
#######################################################
#                                                     #
#                        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       2.25     2.25
  LCS_AVERAGE:     95.45

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       9_A - 132_A       1.76     2.28
  LCS_AVERAGE:     92.51

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   117      12_A - 128_A       1.00     2.43
  LCS_AVERAGE:     84.08

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    5  126      3    3    4    4    4    5   16   34   59   87  109  115  125  126  126  126  126  126  126  126 
LCS_GDT     N     8_A     N     8_A      3    5  126      3    3    4    4   20   28   35   47   59   72  109  115  125  126  126  126  126  126  126  126 
LCS_GDT     L     9_A     L     9_A      3  124  126      3    3    4    4    4    5   16   23   47   82  111  123  125  126  126  126  126  126  126  126 
LCS_GDT     Y    10_A     Y    10_A      3  124  126      3    3    4    4    4    8   16   29   52   87  111  118  125  126  126  126  126  126  126  126 
LCS_GDT     F    11_A     F    11_A      3  124  126      3    3    3   21   37   48   99  109  119  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     Q    12_A     Q    12_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     S    13_A     S    13_A    117  124  126     37   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     S    14_A     S    14_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     A    15_A     A    15_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     K    16_A     K    16_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     Q    17_A     Q    17_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     D    18_A     D    18_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     F    19_A     F    19_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     A    20_A     A    20_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     E    21_A     E    21_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     G    22_A     G    22_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     V    23_A     V    23_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     K    24_A     K    24_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     L    25_A     L    25_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     W    26_A     W    26_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     Q    27_A     Q    27_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     E    28_A     E    28_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     N    29_A     N    29_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     A    30_A     A    30_A    117  124  126     35   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     V    31_A     V    31_A    117  124  126     35   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     L    32_A     L    32_A    117  124  126     38   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     W    33_A     W    33_A    117  124  126     36   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     T    34_A     T    34_A    117  124  126     34   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     R    35_A     R    35_A    117  124  126     32   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     L    36_A     L    36_A    117  124  126     29   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     V    37_A     V    37_A    117  124  126     34   77  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     Q    38_A     Q    38_A    117  124  126     34   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     A    39_A     A    39_A    117  124  126     43   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     F    40_A     F    40_A    117  124  126     34   77  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     Q    41_A     Q    41_A    117  124  126     34   73  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     S    42_A     S    42_A    117  124  126     43   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     G    43_A     G    43_A    117  124  126     34   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     D    44_A     D    44_A    117  124  126     35   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     Q    45_A     Q    45_A    117  124  126     34   71   97  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     S    46_A     S    46_A    117  124  126     34   61   96  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     T    47_A     T    47_A    117  124  126     34   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     V    48_A     V    48_A    117  124  126     25   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     D    49_A     D    49_A    117  124  126     34   69   97  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     S    50_A     S    50_A    117  124  126     34   76  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     L    51_A     L    51_A    117  124  126     43   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     L    52_A     L    52_A    117  124  126     35   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     K    53_A     K    53_A    117  124  126     35   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     Q    54_A     Q    54_A    117  