
#######################################################
#                                                     #
#                        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  126 ( 1012),  selected  126 , name one
# Molecule2: number of CA atoms  132 ( 1072),  selected  126 , 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:   126       7_A - 132_A       2.45     2.45
  LCS_AVERAGE:     95.45

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       8_A - 132_A       1.96     2.46
  LCS_AVERAGE:     93.97

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      12_A - 132_A       0.94     2.63
  LCS_AVERAGE:     88.44

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
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     E     7_A     E     7_A      3    4  126      3    3    3    3    4    4    5    6   13   15   20   25   35   42   53   74   92  114  122  126 
LCS_GDT     N     8_A     N     8_A      3  125  126      3    3    3    3    4    4    5   16   55  100  104  112  119  124  125  125  125  125  125  126 
LCS_GDT     L     9_A     L     9_A      3  125  126      3    3    3    3    4    4   13   36   59  100  112  124  124  124  125  125  125  125  125  126 
LCS_GDT     Y    10_A     Y    10_A      3  125  126      3    3    3    4    4   11   24   47   72  100  112  124  124  124  125  125  125  125  125  126 
LCS_GDT     F    11_A     F    11_A     56  125  126      3    3   16   31   41   68  100  119  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     Q    12_A     Q    12_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     S    13_A     S    13_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     S    14_A     S    14_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     A    15_A     A    15_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     K    16_A     K    16_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     Q    17_A     Q    17_A    121  125  126     43   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     D    18_A     D    18_A    121  125  126     43   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     F    19_A     F    19_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     A    20_A     A    20_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     E    21_A     E    21_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     G    22_A     G    22_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     V    23_A     V    23_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     K    24_A     K    24_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     L    25_A     L    25_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     W    26_A     W    26_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     Q    27_A     Q    27_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     E    28_A     E    28_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     N    29_A     N    29_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     A    30_A     A    30_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     V    31_A     V    31_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     L    32_A     L    32_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     W    33_A     W    33_A    121  125  126     38   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     T    34_A     T    34_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     R    35_A     R    35_A    121  125  126     29   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     L    36_A     L    36_A    121  125  126     19   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     V    37_A     V    37_A    121  125  126     33   82  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     Q    38_A     Q    38_A    121  125  126     33   82  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     A    39_A     A    39_A    121  125  126     35   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     F    40_A     F    40_A    121  125  126     33   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     Q    41_A     Q    41_A    121  125  126     33   80  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     S    42_A     S    42_A    121  125  126     39   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     G    43_A     G    43_A    121  125  126     43   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     D    44_A     D    44_A    121  125  126     43   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     Q    45_A     Q    45_A    121  125  126     34   79  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     S    46_A     S    46_A    121  125  126     27   77  108  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     T    47_A     T    47_A    121  125  126     43   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     V    48_A     V    48_A    121  125  126     43   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     D    49_A     D    49_A    121  125  126     33   79  112  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     S    50_A     S    50_A    121  125  126     43   81  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     L    51_A     L    51_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     L    52_A     L    52_A    121  125  126     43   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     K    53_A     K    53_A    121  125  126     43   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     Q    54_A     Q    54_A    121  125  126     43   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     L    55_A     L    55_A    121  125  126     43   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     D    56_A     D    56_A    121  125  126     43   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     A    57_A     A    57_A    121  125  126     43   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     N    58_A     N    58_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     A    59_A     A    59_A    121  125  126     43   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     A    60_A     A    60_A    121  125  126     43   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     R    61_A     R    61_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     V    62_A     V    62_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     E    63_A     E    63_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     Q    64_A     Q    64_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     L    65_A     L    65_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     L    66_A     L    66_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     Q    67_A     Q    67_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     