
#######################################################
#                                                     #
#                        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       2.18     2.18
  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     2.19
  LCS_AVERAGE:     93.98

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      12_A - 132_A       0.95     2.34
  LCS_AVERAGE:     88.46

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      4    5  126      3    3    4    4    4   13   28   46   68   98  115  118  126  126  126  126  126  126  126  126 
LCS_GDT     N     8_A     N     8_A      4  125  126      3    3    4    4    4    5    6   28   55  100  115  118  126  126  126  126  126  126  126  126 
LCS_GDT     L     9_A     L     9_A      4  125  126      3    3    4    4    4    5    9   29   54   96  117  123  126  126  126  126  126  126  126  126 
LCS_GDT     Y    10_A     Y    10_A      4  125  126      3    3    4    4    4    8   16   29   55  102  117  123  126  126  126  126  126  126  126  126 
LCS_GDT     F    11_A     F    11_A     56  125  126      3    3    3   20   42   60   96  111  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     Q    12_A     Q    12_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     S    13_A     S    13_A    121  125  126     42   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     S    14_A     S    14_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     A    15_A     A    15_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     K    16_A     K    16_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     Q    17_A     Q    17_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     D    18_A     D    18_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     F    19_A     F    19_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     A    20_A     A    20_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     E    21_A     E    21_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     G    22_A     G    22_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     V    23_A     V    23_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     K    24_A     K    24_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     L    25_A     L    25_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     W    26_A     W    26_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     Q    27_A     Q    27_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     E    28_A     E    28_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     N    29_A     N    29_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     A    30_A     A    30_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     V    31_A     V    31_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     L    32_A     L    32_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     W    33_A     W    33_A    121  125  126     46   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     T    34_A     T    34_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     R    35_A     R    35_A    121  125  126     33   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     L    36_A     L    36_A    121  125  126     33   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     V    37_A     V    37_A    121  125  126     33   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     Q    38_A     Q    38_A    121  125  126     33   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     A    39_A     A    39_A    121  125  126     48   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     F    40_A     F    40_A    121  125  126     31   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     Q    41_A     Q    41_A    121  125  126     33   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     S    42_A     S    42_A    121  125  126     41   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     G    43_A     G    43_A    121  125  126     42   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     D    44_A     D    44_A    121  125  126     42   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     Q    45_A     Q    45_A    121  125  126     15   79  111  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     S    46_A     S    46_A    121  125  126     27   77  107  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     T    47_A     T    47_A    121  125  126     41   80  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     V    48_A     V    48_A    121  125  126     42   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     D    49_A     D    49_A    121  125  126     41   80  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     S    50_A     S    50_A    121  125  126     41   80  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     L    51_A     L    51_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     L    52_A     L    52_A    121  125  126     42   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     K    53_A     K    53_A    121  125  126     41   80  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     Q    54_A     Q    54_A    121  125  126     43   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     