
#######################################################
#                                                     #
#                        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  132 ( 1072),  selected  123 , name one
# Molecule2: number of CA atoms  123 (  980),  selected  123 , 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:   121      12_A - 132_A       4.51     5.95
  LCS_AVERAGE:     97.01

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116      17_A - 132_A       1.71     6.40
  LCS_AVERAGE:     89.31

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   112      21_A - 132_A       0.94     6.60
  LCS_AVERAGE:     83.42

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  123
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     H    10_A     H    10_A      5    8   18      4    5    5    6    7    8    8   11   12   14   15   17   19   21   21   24   29   31   35   40 
LCS_GDT     S    11_A     S    11_A      5    8   18      4    5    5    6    7    8   11   12   12   14   18   20   20   21   28   29   30   33   39   41 
LCS_GDT     S    12_A     S    12_A      5    8  121      4    5    5    6    7    8   11   12   12   14   18   20   22   26   29   32   37   39   44   48 
LCS_GDT     G    13_A     G    13_A      5    8  121      4    5    5    6    7    8   11   12   12   14   18   21   24   26   30   34   37   44   53   56 
LCS_GDT     L    14_A     L    14_A      5    8  121      4    5    5    5    7    8   11   12   12   14   18   22   27   31   34   39   49   60   69   75 
LCS_GDT     V    15_A     V    15_A      5    8  121      4    4    5    6    9   13   17   23   28   35   37   45   64   76   89  106  112  117  118  118 
LCS_GDT     P    16_A     P    16_A      5    8  121      4    4   10   23   32   32   33   38   63   75   92  106  112  117  117  117  117  117  118  118 
LCS_GDT     R    17_A     R    17_A      5  116  121      4    4    5   23   32   32   40   62   79   93  108  116  116  117  117  117  117  117  118  118 
LCS_GDT     G    18_A     G    18_A      4  116  121      4    4    4    5    7    8   71   87  108  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     S    19_A     S    19_A      4  116  121      4   43  103  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     H    20_A     H    20_A     28  116  121      4   11   22   41   83  110  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     M    21_A     M    21_A    112  116  121      8   43   99  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     Q    22_A     Q    22_A    112  116  121     21   86  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     E    23_A     E    23_A    112  116  121     28   90  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     E    24_A     E    24_A    112  116  121     34   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     E    25_A     E    25_A    112  116  121     26   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     F    26_A     F    26_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     H    27_A     H    27_A    112  116  121     29   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     K    28_A     K    28_A    112  116  121     24   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     L    29_A     L    29_A    112  116  121     30   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     A    30_A     A    30_A    112  116  121     30   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     N    31_A     N    31_A    112  116  121     24   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     F    32_A     F    32_A    112  116  121     34   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     T    33_A     T    33_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     I    34_A     I    34_A    112  116  121     24   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     N    35_A     N    35_A    112  116  121     24   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     H    36_A     H    36_A    112  116  121     34   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     L    37_A     L    37_A    112  116  121     34   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     L    38_A     L    38_A    112  116  121     27   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     E    39_A     E    39_A    112  116  121     24   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     K    40_A     K    40_A    112  116  121     24   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     I    41_A     I    41_A    112  116  121     24   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     E    42_A     E    42_A    112  116  121     24   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     D    43_A     D    43_A    112  116  121     23   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     Y    44_A     Y    44_A    112  116  121     31   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     G    45_A     G    45_A    112  116  121     18   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     D    46_A     D    46_A    112  116  121     27   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     N    47_A     N    47_A    112  116  121     23   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     V    48_A     V    48_A    112  116  121      3   31  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     Q    49_A     Q    49_A    112  116  121      4   22   55  106  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     I    50_A     I    50_A    112  116  121     24   75  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     D    51_A     D    51_A    112  116  121     24   90  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     G    52_A     G    52_A    112  116  121      5   10   85  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     F    53_A     F    53_A    112  116  121      5   35  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     D    54_A     D    54_A    112  116  121     28   90  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     I    55_A     I    55_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     D    56_A     D    56_A    112  116  121     30   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     Y    57_A     Y    57_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     G    58_A     G    58_A    112  116  121     18   67  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     N    59_A     N    59_A    112  116  121      6   62  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     E    60_A     E    60_A    112  116  121      6   62  103  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     V    61_A     V    61_A    112  116  121      6   67  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     L    62_A     L    62_A    112  116  121     29   