R    68_A     R    68_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     I    69_A     I    69_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     I    70_A     I    70_A    121  125  126     15   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     S    71_A     S    71_A    121  125  126     24   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     E    72_A     E    72_A    121  125  126     24   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     T    73_A     T    73_A    121  125  126     22   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     G    74_A     G    74_A    121  125  126      4   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     D    75_A     D    75_A    121  125  126     15   27  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     E    76_A     E    76_A    121  125  126     15   31  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     L    77_A     L    77_A    121  125  126     15   74  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     A    78_A     A    78_A    121  125  126     15   48  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     R    79_A     R    79_A    121  125  126     15   48  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     K    80_A     K    80_A    121  125  126     15   76  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     G    81_A     G    81_A    121  125  126      7   48  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     E    82_A     E    82_A    121  125  126      9   48  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     S    83_A     S    83_A    121  125  126      6   48  103  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     L    84_A     L    84_A    121  125  126     10   48  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     F    85_A     F    85_A    121  125  126      9   48  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     Q    86_A     Q    86_A    121  125  126     13   76  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     R    87_A     R    87_A    121  125  126     15   78  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     N    88_A     N    88_A    121  125  126     15   46  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     Q    89_A     Q    89_A    121  125  126     15   76  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     Q    90_A     Q    90_A    121  125  126     15   79  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     L    91_A     L    91_A    121  125  126     15   79  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     F    92_A     F    92_A    121  125  126     15   56  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     S    93_A     S    93_A    121  125  126     15   50  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     Q    94_A     Q    94_A    121  125  126     23   82  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     L    95_A     L    95_A    121  125  126     15   55  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     K    96_A     K    96_A    121  125  126     12   27  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     T    97_A     T    97_A    121  125  126     12   40  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     L    98_A     L    98_A    121  125  126     12   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     F    99_A     F    99_A    121  125  126     12   27  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     S   100_A     S   100_A    121  125  126     12   24  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     Q   101_A     Q   101_A    121  125  126     12   40  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     G   102_A     G   102_A    121  125  126     12   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     D   103_A     D   103_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     E   104_A     E   104_A    121  125  126     22   82  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     D   105_A     D   105_A    121  125  126     29   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     T   106_A     T   106_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     A   107_A     A   107_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     K   108_A     K   108_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     A   109_A     A   109_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     V   110_A     V   110_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     L   111_A     L   111_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     E   112_A     E   112_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     E   113_A     E   113_A    121  125  126     24   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     I   114_A     I   114_A    121  125  126     24   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     Q   115_A     Q   115_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     S   116_A     S   116_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     N   117_A     N   117_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     L   118_A     L   118_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     N   119_A     N   119_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     Q   120_A     Q   120_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     I   121_A     I   121_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     Q   122_A     Q   122_A    121  125  126     43   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     Q   123_A     Q   123_A    121  125  126     24   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     I   124_A     I   124_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     I   125_A     I   125_A    121  125  126     45   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     T   126_A     T   126_A    121  125  126     24   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     E   127_A     E   127_A    121  125  126     24   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     A   128_A     A   128_A    121  125  126     24   83  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     Q   129_A     Q   129_A    121  125  126     24   44  112  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     K   130_A     K   130_A    121  125  126     24   44  110  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     R   131_A     R   131_A    121  125  126     24   79  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_GDT     L   132_A     L   132_A    121  125  126     22   81  113  121  121  121  121  121  122  122  122  124  124  124  125  125  125  125  125  126 
LCS_AVERAGE  LCS_A:  92.62  (  88.44   93.97   95.45 )