L    55_A     L    55_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     D    56_A     D    56_A    121  125  126     42   80  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     A    57_A     A    57_A    121  125  126     42   80  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     N    58_A     N    58_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     A    59_A     A    59_A    121  125  126     42   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     A    60_A     A    60_A    121  125  126     42   80  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     R    61_A     R    61_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     V    62_A     V    62_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     E    63_A     E    63_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     Q    64_A     Q    64_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     L    65_A     L    65_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     L    66_A     L    66_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     Q    67_A     Q    67_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     R    68_A     R    68_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     I    69_A     I    69_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     I    70_A     I    70_A    121  125  126     18   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     S    71_A     S    71_A    121  125  126     18   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     E    72_A     E    72_A    121  125  126     12   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     T    73_A     T    73_A    121  125  126     12   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     G    74_A     G    74_A    121  125  126     22   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     D    75_A     D    75_A    121  125  126     13   46  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     E    76_A     E    76_A    121  125  126     18   46  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     L    77_A     L    77_A    121  125  126     20   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     A    78_A     A    78_A    121  125  126     13   80  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     R    79_A     R    79_A    121  125  126     13   51  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     K    80_A     K    80_A    121  125  126     13   77  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     G    81_A     G    81_A    121  125  126      9   22  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     E    82_A     E    82_A    121  125  126     10   32   96  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     S    83_A     S    83_A    121  125  126      5   37   96  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     L    84_A     L    84_A    121  125  126     10   51  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     F    85_A     F    85_A    121  125  126     10   32   99  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     Q    86_A     Q    86_A    121  125  126     14   65  109  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     R    87_A     R    87_A    121  125  126     13   77  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     N    88_A     N    88_A    121  125  126     13   42  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     Q    89_A     Q    89_A    121  125  126     13   77  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     Q    90_A     Q    90_A    121  125  126     13   78  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     L    91_A     L    91_A    121  125  126     13   78  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     F    92_A     F    92_A    121  125  126     13   77  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     S    93_A     S    93_A    121  125  126     13   63  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     Q    94_A     Q    94_A    121  125  126     18   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     L    95_A     L    95_A    121  125  126     13   64  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     K    96_A     K    96_A    121  125  126     11   46  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     T    97_A     T    97_A    121  125  126     11   78  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     L    98_A     L    98_A    121  125  126     11   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     F    99_A     F    99_A    121  125  126     11   42  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     S   100_A     S   100_A    121  125  126     11   46  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     Q   101_A     Q   101_A    121  125  126     11   80  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     G   102_A     G   102_A    121  125  126     11   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     D   103_A     D   103_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     E   104_A     E   104_A    121  125  126      5   80  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     D   105_A     D   105_A    121  125  126     33   