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     T    63_A     T    63_A    112  116  121     29   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     L    64_A     L    64_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     K    65_A     K    65_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     L    66_A     L    66_A    112  116  121     34   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     G    67_A     G    67_A    112  116  121     30   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     S    68_A     S    68_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     L    69_A     L    69_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     G    70_A     G    70_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     T    71_A     T    71_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     Y    72_A     Y    72_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     V    73_A     V    73_A    112  116  121     31   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     L    74_A     L    74_A    112  116  121     31   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     N    75_A     N    75_A    112  116  121     31   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     K    76_A     K    76_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     Q    77_A     Q    77_A    112  116  121     28   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     T    78_A     T    78_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     P    79_A     P    79_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     N    80_A     N    80_A    112  116  121     22   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     R    81_A     R    81_A    112  116  121     33   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     Q    82_A     Q    82_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     I    83_A     I    83_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     W    84_A     W    84_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     M    85_A     M    85_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     S    86_A     S    86_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     S    87_A     S    87_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     P    88_A     P    88_A    112  116  121     33   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     V    89_A     V    89_A    112  116  121     22   90  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     S    90_A     S    90_A    112  116  121     22   90  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     G    91_A     G    91_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     P    92_A     P    92_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     S    93_A     S    93_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     R    94_A     R    94_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     F    95_A     F    95_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     D    96_A     D    96_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     W    97_A     W    97_A    112  116  121     34   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     D    98_A     D    98_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     R    99_A     R    99_A    112  116  121     34   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     D   100_A     D   100_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     A   101_A     A   101_A    112  116  121     30   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     N   102_A     N   102_A    112  116  121     30   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     A   103_A     A   103_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     W   104_A     W   104_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     I   105_A     I   105_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     Y   106_A     Y   106_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     R   107_A     R   107_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     R   108_A     R   108_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     T   109_A     T   109_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     E   110_A     E   110_A    112  116  121     30   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     A   111_A     A   111_A    112  116  121     35   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     K   112_A     K   112_A    112  116  121     20   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     L   113_A     L   113_A    112  116  121     20   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     H   114_A     H   114_A    112  116  121     20   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     K   115_A     K   115_A    112  116  121     17   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     L   116_A     L   116_A    112  116  121     20   68  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     L   117_A     L   117_A    112  116  121     20   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     E   118_A     E   118_A    112  116  121     20   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     E   119_A     E   119_A    112  116  121     20   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     E   120_A     E   120_A    112  116  121     20   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     L   121_A     L   121_A    112  116  121     30   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     E   122_A     E   122_A    112  116  121     27   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     N   123_A     N   123_A    112  116  121     10   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     L   124_A     L   124_A    112  116  121     34   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     C   125_A     C   125_A    112  116  121     30   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     G   126_A     G   126_A    112  116  121     24   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     E   127_A     E   127_A    112  116  121     10   90  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     P   128_A     P   128_A    112  116  121      7   82  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     I   129_A     I   129_A    112  116  121      5   83  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     Q   130_A     Q   130_A    112  116  121     13   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     L   131_A     L   131_A    112  116  121     30   91  107  110  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_GDT     S   132_A     S   132_A    112  116  121      3   13   59  103  112  113  114  114  114  115  115  116  116  117  117  117  117  117  118  118 
LCS_AVERAGE  LCS_A:  89.91  (  83.42   89.31   97.01 )