124  126     35   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     L    55_A     L    55_A    117  124  126     35   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     D    56_A     D    56_A    117  124  126     35   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     A    57_A     A    57_A    117  124  126     35   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     N    58_A     N    58_A    117  124  126     45   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     A    59_A     A    59_A    117  124  126     35   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     A    60_A     A    60_A    117  124  126     35   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     R    61_A     R    61_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     V    62_A     V    62_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     E    63_A     E    63_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     Q    64_A     Q    64_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     L    65_A     L    65_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     L    66_A     L    66_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     Q    67_A     Q    67_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     R    68_A     R    68_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     I    69_A     I    69_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     I    70_A     I    70_A    117  124  126     32   77  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     S    71_A     S    71_A    117  124  126     23   77  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     E    72_A     E    72_A    117  124  126     19   77  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     T    73_A     T    73_A    117  124  126     10   77  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     G    74_A     G    74_A    117  124  126     20   77  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     D    75_A     D    75_A    117  124  126     12   23  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     E    76_A     E    76_A    117  124  126      8   47  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     L    77_A     L    77_A    117  124  126      8   71  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     A    78_A     A    78_A    117  124  126      8   69  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     R    79_A     R    79_A    117  124  126      7   47  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     K    80_A     K    80_A    117  124  126     12   73  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     G    81_A     G    81_A    117  124  126      9   52  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     E    82_A     E    82_A    117  124  126     12   47  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     S    83_A     S    83_A    117  124  126     12   47  105  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     L    84_A     L    84_A    117  124  126     12   47  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     F    85_A     F    85_A    117  124  126     12   47  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     Q    86_A     Q    86_A    117  124  126     13   47  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     R    87_A     R    87_A    117  124  126     12   73  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     N    88_A     N    88_A    117  124  126     12   38  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     Q    89_A     Q    89_A    117  124  126     12   73  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     Q    90_A     Q    90_A    117  124  126     12   73  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     L    91_A     L    91_A    117  124  126     12   73  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     F    92_A     F    92_A    117  124  126     12   47  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     S    93_A     S    93_A    117  124  126     12   69  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     Q    94_A     Q    94_A    117  124  126     20   75  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     L    95_A     L    95_A    117  124  126     12   68  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     K    96_A     K    96_A    117  124  126     12   26  105  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     T    97_A     T    97_A    117  124  126     12   30  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     L    98_A     L    98_A    117  124  126     12   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     F    99_A     F    99_A    117  124  126     12   26  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     S   100_A     S   100_A    117  124  126     12   26   84  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     Q   101_A     Q   101_A    117  124  126     12   30  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     G   102_A     G   102_A    117  124  126     11   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     D   103_A     D   103_A    117  124  126     43   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     E   104_A     E   104_A    117  124  126     16   75  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     D   105_A     D   105_A    117  124  126     