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     45     83    113    121    121    121    121    121    122    122    122    124    124    124    125    125    125    125    125    126 
GDT PERCENT_AT  34.09  62.88  85.61  91.67  91.67  91.67  91.67  91.67  92.42  92.42  92.42  93.94  93.94  93.94  94.70  94.70  94.70  94.70  94.70  95.45
GDT RMS_LOCAL    0.36   0.59   0.87   0.94   0.94   0.94   0.94   0.94   1.15   1.15   1.15   1.68   1.68   1.68   1.96   1.96   1.96   1.96   1.96   2.45
GDT RMS_ALL_AT   2.60   2.63   2.63   2.63   2.63   2.63   2.63   2.63   2.58   2.58   2.58   2.50   2.50   2.50   2.46   2.46   2.46   2.46   2.46   2.45

# Checking swapping
#   possible swapping detected:  Y    10_A      Y    10_A
#   possible swapping detected:  E    21_A      E    21_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  F    99_A      F    99_A
#   possible swapping detected:  D   103_A      D   103_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_A      E     7_A    18.288     0    0.021   0.891    21.285    0.000    0.000
LGA    N     8_A      N     8_A    12.609     0    0.519   0.853    14.633    0.000    0.060
LGA    L     9_A      L     9_A    10.311     0    0.635   0.607    13.585    0.476    0.238
LGA    Y    10_A      Y    10_A    10.321     0    0.425   1.347    20.503    1.429    0.476
LGA    F    11_A      F    11_A     7.455     0    0.613   0.505    16.019   16.905    6.407
LGA    Q    12_A      Q    12_A     0.305     0    0.591   1.023     4.747   89.286   67.037
LGA    S    13_A      S    13_A     0.473     0    0.082   0.589     1.773  100.000   93.889
LGA    S    14_A      S    14_A     0.347     0    0.078   0.649     2.257  100.000   94.127
LGA    A    15_A      A    15_A     0.282     0    0.020   0.024     0.346  100.000  100.000
LGA    K    16_A      K    16_A     0.293     0    0.040   0.566     2.123  100.000   91.905
LGA    Q    17_A      Q    17_A     0.423     0    0.011   1.585     6.040  100.000   74.656
LGA    D    18_A      D    18_A     0.596     0    0.012   0.028     1.091   92.857   90.536
LGA    F    19_A      F    19_A     0.385     0    0.032   0.065     0.686  100.000   97.403
LGA    A    20_A      A    20_A     0.121     0    0.008   0.013     0.222  100.000  100.000
LGA    E    21_A      E    21_A     0.358     0    0.047   0.944     3.610  100.000   79.471
LGA    G    22_A      G    22_A     0.381     0    0.007   0.007     0.381  100.000  100.000
LGA    V    23_A      V    23_A     0.231     0    0.016   0.044     0.286  100.000  100.000
LGA    K    24_A      K    24_A     0.237     0    0.014   0.626     2.588  100.000   90.476
LGA    L    25_A      L    25_A     0.254     0    0.011   0.048     0.533  100.000   98.810
LGA    W    26_A      W    26_A     0.097     0    0.043   1.256     9.053  100.000   51.463
LGA    Q    27_A      Q    27_A     0.336     0    0.032   0.103     0.642  100.000   98.942
LGA    E    28_A      E    28_A     0.378     0    0.016   0.050     0.863  100.000   95.767
LGA    N    29_A      N    29_A     0.261     0    0.013   0.068     0.314  100.000  100.000
LGA    A    30_A      A    30_A     0.365     0    0.021   0.019     0.413  100.000  100.000
LGA    V    31_A      V    31_A     0.416     0    0.014   0.018     0.499  100.000  100.000
LGA    L    32_A      L    32_A     0.324     0    0.015   0.029     0.441  100.000  100.000
LGA    W    33_A      W    33_A     0.460     0    0.046   1.586     5.856  100.000   74.184
LGA    T    34_A      T    34_A     0.576     0    0.025   0.035     0.871   92.857   91.837
LGA    R    35_A      R    35_A     0.650     0    0.011   1.674     8.474   90.476   56.017
LGA    L    36_A      L    36_A     0.749     0    0.019   0.779     2.312   90.476   86.131
LGA    V    37_A      V    37_A     1.054     0    0.029   0.044     1.431   83.690   82.721
LGA    Q    38_A      Q    38_A     1.032     0    0.021   0.167     1.702   88.214   81.587
LGA    A    39_A      A    39_A     0.453     0    0.024   0.030     0.652   95.238   96.190
LGA    F    40_A      F    40_A     0.912     0    0.041   0.127     1.485   90.476   84.719
LGA    Q    41_A      Q    41_A     1.125     0    0.029   0.044     2.449   85.952   76.931
LGA    S    42_A      S    42_A     0.486     0    0.098   0.629     2.668   95.238   88.095
LGA    G    43_A      G    43_A     0.744     0    0.033   0.033     1.245   90.595   90.595
LGA    D    44_A      D    44_A     0.854     0    0.077   0.089     1.348   85.952   84.821