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     35     91    107    110    112    113    114    114    114    115    115    116    116    117    117    117    117    117    118    118 
GDT PERCENT_AT  28.46  73.98  86.99  89.43  91.06  91.87  92.68  92.68  92.68  93.50  93.50  94.31  94.31  95.12  95.12  95.12  95.12  95.12  95.93  95.93
GDT RMS_LOCAL    0.38   0.64   0.79   0.86   0.93   0.96   1.10   1.10   1.10   1.35   1.35   1.71   1.71   2.07   2.07   2.07   2.07   2.07   2.53   2.53
GDT RMS_ALL_AT   6.65   6.63   6.62   6.61   6.59   6.59   6.54   6.54   6.54   6.49   6.49   6.40   6.40   6.32   6.32   6.32   6.32   6.32   6.22   6.22

# Checking swapping
#   possible swapping detected:  Y    44_A      Y    44_A
#   possible swapping detected:  F    53_A      F    53_A
#   possible swapping detected:  F    95_A      F    95_A
#   possible swapping detected:  E   122_A      E   122_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    10_A      H    10_A    34.183     0    0.275   1.085    39.178    0.000    0.000
LGA    S    11_A      S    11_A    34.208     0    0.486   0.704    35.151    0.000    0.000
LGA    S    12_A      S    12_A    29.686     0    0.097   0.559    31.479    0.000    0.000
LGA    G    13_A      G    13_A    26.261     0    0.305   0.305    27.255    0.000    0.000
LGA    L    14_A      L    14_A    22.637     3    0.141   0.171    23.853    0.000    0.000
LGA    V    15_A      V    15_A    17.272     0    0.054   0.083    19.611    0.000    0.000
LGA    P    16_A      P    16_A    13.581     0    0.076   0.329    14.439    0.000    0.000
LGA    R    17_A      R    17_A    11.984     6    0.669   0.621    12.813    0.000    0.000
LGA    G    18_A      G    18_A     8.508     0    0.090   0.090     8.973   10.000   10.000
LGA    S    19_A      S    19_A     1.912     0    0.432   0.367     4.866   50.833   49.921
LGA    H    20_A      H    20_A     5.780     5    0.604   0.568     8.303   34.762   14.381
LGA    M    21_A      M    21_A     2.348     0    0.031   0.833     3.541   61.429   70.536
LGA    Q    22_A      Q    22_A     1.065     0    0.084   1.282     5.652   85.952   68.889
LGA    E    23_A      E    23_A     1.041     0    0.040   0.182     1.346   85.952   83.439
LGA    E    24_A      E    24_A     0.821     4    0.011   0.016     0.960   90.476   50.265
LGA    E    25_A      E    25_A     0.631     0    0.057   0.675     2.842   90.476   81.852
LGA    F    26_A      F    26_A     0.610     0    0.060   0.088     0.769   90.476   91.342
LGA    H    27_A      H    27_A     1.239     0    0.035   0.083     1.592   81.429   79.714
LGA    K    28_A      K    28_A     1.401     0    0.039   0.839     3.990   81.429   71.058
LGA    L    29_A      L    29_A     0.961     0    0.028   0.070     1.095   88.214   89.345
LGA    A    30_A      A    30_A     0.936     0    0.029   0.028     0.975   90.476   90.476
LGA    N    31_A      N    31_A     1.069     0    0.015   0.306     2.000   85.952   79.464
LGA    F    32_A      F    32_A     0.810     0    0.018   1.308     6.678   90.476   59.654
LGA    T    33_A      T    33_A     0.712     0    0.037   0.069     0.935   90.476   90.476
LGA    I    34_A      I    34_A     0.787     0    0.037   0.098     1.107   90.476   89.345
LGA    N    35_A      N    35_A     0.957     0    0.017   0.876     4.427   90.476   73.452
LGA    H    36_A      H    36_A     0.725     0    0.044   0.078     0.905   90.476   90.476
LGA    L    37_A      L    37_A     0.475     0    0.017   0.046     0.551   92.857   96.429
LGA    L    38_A      L    38_A     0.603     0    0.068   0.984     2.325   90.476   85.238
LGA    E    39_A      E    39_A     0.619     0    0.000   0.627     3.246   90.476   79.259
LGA    K    40_A      K    40_A     0.707     0    0.049   0.490     1.629   90.476   87.513
LGA    I    41_A      I    41_A     0.647     0    0.118   0.219     0.839   90.476   90.476
LGA    E    42_A      E    42_A     0.578     0    0.027   0.156     0.822   90.476   92.593
LGA    D    43_A      D    43_A     0.724     0    0.006   0.119     1.131   90.476   89.345
LGA    Y    44_A      Y    44_A     0.408     0    0.017   1.343     8.187   97.619   59.524
LGA    G    45_A      G    45_A     0.706     0    0.086   0.086     0.822   90.476   90.476
LGA    D    46_A      D    46_A     0.541     0    0.059   0.146     0.577   90.476   94.048
LGA    N    47_A      N    47_A     0.883     0    0.085   0.509     1.380   85.952   85.952
