     2.499   90.476   79.048
LGA    F    34_A      F    34_A     0.483     0    0.031   0.163     0.778   95.238   94.805
LGA    G    35_A      G    35_A     0.712     0    0.066   0.066     0.712   90.476   90.476
LGA    V    36_A      V    36_A     0.588     0    0.044   0.116     0.811   90.476   91.837
LGA    A    37_A      A    37_A     0.622     0    0.092   0.111     0.767   90.476   92.381
LGA    K    38_A      K    38_A     0.750     0    0.049   0.587     1.662   90.476   88.519
LGA    L    39_A      L    39_A     0.791     0    0.025   1.245     5.237   90.476   71.488
LGA    V    40_A      V    40_A     0.845     0    0.024   0.033     0.907   90.476   90.476
LGA    L    41_A      L    41_A     0.651     0    0.029   0.710     1.988   90.476   88.333
LGA    N    42_A      N    42_A     0.611     0    0.033   0.480     1.856   92.857   89.464
LGA    G    43_A      G    43_A     0.513     0    0.024   0.024     0.599   90.476   90.476
LGA    R    44_A      R    44_A     0.589     0    0.054   1.301     7.157   92.857   63.550
LGA    E    45_A      E    45_A     0.872     0    0.027   0.716     3.935   90.476   70.794
LGA    F    46_A      F    46_A     0.581     0    0.039   0.207     1.406   90.476   88.831
LGA    A    47_A      A    47_A     0.592     0    0.028   0.031     0.800   90.476   90.476
LGA    S    48_A      S    48_A     0.552     0    0.070   0.088     0.758   97.619   95.238
LGA    P    49_A      P    49_A     0.218     0    0.068   0.076     0.472  100.000  100.000
LGA    E    50_A      E    50_A     0.662     0    0.016   1.252     3.873   92.857   80.370
LGA    E    51_A      E    51_A     0.776     0    0.035   1.288     4.981   90.476   74.921
LGA    A    52_A      A    52_A     0.794     0    0.029   0.029     0.957   90.476   90.476
LGA    V    53_A      V    53_A     0.235     0    0.062   0.076     0.363  100.000  100.000
LGA    Q    54_A      Q    54_A     0.366     0    0.036   0.110     1.137  100.000   93.704
LGA    W    55_A      W    55_A     0.867     0    0.039   0.153     2.021   90.476   77.925
LGA    A    56_A      A    56_A     0.863     0    0.012   0.015     1.037   90.476   88.667
LGA    R    57_A      R    57_A     0.484     0    0.029   1.262     6.419   97.619   73.463
LGA    D    58_A      D    58_A     0.389     0    0.050   0.097     0.576   97.619   98.810
LGA    T    59_A      T    59_A     0.485     0    0.043   0.063     1.147   95.238   90.612
LGA    G    60_A      G    60_A     0.645     0    0.021   0.021     0.758   90.476   90.476
LGA    L    61_A      L    61_A     0.853     0    0.018   0.156     1.889   88.214   83.750
LGA    R    62_A      R    62_A     0.971     0    0.080   0.914     4.880   92.857   65.195
LGA    F    63_A      F    63_A     1.021     0    0.021   0.087     1.305   83.690   88.052
LGA    L    64_A      L    64_A     0.863     0    0.029   0.224     1.262   88.214   89.345
LGA    R    65_A      R    65_A     0.932     0    0.041   1.042     5.821   92.857   69.567
LGA    L    66_A      L    66_A     0.305     0    0.039   0.189     0.641  100.000   96.429
LGA    I    67_A      I    67_A     0.411     0    0.025   0.082     0.619   95.238   95.238
LGA    R    68_A      R    68_A     0.620     0    0.023   1.109     5.218   92.857   74.242
LGA    E    69_A      E    69_A     0.712     0    0.021   0.380     1.506   88.214   84.497
LGA    R    70_A      R    70_A     0.646     0    0.024   0.972     5.606   90.476   66.277
LGA    Y    71_A      Y    71_A     1.014     0    0.040   0.179     1.783   83.690   82.302
LGA    E    72_A      E    72_A     2.322     0    0.108   0.617     3.648   57.738   55.132
LGA    D    73_A      D    73_A     3.704     0    0.374   1.259     9.118   57.619   35.833
LGA    G    74_A      G    74_A     2.574     0    0.023   0.023     2.947   62.976   62.976
LGA    V    75_A      V    75_A     0.965     0    0.025   0.078     1.602   83.810   88.027
LGA    Y    76_A      Y    76_A     0.683     0    0.010   0.350     1.188   95.238   90.556
LGA    T    77_A      T    77_A     0.094     0    0.018   0.052     0.700   97.619   95.918
LGA    V    78_A      V    78_A     0.213     0    0.016   1.104     2.327  100.000   89.932
LGA    E    79_A      E    79_A     0.047     0    0.021   0.166     0.891  100.000   98.942