LGA    Q    45_A      Q    45_A     1.511     0    0.024   0.870     2.989   75.000   69.418
LGA    S    46_A      S    46_A     1.731     0    0.058   0.673     1.959   77.143   75.714
LGA    T    47_A      T    47_A     1.051     0    0.010   0.018     1.280   85.952   86.599
LGA    V    48_A      V    48_A     0.948     0    0.007   0.055     1.373   88.214   85.306
LGA    D    49_A      D    49_A     1.538     0    0.014   0.863     4.780   79.286   64.345
LGA    S    50_A      S    50_A     1.371     0    0.022   0.026     1.694   81.429   80.000
LGA    L    51_A      L    51_A     0.755     0    0.031   0.054     0.986   90.476   91.667
LGA    L    52_A      L    52_A     0.987     0    0.022   0.044     1.185   85.952   85.952
LGA    K    53_A      K    53_A     1.199     0    0.000   0.616     1.220   81.429   81.429
LGA    Q    54_A      Q    54_A     0.964     0    0.012   0.076     1.183   88.214   87.460
LGA    L    55_A      L    55_A     0.687     0    0.015   0.062     0.926   90.476   94.048
LGA    D    56_A      D    56_A     1.210     0    0.001   0.820     3.145   81.429   72.381
LGA    A    57_A      A    57_A     1.200     0    0.010   0.013     1.242   81.429   81.429
LGA    N    58_A      N    58_A     0.675     0    0.017   0.047     0.840   90.476   90.476
LGA    A    59_A      A    59_A     0.889     0    0.011   0.009     1.006   88.214   86.857
LGA    A    60_A      A    60_A     1.102     0    0.021   0.024     1.318   85.952   85.048
LGA    R    61_A      R    61_A     0.465     0    0.012   1.622     8.903   97.619   56.667
LGA    V    62_A      V    62_A     0.435     0    0.057   1.129     2.906   97.619   87.483
LGA    E    63_A      E    63_A     0.660     0    0.017   0.870     3.197   90.476   81.164
LGA    Q    64_A      Q    64_A     0.804     0    0.010   0.072     1.624   90.476   85.503
LGA    L    65_A      L    65_A     0.492     0    0.037   0.053     0.624   92.857   96.429
LGA    L    66_A      L    66_A     0.632     0    0.033   1.399     3.131   90.476   79.048
LGA    Q    67_A      Q    67_A     0.663     0    0.025   0.205     0.907   90.476   90.476
LGA    R    68_A      R    68_A     0.641     0    0.052   1.552     3.448   90.476   79.740
LGA    I    69_A      I    69_A     0.554     0    0.008   0.034     0.977   90.476   90.476
LGA    I    70_A      I    70_A     0.705     0    0.040   0.052     0.983   90.476   90.476
LGA    S    71_A      S    71_A     0.821     0    0.099   0.681     1.346   90.476   87.460
LGA    E    72_A      E    72_A     0.754     0    0.128   0.132     1.132   90.476   89.471
LGA    T    73_A      T    73_A     0.771     0    0.119   1.151     3.466   90.476   81.020
LGA    G    74_A      G    74_A     0.857     0    0.150   0.150     1.201   85.952   85.952
LGA    D    75_A      D    75_A     1.688     0    0.066   0.642     4.456   77.143   67.560
LGA    E    76_A      E    76_A     1.454     0    0.022   0.866     5.190   79.286   62.910
LGA    L    77_A      L    77_A     1.141     0    0.040   1.382     2.865   81.429   75.357
LGA    A    78_A      A    78_A     1.337     0    0.028   0.033     1.431   81.429   81.429
LGA    R    79_A      R    79_A     1.476     0    0.020   1.503     7.918   81.429   52.468
LGA    K    80_A      K    80_A     1.193     0    0.024   0.762     4.033   81.429   71.376
LGA    G    81_A      G    81_A     1.288     0    0.085   0.085     1.569   79.286   79.286
LGA    E    82_A      E    82_A     1.637     0    0.012   0.061     1.953   75.000   73.810
LGA    S    83_A      S    83_A     1.830     0    0.059   0.670     3.139   72.857   69.048
LGA    L    84_A      L    84_A     1.578     0    0.010   1.370     2.839   72.857   72.083
LGA    F    85_A      F    85_A     1.631     0    0.034   0.790     4.411   75.000   64.892
LGA    Q    86_A      Q    86_A     1.344     0    0.037   0.183     1.598   81.429   79.524
LGA    R    87_A      R    87_A     1.232     0    0.011   0.090     1.296   81.429   84.719
LGA    N    88_A      N    88_A     1.467     0    0.036   0.800     2.027   81.429   79.405
LGA    Q    89_A      Q    89_A     1.187     0    0.026   0.195     1.280   81.429   87.513
LGA    Q    90_A      Q    90_A     1.130     0    0.022   0.061     1.243   81.429   81.429
LGA    L    91_A      L    91_A     1.112     0    0.061   0.101     1.161   81.429   82.560
LGA    F    92_A      F    92_A     1.267     0    0.012   0.176     1.280   81.429   83.896
LGA    S    93_A      S    93_A     1.241     0    0.084   0.683     2.192   81.429   78.651