LGA    V    48_A      V    48_A     1.734     0    0.191   0.442     2.788   75.000   69.524
LGA    Q    49_A      Q    49_A     2.957     0    0.187   0.861     5.962   59.048   40.952
LGA    I    50_A      I    50_A     1.524     0    0.096   0.626     2.513   72.976   74.226
LGA    D    51_A      D    51_A     1.157     0    0.598   1.021     5.418   71.429   58.512
LGA    G    52_A      G    52_A     2.153     0    0.617   0.617     3.532   61.429   61.429
LGA    F    53_A      F    53_A     1.548     0    0.151   0.326     2.854   68.929   67.100
LGA    D    54_A      D    54_A     1.073     0    0.076   0.920     4.573   85.952   69.583
LGA    I    55_A      I    55_A     0.635     0    0.121   1.341     3.320   90.476   77.917
LGA    D    56_A      D    56_A     0.945     0    0.042   0.828     4.021   95.238   74.762
LGA    Y    57_A      Y    57_A     0.361     0    0.029   0.059     2.165   97.619   84.762
LGA    G    58_A      G    58_A     1.287     0    0.113   0.113     1.620   81.548   81.548
LGA    N    59_A      N    59_A     1.571     0    0.022   0.994     3.252   75.000   71.071
LGA    E    60_A      E    60_A     1.774     0    0.034   0.456     2.717   72.857   67.513
LGA    V    61_A      V    61_A     1.235     0    0.039   1.161     2.987   81.429   75.578
LGA    L    62_A      L    62_A     0.683     0    0.040   0.053     0.858   90.476   90.476
LGA    T    63_A      T    63_A     0.621     0    0.036   0.085     1.081   95.238   91.905
LGA    L    64_A      L    64_A     0.326     0    0.035   0.086     0.624  100.000   98.810
LGA    K    65_A      K    65_A     0.473     0    0.019   1.110     5.576  100.000   78.942
LGA    L    66_A      L    66_A     0.567     0    0.021   0.110     0.736   90.476   90.476
LGA    G    67_A      G    67_A     0.602     0    0.056   0.056     0.602   95.238   95.238
LGA    S    68_A      S    68_A     0.519     0    0.082   0.081     1.307   97.619   92.222
LGA    L    69_A      L    69_A     0.231     0    0.104   0.133     0.866   97.619   98.810
LGA    G    70_A      G    70_A     0.572     0    0.049   0.049     0.572   97.619   97.619
LGA    T    71_A      T    71_A     0.366     0    0.034   0.049     0.574  100.000   98.639
LGA    Y    72_A      Y    72_A     0.388     0    0.055   0.188     1.507   95.238   89.127
LGA    V    73_A      V    73_A     0.576     0    0.038   0.043     0.753   97.619   94.558
LGA    L    74_A      L    74_A     0.525     0    0.039   0.077     0.875   95.238   92.857
LGA    N    75_A      N    75_A     0.448     0    0.056   0.899     2.702   97.619   83.512
LGA    K    76_A      K    76_A     0.078     0    0.177   0.727     1.760   95.357   85.873
LGA    Q    77_A      Q    77_A     0.585     0    0.100   1.046     3.631   97.619   81.640
LGA    T    78_A      T    78_A     0.263     0    0.050   0.048     0.728  100.000   98.639
LGA    P    79_A      P    79_A     0.696     0    0.016   0.023     1.189   92.857   89.252
LGA    N    80_A      N    80_A     0.647     0    0.159   0.164     1.866   97.619   86.310
LGA    R    81_A      R    81_A     0.255     0    0.045   1.360     7.346  100.000   67.749
LGA    Q    82_A      Q    82_A     0.240     0    0.063   0.309     0.971  100.000   97.884
LGA    I    83_A      I    83_A     0.148     0    0.022   0.066     0.238  100.000  100.000
LGA    W    84_A      W    84_A     0.329     0    0.047   0.124     0.984  100.000   93.197
LGA    M    85_A      M    85_A     0.260     0    0.029   0.238     1.043  100.000   96.488
LGA    S    86_A      S    86_A     0.478     0    0.062   0.099     0.585  100.000   98.413
LGA    S    87_A      S    87_A     0.643     0    0.070   0.088     0.799   90.476   90.476
LGA    P    88_A      P    88_A     0.849     0    0.038   0.056     1.192   88.214   89.184
LGA    V    89_A      V    89_A     1.166     0    0.046   0.116     1.525   83.690   81.497
LGA    S    90_A      S    90_A     1.177     0    0.033   0.604     2.494   81.429   78.651
LGA    G    91_A      G    91_A     0.915     0    0.097   0.097     0.983   90.476   90.476
LGA    P    92_A      P    92_A     0.853     0    0.022   0.061     1.018   90.476   89.184
LGA    S    93_A      S    93_A     0.744     0    0.019   0.091     0.806   90.476   90.476
LGA    R    94_A      R    94_A     0.574     0    0.041   0.166     1.684   95.238   87.316