43   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     T   106_A     T   106_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     A   107_A     A   107_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     K   108_A     K   108_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     A   109_A     A   109_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     V   110_A     V   110_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     L   111_A     L   111_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     E   112_A     E   112_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     E   113_A     E   113_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     I   114_A     I   114_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     Q   115_A     Q   115_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     S   116_A     S   116_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     N   117_A     N   117_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     L   118_A     L   118_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     N   119_A     N   119_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     Q   120_A     Q   120_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     I   121_A     I   121_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     Q   122_A     Q   122_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     Q   123_A     Q   123_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     I   124_A     I   124_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     I   125_A     I   125_A    117  124  126     46   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     T   126_A     T   126_A    117  124  126     43   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     E   127_A     E   127_A    117  124  126     33   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     A   128_A     A   128_A    117  124  126     33   78  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     Q   129_A     Q   129_A     71  124  126     13   70  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     K   130_A     K   130_A     71  124  126     19   47  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     R   131_A     R   131_A     71  124  126     19   76  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_GDT     L   132_A     L   132_A     68  124  126     20   74  107  121  121  121  121  121  121  122  122  123  125  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  90.68  (  84.08   92.51   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     46     78    107    121    121    121    121    121    121    122    122    123    125    126    126    126    126    126    126    126 
GDT PERCENT_AT  34.85  59.09  81.06  91.67  91.67  91.67  91.67  91.67  91.67  92.42  92.42  93.18  94.70  95.45  95.45  95.45  95.45  95.45  95.45  95.45
GDT RMS_LOCAL    0.33   0.60   0.88   1.01   1.01   1.01   1.01   1.01   1.01   1.22   1.22   1.53   2.03   2.25   2.25   2.25   2.25   2.25   2.25   2.25
GDT RMS_ALL_AT   2.37   2.37   2.40   2.41   2.41   2.41   2.41   2.41   2.41   2.37   2.37   2.32   2.26   2.25   2.25   2.25   2.25   2.25   2.25   2.25

# Checking swapping
#   possible swapping detected:  Y    10_A      Y    10_A
#   possible swapping detected:  E    21_A      E    21_A
#   possible swapping detected:  D    75_A      D    75_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  F    99_A      F    99_A
#   possible swapping detected:  E   113_A      E   113_A
#   possible swapping detected:  E   127_A      E   127_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_A      E     7_A    12.546     0    0.037   0.806    12.546    0.000    0.053
LGA    N     8_A      N     8_A    12.718     0    0.138   0.317    15.550    0.000    0.000
LGA    L     9_A      L     9_A    10.627     0    0.671   0.628    12.698    0.119    0.060
LGA    Y    10_A      Y    10_A    10.687     0    0.411   1.361    20.839    0.714    0.238
LGA    F    11_A      F    11_A     7.752     0    0.611   0.470    16.521   14.405    5.368
LGA    Q    12_A      Q    12_A     0.546     0    0.605   0.640     5.161   80.357   65.714
LGA    S    13_A      S    13_A     0.762     0    0.098   0.585     1.846   90.476   86.032
LGA    S    14_A      S    14_A     0.611     0    0.069   0.648     2.225   95.238   89.365
LGA    A    15_A      A    15_A     0.279     0    0.023   0.025     0.399  100.000  100.000
LGA    K    16_A      K    16_A     0.359     0    0.023   0.712     2.733  100.000   91.005
LGA    Q    17_A      Q    17_A     0.222     0    0.006   1.583     5.893  100.000   76.243
LGA    D    18_A      D    18_A     0.280     0    0.019   0.048     0.411  100.000  100.000
LGA    F    19_A      F    19_A     0.265     0    0.029   0.073     0.471  100.000  100.000
LGA    A    20_A      A    20_A     0.142     0    0.011   0.017     0.216  100.000  100.000
LGA    E    21_A      E    21_A     0.303     0    0.045   0.994     4.012  100.000   77.989
LGA    G    22_A      G    22_A     0.302     0    0.006   0.006     0.302  100.000  100.000
LGA    V    23_A      V    23_A     0.150     0    0.016   0.040     0.195  100.000  100.000
LGA    K    24_A      K    24_A     0.324     0    0.013   0.627     2.635  100.000   90.476
LGA    L    25_A      L    25_A     0.345     0    0.007   0.049     0.582  100.000   96.429