LGA    D    80_A      D    80_A     0.085     0    0.033   0.557     1.363  100.000   95.357
LGA    I    81_A      I    81_A     0.212     0    0.043   0.090     0.493  100.000  100.000
LGA    V    82_A      V    82_A     0.154     0    0.071   0.134     0.403  100.000  100.000
LGA    S    83_A      S    83_A     0.413     0    0.052   0.155     0.787  100.000   98.413
LGA    R    84_A      R    84_A     0.361     0    0.028   0.559     3.140  100.000   87.922
LGA    D    85_A      D    85_A     0.396     0    0.103   0.095     0.774   97.619   95.238
LGA    D    86_A      D    86_A     0.697     0    0.027   0.171     1.187   90.476   87.083
LGA    G    87_A      G    87_A     0.378     0    0.049   0.049     0.699   95.238   95.238
LGA    R    88_A      R    88_A     0.749     0    0.019   0.999     3.730   90.476   79.134
LGA    Y    89_A      Y    89_A     0.641     0    0.031   0.088     1.390   90.476   86.706
LGA    Y    90_A      Y    90_A     0.331     0    0.019   0.101     0.432  100.000  100.000
LGA    R    91_A      R    91_A     0.330     0    0.013   0.386     2.341  100.000   89.264
LGA    H    92_A      H    92_A     0.419     0    0.014   0.120     0.730  100.000   98.095
LGA    T    93_A      T    93_A     0.387     0    0.036   0.056     0.710   95.238   97.279
LGA    S    94_A      S    94_A     0.600     0    0.039   0.581     1.985   92.857   89.127
LGA    T    95_A      T    95_A     0.804     0    0.037   0.067     1.066   88.214   89.184
LGA    L    96_A      L    96_A     0.778     0    0.038   0.213     1.275   92.857   88.274
LGA    R    97_A      R    97_A     0.651     0    0.040   1.245     6.547   90.476   64.286
LGA    R    98_A      R    98_A     0.493     0    0.022   1.055     6.069   97.619   74.199
LGA    Q    99_A      Q    99_A     0.573     0    0.013   0.969     4.310   95.238   77.037
LGA    P   100_A      P   100_A     0.581     0    0.045   0.097     0.926   90.476   90.476
LGA    D   101_A      D   101_A     0.686     0    0.071   0.105     0.769   90.476   92.857
LGA    G   102_A      G   102_A     0.635     0    0.041   0.041     0.722   90.476   90.476
LGA    S   103_A      S   103_A     0.538     0    0.017   0.046     0.602   95.238   95.238
LGA    Y   104_A      Y   104_A     0.693     0    0.034   0.115     1.221   90.476   87.460
LGA    V   105_A      V   105_A     0.723     0    0.008   0.043     1.012   88.214   89.184
LGA    Q   106_A      Q   106_A     0.867     0    0.025   0.145     1.450   90.476   86.455
LGA    Y   107_A      Y   107_A     0.805     0    0.018   0.058     1.050   90.476   89.722
LGA    S   108_A      S   108_A     0.588     0    0.025   0.057     0.659   90.476   90.476
LGA    Q   109_A      Q   109_A     0.724     0    0.035   0.756     4.085   92.857   76.243
LGA    L   110_A      L   110_A     0.401     0    0.039   0.184     1.047   97.619   95.298
LGA    E   111_A      E   111_A     0.343     0    0.018   0.369     1.171  100.000   96.878
LGA    L   112_A      L   112_A     0.615     0    0.015   0.071     0.779   92.857   91.667
LGA    L   113_A      L   113_A     0.997     0    0.095   0.129     1.262   85.952   87.083
LGA    G   114_A      G   114_A     1.563     0    0.026   0.026     1.563   81.548   81.548
LGA    S   115_A      S   115_A     1.095     0    0.067   0.083     2.904   71.190   70.556
LGA    G   116_A      G   116_A     3.797     0    0.052   0.052     4.316   45.238   45.238

# 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):     0.927          0.922                  1.778           90.603   84.406

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  116  114    4.0    114    0.93    96.272    98.473    11.096

LGA_LOCAL      RMSD:   0.927  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.927  Number of assigned atoms:  114 
Std_ASGN_ATOMS RMSD:   0.927  Standard rmsd on all 114 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.928034 * X  +  -0.372487 * Y  +   0.002552 * Z  +  10.892451
  Y_new =  -0.324512 * X  +  -0.811832 * Y  +  -0.485408 * Z  +  -8.890518
  Z_new =   0.182879 * X  +   0.449647 * Y  +  -0.874284 * Z  +   7.640715 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.336387 -0.183914  2.666568   [DEG:  -19.2735  -10.5375  152.7831 ]
ZXZ:  0.005256  2.634756  0.386284   [DEG:    0.3012  150.9604   22.1324 ]
 
# END of job