LGA    F    95_A      F    95_A     0.284     0    0.072   0.145     0.465  100.000  100.000
LGA    D    96_A      D    96_A     0.611     0    0.061   0.846     2.543   92.857   81.131
LGA    W    97_A      W    97_A     0.758     0    0.071   0.089     1.208   92.857   87.925
LGA    D    98_A      D    98_A     0.622     0    0.064   0.353     1.773   90.476   88.274
LGA    R    99_A      R    99_A     0.817     0    0.026   1.377     5.296   90.476   73.983
LGA    D   100_A      D   100_A     0.662     0    0.058   0.349     1.802   88.214   84.881
LGA    A   101_A      A   101_A     0.859     0    0.022   0.029     1.168   88.214   88.667
LGA    N   102_A      N   102_A     1.050     0    0.029   1.120     3.617   83.690   78.929
LGA    A   103_A      A   103_A     0.743     0    0.066   0.087     0.781   90.476   90.476
LGA    W   104_A      W   104_A     0.687     0    0.044   0.148     0.806   90.476   91.156
LGA    I   105_A      I   105_A     0.508     0    0.078   0.145     1.295   97.619   92.917
LGA    Y   106_A      Y   106_A     0.156     0    0.028   0.071     0.413  100.000  100.000
LGA    R   107_A      R   107_A     0.184     0    0.042   0.304     2.547  100.000   84.675
LGA    R   108_A      R   108_A     0.422     0    0.012   1.185     5.976   97.619   65.411
LGA    T   109_A      T   109_A     0.577     0    0.027   0.097     0.844   92.857   91.837
LGA    E   110_A      E   110_A     0.573     0    0.008   0.315     1.600   92.857   90.635
LGA    A   111_A      A   111_A     0.555     0    0.032   0.042     0.634   90.476   92.381
LGA    K   112_A      K   112_A     1.045     0    0.013   0.099     1.728   83.690   80.529
LGA    L   113_A      L   113_A     1.115     0    0.008   0.067     1.159   81.429   82.560
LGA    H   114_A      H   114_A     0.980     0    0.040   1.051     6.324   83.690   58.524
LGA    K   115_A      K   115_A     1.108     0    0.067   0.961     6.474   81.429   63.333
LGA    L   116_A      L   116_A     1.221     0    0.016   1.376     3.203   81.429   76.429
LGA    L   117_A      L   117_A     1.032     0    0.028   0.090     1.078   85.952   87.083
LGA    E   118_A      E   118_A     0.967     0    0.072   0.167     1.352   85.952   89.524
LGA    E   119_A      E   119_A     0.975     0    0.008   1.133     4.592   85.952   72.540
LGA    E   120_A      E   120_A     0.995     0    0.037   0.269     1.534   90.476   87.513
LGA    L   121_A      L   121_A     0.728     0    0.029   0.068     0.855   90.476   90.476
LGA    E   122_A      E   122_A     0.564     0    0.021   0.822     3.392   90.476   78.307
LGA    N   123_A      N   123_A     0.947     0    0.010   0.090     1.791   90.476   84.881
LGA    L   124_A      L   124_A     0.682     0    0.035   0.121     1.320   92.857   88.274
LGA    C   125_A      C   125_A     0.630     0    0.065   0.687     3.718   90.595   81.190
LGA    G   126_A      G   126_A     0.762     0    0.069   0.069     0.883   90.476   90.476
LGA    E   127_A      E   127_A     0.995     0    0.011   0.817     2.742   88.214   81.746
LGA    P   128_A      P   128_A     1.097     0    0.128   0.352     1.579   83.690   81.497
LGA    I   129_A      I   129_A     1.115     0    0.126   1.009     4.110   88.214   74.583
LGA    Q   130_A      Q   130_A     0.907     0    0.102   0.849     2.597   88.214   79.894
LGA    L   131_A      L   131_A     0.705     0    0.515   0.490     1.137   88.214   88.214
LGA    S   132_A      S   132_A     2.890     0    0.649   0.636     4.512   65.119   54.841

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      123     492    492  100.00     980    980  100.00               123
SUMMARY(RMSD_GDC):     5.882          5.784                  5.699           82.110   76.431

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  123    4.0    114    1.10    87.805    89.957     9.464

LGA_LOCAL      RMSD:   1.105  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.539  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   5.882  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.413798 * X  +   0.100079 * Y  +   0.904851 * Z  +  19.447266
  Y_new =  -0.805711 * X  +   0.502958 * Y  +   0.312831 * Z  + -57.812550
  Z_new =  -0.423794 * X  +  -0.858497 * Y  +   0.288758 * Z  +  11.282331 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.096343  0.437630 -1.246331   [DEG:  -62.8158   25.0743  -71.4095 ]
ZXZ:  1.903659  1.277868 -2.683041   [DEG:  109.0716   73.2164 -153.7269 ]
 
# END of job