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     T   106_A     T   106_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     A   107_A     A   107_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     K   108_A     K   108_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     A   109_A     A   109_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     V   110_A     V   110_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     L   111_A     L   111_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_A     E   112_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     E   113_A     E   113_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     I   114_A     I   114_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     Q   115_A     Q   115_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     S   116_A     S   116_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     N   117_A     N   117_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     L   118_A     L   118_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     N   119_A     N   119_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     Q   120_A     Q   120_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     I   121_A     I   121_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     Q   122_A     Q   122_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     Q   123_A     Q   123_A    121  125  126     24   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     I   124_A     I   124_A    121  125  126     48   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     I   125_A     I   125_A    121  125  126     49   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     T   126_A     T   126_A    121  125  126     24   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     E   127_A     E   127_A    121  125  126     24   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     A   128_A     A   128_A    121  125  126     24   81  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     Q   129_A     Q   129_A    121  125  126     24   78  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     K   130_A     K   130_A    121  125  126     24   51  111  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     R   131_A     R   131_A    121  125  126     24   80  112  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_A     L   132_A    121  125  126      5   80  111  121  121  121  121  121  121  122  122  123  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  92.63  (  88.46   93.98   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     49     81    112    121    121    121    121    121    121    122    122    123    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  37.12  61.36  84.85  91.67  91.67  91.67  91.67  91.67  91.67  92.42  92.42  93.18  95.45  95.45  95.45  95.45  95.45  95.45  95.45  95.45
GDT RMS_LOCAL    0.35   0.58   0.86   0.95   0.95   0.95   0.95   0.95   0.95   1.17   1.17   1.47   2.18   2.18   2.18   2.18   2.18   2.18   2.18   2.18
GDT RMS_ALL_AT   2.31   2.31   2.34   2.34   2.34   2.34   2.34   2.34   2.34   2.29   2.29   2.25   2.18   2.18   2.18   2.18   2.18   2.18   2.18   2.18

# 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    12.360     0    0.021   0.898    12.663    0.000    0.370
LGA    N     8_A      N     8_A    12.379     0    0.115   0.292    15.181    0.000    0.000
LGA    L     9_A      L     9_A    10.312     0    0.674   0.604    12.501    0.476    0.238
LGA    Y    10_A      Y    10_A    10.387     0    0.425   1.356    20.470    1.071    0.357
LGA    F    11_A      F    11_A     7.666     0    0.613   0.482    16.401   14.405    5.368
LGA    Q    12_A      Q    12_A     0.545     0    0.606   0.995     5.050   80.357   62.540
LGA    S    13_A      S    13_A     0.783     0    0.090   0.587     1.712   90.476   86.032
LGA    S    14_A      S    14_A     0.670     0    0.069   0.646     2.144   95.238   89.365
LGA    A    15_A      A    15_A     0.337     0    0.017   0.019     0.457  100.000  100.000
LGA    K    16_A      K    16_A     0.446     0    0.026   0.598     2.024  100.000   90.847
LGA    Q    17_A      Q    17_A     0.367     0    0.010   1.592     6.060  100.000   75.026
LGA    D    18_A      D    18_A     0.333     0    0.015   0.047     0.432  100.000  100.000
LGA    F    19_A      F    19_A     0.344     0    0.030   0.060     0.474  100.000  100.000
LGA    A    20_A      A    20_A     0.325     0    0.015   0.019     0.362  100.000  100.000
LGA    E    21_A      E    21_A     0.336     0    0.041   1.032     4.454  100.000   77.143
LGA    G    22_A      G    22_A     0.351     0    0.009   0.009     0.354  100.000  100.000
LGA    V    23_A      V    23_A     0.272     0    0.018   0.037     0.299  100.000  100.000
LGA    K    24_A      K    24_A     0.186     0    0.014   0.630     2.429  100.000   92.169
LGA    L    25_A      L    25_A     0.209     0    0.008   0.034     0.434  100.000  100.000
LGA    W    26_A      W    26_A     0.126     0    0.043   1.272     9.081  100.000   51.463
LGA    Q    27_A      Q    27_A     0.304     0    0.031   0.105     0.597  100.000   98.942
LGA    E    28_A      E    28_A     0.341     0    0.015   0.038     0.765  100.000   96.825