LGA    Q    94_A      Q    94_A     0.736     0    0.023   0.891     3.561   90.476   78.942
LGA    L    95_A      L    95_A     1.325     0    0.027   1.394     2.859   81.429   76.369
LGA    K    96_A      K    96_A     1.568     0    0.010   0.720     4.575   77.143   64.656
LGA    T    97_A      T    97_A     1.236     0    0.024   0.023     1.294   81.429   81.429
LGA    L    98_A      L    98_A     0.774     0    0.018   0.072     0.990   90.476   94.048
LGA    F    99_A      F    99_A     1.378     0    0.067   0.354     2.148   81.429   76.017
LGA    S   100_A      S   100_A     1.572     0    0.015   0.022     1.785   77.143   75.714
LGA    Q   101_A      Q   101_A     1.207     0    0.009   0.072     1.582   81.429   81.481
LGA    G   102_A      G   102_A     0.838     0    0.028   0.028     0.931   95.238   95.238
LGA    D   103_A      D   103_A     0.504     0    0.103   0.673     2.936   92.857   86.369
LGA    E   104_A      E   104_A     1.080     0    0.038   0.052     2.200   88.214   77.937
LGA    D   105_A      D   105_A     0.695     0    0.039   0.047     1.197   90.476   88.214
LGA    T   106_A      T   106_A     0.565     0    0.038   0.089     0.677   90.476   90.476
LGA    A   107_A      A   107_A     0.527     0    0.028   0.027     0.606   90.476   90.476
LGA    K   108_A      K   108_A     0.646     0    0.012   0.061     0.761   90.476   90.476
LGA    A   109_A      A   109_A     0.706     0    0.014   0.019     0.706   90.476   90.476
LGA    V   110_A      V   110_A     0.491     0    0.015   0.038     0.607   92.857   95.918
LGA    L   111_A      L   111_A     0.649     0    0.024   0.052     0.832   90.476   90.476
LGA    E   112_A      E   112_A     0.584     0    0.013   0.057     0.719   90.476   90.476
LGA    E   113_A      E   113_A     0.685     0    0.016   0.064     0.883   90.476   90.476
LGA    I   114_A      I   114_A     0.688     0    0.030   0.052     0.736   90.476   90.476
LGA    Q   115_A      Q   115_A     0.460     0    0.023   0.835     3.511   92.857   81.058
LGA    S   116_A      S   116_A     0.589     0    0.067   0.677     2.464   92.857   87.778
LGA    N   117_A      N   117_A     0.579     0    0.020   0.556     1.999   90.476   87.143
LGA    L   118_A      L   118_A     0.749     0    0.018   0.022     1.080   90.476   88.214
LGA    N   119_A      N   119_A     0.649     0    0.031   0.079     1.029   90.476   89.345
LGA    Q   120_A      Q   120_A     0.441     0    0.003   0.231     0.912   97.619   97.884
LGA    I   121_A      I   121_A     0.541     0    0.022   0.067     0.605   90.476   91.667
LGA    Q   122_A      Q   122_A     0.707     0    0.025   1.349     6.610   90.476   65.556
LGA    Q   123_A      Q   123_A     0.750     0    0.019   0.061     1.260   90.476   89.471
LGA    I   124_A      I   124_A     0.453     0    0.022   0.629     2.154   97.619   92.024
LGA    I   125_A      I   125_A     0.598     0    0.015   0.066     0.891   90.476   90.476
LGA    T   126_A      T   126_A     0.927     0    0.011   0.027     1.179   88.214   86.599
LGA    E   127_A      E   127_A     0.851     0    0.022   0.089     1.123   88.214   89.471
LGA    A   128_A      A   128_A     0.787     0    0.013   0.015     1.062   85.952   86.857
LGA    Q   129_A      Q   129_A     1.407     0    0.011   0.100     2.246   77.143   73.016
LGA    K   130_A      K   130_A     1.652     0    0.030   0.613     2.346   77.143   74.868
LGA    R   131_A      R   131_A     1.161     0    0.036   0.601     2.887   81.429   72.597
LGA    L   132_A      L   132_A     1.237     0    0.101   1.401     4.829   65.833   60.179

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00    1012   1012  100.00               132
SUMMARY(RMSD_GDC):     2.447          2.382                  3.243           81.448   76.918

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  132    4.0    121    0.94    85.227    90.026    11.619

LGA_LOCAL      RMSD:   0.941  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.626  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.447  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.046820 * X  +  -0.995667 * Y  +   0.080342 * Z  +   9.665082
  Y_new =  -0.944796 * X  +  -0.018028 * Y  +   0.327163 * Z  +  21.250296
  Z_new =  -0.324297 * X  +  -0.091225 * Y  +  -0.941546 * Z  +   3.206774 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.521281  0.330268 -3.045006   [DEG:  -87.1630   18.9230 -174.4660 ]
ZXZ:  2.900785  2.797988 -1.845010   [DEG:  166.2028  160.3129 -105.7113 ]
 
# END of job