LGA    W    26_A      W    26_A     0.217     0    0.041   1.246     8.974   97.619   50.884
LGA    Q    27_A      Q    27_A     0.505     0    0.039   0.108     0.695   92.857   93.651
LGA    E    28_A      E    28_A     0.566     0    0.009   0.036     1.039   92.857   90.529
LGA    N    29_A      N    29_A     0.305     0    0.025   0.079     0.385  100.000  100.000
LGA    A    30_A      A    30_A     0.683     0    0.011   0.012     0.829   90.476   90.476
LGA    V    31_A      V    31_A     0.783     0    0.010   0.013     0.908   90.476   90.476
LGA    L    32_A      L    32_A     0.598     0    0.006   0.023     0.713   90.476   94.048
LGA    W    33_A      W    33_A     0.738     0    0.011   1.189     8.438   90.476   49.524
LGA    T    34_A      T    34_A     0.924     0    0.022   0.030     1.176   88.214   87.891
LGA    R    35_A      R    35_A     0.836     0    0.008   1.650     8.484   90.476   56.234
LGA    L    36_A      L    36_A     0.831     0    0.022   0.775     2.341   90.476   85.060
LGA    V    37_A      V    37_A     1.138     0    0.030   0.035     1.454   83.690   82.721
LGA    Q    38_A      Q    38_A     1.068     0    0.019   0.128     1.815   85.952   80.582
LGA    A    39_A      A    39_A     0.448     0    0.027   0.032     0.651   92.857   94.286
LGA    F    40_A      F    40_A     1.102     0    0.044   0.113     1.877   83.690   77.576
LGA    Q    41_A      Q    41_A     1.273     0    0.031   0.039     2.669   85.952   75.132
LGA    S    42_A      S    42_A     0.389     0    0.098   0.629     2.539   95.238   88.095
LGA    G    43_A      G    43_A     0.979     0    0.030   0.030     1.442   85.952   85.952
LGA    D    44_A      D    44_A     0.977     0    0.076   0.093     1.465   85.952   84.821
LGA    Q    45_A      Q    45_A     1.726     0    0.016   0.865     2.930   75.000   69.418
LGA    S    46_A      S    46_A     2.021     0    0.080   0.556     2.639   72.976   68.968
LGA    T    47_A      T    47_A     1.235     0    0.001   0.033     1.515   81.548   82.789
LGA    V    48_A      V    48_A     1.154     0    0.007   0.046     1.611   81.429   80.204
LGA    D    49_A      D    49_A     1.824     0    0.009   0.866     4.982   72.857   58.512
LGA    S    50_A      S    50_A     1.613     0    0.021   0.024     1.976   77.143   75.714
LGA    L    51_A      L    51_A     0.864     0    0.029   0.050     1.135   88.214   90.536
LGA    L    52_A      L    52_A     1.234     0    0.019   0.054     1.624   81.429   80.357
LGA    K    53_A      K    53_A     1.468     0    0.005   0.609     1.708   81.429   77.619
LGA    Q    54_A      Q    54_A     1.157     0    0.013   0.052     1.424   81.429   82.434
LGA    L    55_A      L    55_A     0.890     0    0.008   0.071     1.081   85.952   88.214
LGA    D    56_A      D    56_A     1.458     0    0.011   0.063     1.840   79.286   76.071
LGA    A    57_A      A    57_A     1.444     0    0.014   0.015     1.481   81.429   81.429
LGA    N    58_A      N    58_A     0.825     0    0.013   0.057     1.018   88.214   89.345
LGA    A    59_A      A    59_A     1.086     0    0.019   0.019     1.245   83.690   83.238
LGA    A    60_A      A    60_A     1.337     0    0.021   0.024     1.584   83.690   81.524
LGA    R    61_A      R    61_A     0.633     0    0.010   1.606     8.740   92.857   55.714
LGA    V    62_A      V    62_A     0.575     0    0.051   1.129     2.946   90.476   82.041
LGA    E    63_A      E    63_A     0.841     0    0.014   0.867     2.809   90.476   83.810
LGA    Q    64_A      Q    64_A     0.928     0    0.014   0.070     1.842   90.476   83.545
LGA    L    65_A      L    65_A     0.554     0    0.025   0.055     0.655   90.476   95.238
LGA    L    66_A      L    66_A     0.700     0    0.028   1.407     3.273   90.476   78.036
LGA    Q    67_A      Q    67_A     0.705     0    0.019   0.221     1.050   90.476   89.471
LGA    R    68_A      R    68_A     0.488     0    0.016   0.034     0.578   92.857   97.403
LGA    I    69_A      I    69_A     0.544     0    0.029   0.049     0.600   90.476   90.476
LGA    I    70_A      I    70_A     0.774     0    0.035   0.039     0.996   90.476   90.476
LGA    S    71_A      S    71_A     0.724     0    0.113   0.115     0.724   90.476   90.476
LGA    E    72_A      E    72_A     0.817     0    0.106   0.916     4.096   90.476   77.143
LGA    T    73_A      T    73_A     0.962     0    0.120   1.153     3.576   88.214   77.483
LGA    G    74_A      G    74_A     0.918     0    0.131   0.131     1.279   85.952   85.952
LGA    D    75_A      D    75_A     1.738     0    0.081   0.655     4.670   75.000   64.762
LGA    E    76_A      E    76_A     1.504     0    0.024   0.865     5.270   77.143   60.423
LGA    L    77_A      L    77_A     1.194     0    0.041   1.359     2.875   81.429   76.310
LGA    A    78_A      A    78_A     1.334     0    0.025   0.029     1.420   81.429   81.429
LGA    R    79_A      R    79_A     1.462     0    0.028   1.507     7.748   79.286   54.156
LGA    K    80_A      K    80_A     1.147     0    0.034   0.039     1.257   81.429   82.434
LGA    G    81_A      G    81_A     1.189     0    0.080   0.080     1.489   81.429   81.429
LGA    E    82_A      E    82_A     1.700     0    0.021   0.050     2.191   72.976   70.212
LGA    S    83_A      S    83_A     1.930     0    0.068   0.675     2.874   72.857   70.238