LGA    N    29_A      N    29_A     0.251     0    0.015   0.065     0.368  100.000  100.000
LGA    A    30_A      A    30_A     0.281     0    0.021   0.019     0.324  100.000  100.000
LGA    V    31_A      V    31_A     0.307     0    0.015   0.021     0.404  100.000  100.000
LGA    L    32_A      L    32_A     0.246     0    0.014   0.030     0.385  100.000  100.000
LGA    W    33_A      W    33_A     0.443     0    0.040   1.574     5.537  100.000   74.830
LGA    T    34_A      T    34_A     0.517     0    0.026   0.036     0.786   92.857   93.197
LGA    R    35_A      R    35_A     0.577     0    0.005   1.690     8.441   90.476   55.714
LGA    L    36_A      L    36_A     0.662     0    0.020   0.820     2.334   90.476   86.131
LGA    V    37_A      V    37_A     0.966     0    0.027   0.044     1.409   88.214   85.306
LGA    Q    38_A      Q    38_A     0.988     0    0.022   0.167     1.705   90.476   82.593
LGA    A    39_A      A    39_A     0.366     0    0.021   0.026     0.595   97.619   98.095
LGA    F    40_A      F    40_A     0.690     0    0.044   0.140     1.272   92.857   85.584
LGA    Q    41_A      Q    41_A     0.913     0    0.030   0.044     2.242   90.476   80.741
LGA    S    42_A      S    42_A     0.517     0    0.097   0.631     2.915   92.857   86.508
LGA    G    43_A      G    43_A     0.752     0    0.028   0.028     1.366   90.595   90.595
LGA    D    44_A      D    44_A     1.009     0    0.073   0.088     1.510   83.690   82.619
LGA    Q    45_A      Q    45_A     1.569     0    0.035   1.410     5.102   75.000   63.439
LGA    S    46_A      S    46_A     1.864     0    0.058   0.675     2.131   75.000   72.937
LGA    T    47_A      T    47_A     1.240     0    0.017   0.043     1.451   83.690   84.014
LGA    V    48_A      V    48_A     0.925     0    0.021   0.050     1.318   88.214   86.599
LGA    D    49_A      D    49_A     1.491     0    0.035   0.040     2.016   81.429   76.131
LGA    S    50_A      S    50_A     1.445     0    0.431   0.412     3.252   71.429   74.762
LGA    L    51_A      L    51_A     0.840     0    0.033   0.069     1.124   88.214   89.345
LGA    L    52_A      L    52_A     0.984     0    0.014   0.150     1.302   85.952   88.214
LGA    K    53_A      K    53_A     1.402     0    0.400   0.359     3.208   71.429   81.005
LGA    Q    54_A      Q    54_A     1.036     0    0.033   0.766     2.396   85.952   81.640
LGA    L    55_A      L    55_A     0.747     0    0.013   0.114     1.026   88.214   91.726
LGA    D    56_A      D    56_A     1.251     0    0.026   0.809     3.188   81.429   71.310
LGA    A    57_A      A    57_A     1.257     0    0.016   0.015     1.301   81.429   81.429
LGA    N    58_A      N    58_A     0.703     0    0.016   0.048     0.874   90.476   90.476
LGA    A    59_A      A    59_A     0.986     0    0.010   0.010     1.148   85.952   85.048
LGA    A    60_A      A    60_A     1.238     0    0.030   0.034     1.496   85.952   85.048
LGA    R    61_A      R    61_A     0.563     0    0.015   1.049     5.927   95.238   75.584
LGA    V    62_A      V    62_A     0.485     0    0.049   1.123     2.869   95.238   84.762
LGA    E    63_A      E    63_A     0.736     0    0.015   0.873     2.899   90.476   81.958
LGA    Q    64_A      Q    64_A     0.826     0    0.016   0.089     1.361   90.476   86.455
LGA    L    65_A      L    65_A     0.492     0    0.025   0.052     0.592   92.857   96.429
LGA    L    66_A      L    66_A     0.703     0    0.035   1.406     3.467   90.476   78.036
LGA    Q    67_A      Q    67_A     0.604     0    0.019   0.227     0.956   95.238   92.593
LGA    R    68_A      R    68_A     0.385     0    0.014   0.028     0.471  100.000  100.000
LGA    I    69_A      I    69_A     0.539     0    0.028   0.051     0.785   92.857   91.667
LGA    I    70_A      I    70_A     0.814     0    0.038   0.047     1.034   90.476   89.345
LGA    S    71_A      S    71_A     0.780     0    0.110   0.111     0.780   90.476   90.476
LGA    E    72_A      E    72_A     0.955     0    0.112   0.925     4.179   85.952   74.339
LGA    T    73_A      T    73_A     1.051     0    0.124   1.146     3.511   81.429   73.605
LGA    G    74_A      G    74_A     0.892     0    0.130   0.130     1.045   85.952   85.952
LGA    D    75_A      D    75_A     1.574     0    0.084   0.639     4.069   75.000   66.488
LGA    E    76_A      E    76_A     1.563     0    0.032   0.860     5.744   77.143   57.831
LGA    L    77_A      L    77_A     0.737     0    0.035   0.065     1.064   88.214   90.536
LGA    A    78_A      A    78_A     1.104     0    0.027   0.036     1.345   83.690   83.238
LGA    R    79_A      R    79_A     1.557     0    0.017   1.505     7.696   77.143   50.909
LGA    K    80_A      K    80_A     1.149     0    0.039   0.045     1.254   81.429   84.444
LGA    G    81_A      G    81_A     1.337     0    0.095   0.095     1.725   77.143   77.143
LGA    E    82_A      E    82_A     1.908     0    0.014   0.061     2.382   68.810   68.360
LGA    S    83_A      S    83_A     2.003     0    0.058   0.670     3.157   70.833   67.698
LGA    L    84_A      L    84_A     1.607     0    0.011   1.363     2.766   72.857   72.083
LGA    F    85_A      F    85_A     1.780     0    0.035   0.690     4.381   72.857   62.641
LGA    Q    86_A      Q    86_A     1.633     0    0.045   0.173     2.398   77.143   71.164
LGA    R    87_A      R    87_A     1.292     0    0.009   0.100     1.417   81.429   84.719
LGA    N    88_A      N    88_A     1.474     0    0.038   0.804     2.158   81.429   78.274
LGA    Q    89_A      Q    89_A     1.218     0    0.026   0.208     1.317   81.429   88.571
LGA    Q    90_A      Q    90_A     1.181     0    0.017   0.062     1.293   81.429   81.429
LGA    L    91_A      L    91_A     1.117     0    0.066   0.114     1.190   81.429   83.690
LGA    F    92_A      F    92_A     1.207     0    0.015   0.261     1.295   81.429   83.896
LGA    S    93_A      S    93_A     1.318     0    0.088   0.682     2.093   81.429   78.651
LGA    Q    94_A      Q    94_A     0.781     0    0.012   0.886     3.530   90.476   78.942
LGA    L    95_A      L    95_A     1.240     0    0.026   1.392     2.888   81.429   77.440
LGA    K    96_A      K    96_A     1.301     0    0.041   0.869     5.128   81.429   61.270
LGA    T    97_A      T    97_A     1.111     0    0.030   0.028     1.167   81.429   84.014
LGA    L    98_A      L    98_A     0.715     0    0.017   0.080     0.929   90.476   94.048
LGA    F    99_A      F    99_A     1.304     0    0.063   0.358     1.808   81.429   77.532
LGA    S   100_A      S   100_A     1.408     0    0.016   0.027     1.542   81.429   80.000
LGA    Q   101_A      Q   101_A     1.137     0    0.000   0.079     1.389   81.429   82.434
LGA    G   102_A      G   102_A     0.926     0    0.039   0.039     0.942   90.476   90.476
LGA    D   103_A      D   103_A     0.567     0    0.144   0.536     2.209   92.857   85.119
LGA    E   104_A      E   104_A     1.064     0    0.024   0.040     2.258   88.214   77.937
LGA    D   105_A      D   105_A     0.731     0    0.025   0.048     1.316   90.476   87.083
LGA    T   106_A      T   106_A     0.609     0    0.036   0.092     0.725   90.476   90.476
LGA    A   107_A      A   107_A     0.544     0    0.019   0.021     0.592   90.476   90.476
LGA    K   108_A      K   108_A     0.618     0    0.015   0.062     0.720   90.476   90.476
LGA    A   109_A      A   109_A     0.656     0    0.020   0.024     0.674   90.476   90.476
LGA    V   110_A      V   110_A     0.455     0    0.017   0.040     0.534   92.857   95.918
LGA    L   111_A      L   111_A     0.589     0    0.022   0.039     0.676   90.476   90.476
LGA    E   112_A      E   112_A     0.486     0    0.011   0.051     0.566   95.238   96.825
LGA    E   113_A      E   113_A     0.573     0    0.020   0.057     0.861   90.476   90.476
LGA    I   114_A      I   114_A     0.585     0    0.034   0.039     0.652   90.476   90.476
LGA    Q   115_A      Q   115_A     0.428     0    0.019   0.814     3.399   97.619   83.915
LGA    S   116_A      S   116_A     0.573     0    0.068   0.676     2.295   95.238   89.365
LGA    N   117_A      N   117_A     0.520     0    0.020   0.549     1.826   90.476   87.143
LGA    L   118_A      L   118_A     0.758     0    0.018   0.022     1.138   90.476   88.214
LGA    N   119_A      N   119_A     0.656     0    0.029   0.079     1.036   90.476   89.345
LGA    Q   120_A      Q   120_A     0.394     0    0.008   0.232     0.794  100.000   98.942
LGA    I   121_A      I   121_A     0.477     0    0.024   0.052     0.634   97.619   95.238
LGA    Q   122_A      Q   122_A     0.676     0    0.023   1.317     6.507   90.476   65.556
LGA    Q   123_A      Q   123_A     0.710     0    0.021   0.052     1.193   90.476   89.471
LGA    I   124_A      I   124_A     0.390     0    0.020   0.650     1.943  100.000   94.226
LGA    I   125_A      I   125_A     0.470     0    0.018   0.063     0.876   95.238   92.857
LGA    T   126_A      T   126_A     0.832     0    0.008   0.020     1.103   90.476   89.184
LGA    E   127_A      E   127_A     0.776     0    0.017   0.097     1.012   88.214   89.471
LGA    A   128_A      A   128_A     0.725     0    0.026   0.025     0.925   90.476   90.476
LGA    Q   129_A      Q   129_A     1.250     0    0.011   0.098     1.937   79.286   76.667
LGA    K   130_A      K   130_A     1.515     0    0.032   0.590     2.105   77.143   75.767
LGA    R   131_A      R   131_A     1.181     0    0.062   0.588     2.348   81.429   76.147
LGA    L   132_A      L   132_A     1.522     0    0.062   1.392     4.417   61.905   59.881

# 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):     2.178          2.128                  2.950           81.301   77.265

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  132    4.0    121    0.95    85.038    89.925    11.504

LGA_LOCAL      RMSD:   0.952  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.338  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.178  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.666207 * X  +  -0.086365 * Y  +   0.740749 * Z  +  12.762337
  Y_new =   0.731006 * X  +  -0.272269 * Y  +   0.625699 * Z  +  13.024917
  Z_new =   0.147645 * X  +   0.958337 * Y  +   0.244521 * Z  +  -0.959224 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.309850 -0.148186  1.320975   [DEG:  132.3447   -8.4905   75.6863 ]
ZXZ:  2.272196  1.323770  0.152862   [DEG:  130.1873   75.8465    8.7583 ]
 
# END of job