LGA    L    84_A      L    84_A     1.376     0    0.007   0.070     1.550   79.286   83.750
LGA    F    85_A      F    85_A     1.691     0    0.034   0.774     4.492   72.857   64.113
LGA    Q    86_A      Q    86_A     1.713     0    0.050   0.188     2.466   75.000   70.212
LGA    R    87_A      R    87_A     1.535     0    0.009   1.402     8.513   77.143   50.303
LGA    N    88_A      N    88_A     1.546     0    0.009   0.821     1.936   72.857   76.131
LGA    Q    89_A      Q    89_A     1.400     0    0.025   1.500     4.816   81.429   70.317
LGA    Q    90_A      Q    90_A     1.377     0    0.024   0.080     1.430   81.429   81.429
LGA    L    91_A      L    91_A     1.281     0    0.068   0.114     1.377   81.429   81.429
LGA    F    92_A      F    92_A     1.411     0    0.052   1.262     5.655   81.429   62.554
LGA    S    93_A      S    93_A     1.347     0    0.078   0.679     1.986   81.429   80.000
LGA    Q    94_A      Q    94_A     0.841     0    0.025   0.897     3.779   88.214   76.032
LGA    L    95_A      L    95_A     1.350     0    0.025   1.387     2.848   81.429   76.369
LGA    K    96_A      K    96_A     1.640     0    0.016   0.045     2.710   75.000   68.519
LGA    T    97_A      T    97_A     1.298     0    0.025   0.029     1.361   81.429   81.429
LGA    L    98_A      L    98_A     0.806     0    0.011   0.063     1.031   85.952   91.786
LGA    F    99_A      F    99_A     1.434     0    0.070   0.405     2.162   81.429   75.281
LGA    S   100_A      S   100_A     1.761     0    0.006   0.022     2.015   72.857   71.508
LGA    Q   101_A      Q   101_A     1.424     0    0.056   0.052     1.792   81.429   78.571
LGA    G   102_A      G   102_A     0.916     0    0.052   0.052     1.114   90.595   90.595
LGA    D   103_A      D   103_A     0.429     0    0.036   0.210     1.587   97.619   91.845
LGA    E   104_A      E   104_A     1.120     0    0.888   0.670     3.731   74.167   75.344
LGA    D   105_A      D   105_A     0.743     0    0.127   0.125     1.939   88.214   82.679
LGA    T   106_A      T   106_A     0.498     0    0.041   0.072     0.552   97.619   97.279
LGA    A   107_A      A   107_A     0.487     0    0.022   0.028     0.582   95.238   94.286
LGA    K   108_A      K   108_A     0.620     0    0.032   1.103     6.369   90.476   69.206
LGA    A   109_A      A   109_A     0.458     0    0.035   0.038     0.517   97.619   98.095
LGA    V   110_A      V   110_A     0.296     0    0.014   0.037     0.479  100.000  100.000
LGA    L   111_A      L   111_A     0.535     0    0.029   0.052     0.597   92.857   91.667
LGA    E   112_A      E   112_A     0.387     0    0.013   0.101     0.990  100.000   96.825
LGA    E   113_A      E   113_A     0.409     0    0.018   0.899     3.469  100.000   80.159
LGA    I   114_A      I   114_A     0.427     0    0.031   0.065     0.505  100.000   98.810
LGA    Q   115_A      Q   115_A     0.266     0    0.041   0.714     3.809  100.000   82.963
LGA    S   116_A      S   116_A     0.468     0    0.072   0.677     2.441  100.000   94.127
LGA    N   117_A      N   117_A     0.349     0    0.023   0.613     1.693  100.000   94.286
LGA    L   118_A      L   118_A     0.405     0    0.031   0.045     0.601  100.000   98.810
LGA    N   119_A      N   119_A     0.316     0    0.019   0.031     0.432  100.000  100.000
LGA    Q   120_A      Q   120_A     0.295     0    0.007   0.227     1.019  100.000   95.820
LGA    I   121_A      I   121_A     0.395     0    0.020   0.076     0.766  100.000   96.429
LGA    Q   122_A      Q   122_A     0.450     0    0.028   1.314     6.244  100.000   72.381
LGA    Q   123_A      Q   123_A     0.358     0    0.011   0.044     0.637  100.000   98.942
LGA    I   124_A      I   124_A     0.191     0    0.018   0.054     0.429  100.000  100.000
LGA    I   125_A      I   125_A     0.445     0    0.016   0.059     0.815   95.238   92.857
LGA    T   126_A      T   126_A     0.678     0    0.012   0.026     0.860   90.476   90.476
LGA    E   127_A      E   127_A     0.707     0    0.019   0.641     2.474   88.214   78.042
LGA    A   128_A      A   128_A     0.741     0    0.011   0.014     1.076   88.214   88.667
LGA    Q   129_A      Q   129_A     1.297     0    0.019   0.111     2.155   79.286   75.767
LGA    K   130_A      K   130_A     1.516     0    0.024   0.035     2.202   77.143   72.963
LGA    R   131_A      R   131_A     1.101     0    0.056   1.472     5.607   81.429   64.848
LGA    L   132_A      L   132_A     1.611     0    0.106   1.407     4.713   65.357   58.036

# 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):     2.248          2.188                  3.158           80.910   75.635

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  132    4.0    121    1.01    84.470    89.073    10.857

LGA_LOCAL      RMSD:   1.015  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.409  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.248  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.858298 * X  +  -0.231784 * Y  +   0.457822 * Z  +  12.446122
  Y_new =   0.510703 * X  +  -0.298763 * Y  +   0.806178 * Z  +  13.055515
  Z_new =  -0.050079 * X  +   0.925752 * Y  +   0.374800 * Z  +  -1.022350 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.604844  0.050100  1.186107   [DEG:  149.2466    2.8705   67.9589 ]
ZXZ:  2.625117  1.186615 -0.054043   [DEG:  150.4081   67.9880   -3.0964 ]
 
# END of job
