
#######################################################
#                                                     #
#                        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       4.92     6.12
  LCS_AVERAGE:     97.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   115      18_A - 132_A       1.53     6.79
  LCS_AVERAGE:     87.95

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   113      20_A - 132_A       0.97     6.95
  LCS_AVERAGE:     84.78

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      3    4   17      3    3    4    4    4    8    9    9   12   13   15   18   19   25   28   29   30   34   38   43 
LCS_GDT     S    11_A     S    11_A      3    4   17      3    3    4    4    4    8   10   11   14   16   19   22   26   28   31   34   38   42   47   53 
LCS_GDT     S    12_A     S    12_A      4    8  121      3    3    5    5    8    9   11   11   14   16   21   26   29   33   38   44   50   57   61   70 
LCS_GDT     G    13_A     G    13_A      4    8  121      3    3    5    5    8    9   11   11   14   19   22   26   31   33   39   45   50   57   62   70 
LCS_GDT     L    14_A     L    14_A      4    8  121      3    3    5    6    8    9   11   11   14   17   21   24   29   33   37   42   46   57   62   70 
LCS_GDT     V    15_A     V    15_A      4    8  121      3    4    5    6    8    9   11   11   14   19   22   28   34   40   46   51   56   67   76   85 
LCS_GDT     P    16_A     P    16_A      4    8  121      3    4    4    6    8    9   12   13   32   35   37   41   49   61   79   93  102  111  113  117 
LCS_GDT     R    17_A     R    17_A      4   33  121      3    4    5    6   17   28   30   33   42   56   67   80   91  105  110  116  116  116  116  117 
LCS_GDT     G    18_A     G    18_A      4  115  121      3    4    4    6   10   30   51   69   87  102  113  115  115  115  115  116  116  116  116  117 
LCS_GDT     S    19_A     S    19_A     23  115  121      3   13   24   34   71   93  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     H    20_A     H    20_A    113  115  121      3   16   54   94  111  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     M    21_A     M    21_A    113  115  121     10   69  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     Q    22_A     Q    22_A    113  115  121     11   77  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     E    23_A     E    23_A    113  115  121     31   90  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     E    24_A     E    24_A    113  115  121     31   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     E    25_A     E    25_A    113  115  121     24   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     F    26_A     F    26_A    113  115  121     33   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     H    27_A     H    27_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     K    28_A     K    28_A    113  115  121     35   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     L    29_A     L    29_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     A    30_A     A    30_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     N    31_A     N    31_A    113  115  121     35   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     F    32_A     F    32_A    113  115  121     35   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     T    33_A     T    33_A    113  115  121     35   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     I    34_A     I    34_A    113  115  121     27   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     N    35_A     N    35_A    113  115  121     23   90  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     H    36_A     H    36_A    113  115  121     27   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     L    37_A     L    37_A    113  115  121     27   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     L    38_A     L    38_A    113  115  121     27   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     E    39_A     E    39_A    113  115  121     31   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     K    40_A     K    40_A    113  115  121     27   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     I    41_A     I    41_A    113  115  121     28   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     E    42_A     E    42_A    113  115  121     28   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     D    43_A     D    43_A    113  115  121     20   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     Y    44_A     Y    44_A    113  115  121     27   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     G    45_A     G    45_A    113  115  121     20   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     D    46_A     D    46_A    113  115  121     31   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     N    47_A     N    47_A    113  115  121     21   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     V    48_A     V    48_A    113  115  121      3   18  106  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     Q    49_A     Q    49_A    113  115  121      7   24   77  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     I    50_A     I    50_A    113  115  121     16   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     D    51_A     D    51_A    113  115  121      4   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     G    52_A     G    52_A    113  115  121      4   47  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     F    53_A     F    53_A    113  115  121      4   45  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     D    54_A     D    54_A    113  115  121     19   72  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     I    55_A     I    55_A    113  115  121     28   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     D    56_A     D    56_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     Y    57_A     Y    57_A    113  115  121     31   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     G    58_A     G    58_A    113  115  121      8   62  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     N    59_A     N    59_A    113  115  121     21   82  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     E    60_A     E    60_A    113  115  121     21   82  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     V    61_A     V    61_A    113  115  121     23   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     L    62_A     L    62_A    113  115  121     31   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     T    63_A     T    63_A    113  115  121     31   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     L    64_A     L    64_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     K    65_A     K    65_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     L    66_A     L    66_A    113  115  121     35   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     G    67_A     G    67_A    113  115  121     34   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     S    68_A     S    68_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     L    69_A     L    69_A    113  115  121     35   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     G    70_A     G    70_A    113  115  121     34   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     T    71_A     T    71_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     Y    72_A     Y    72_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     V    73_A     V    73_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     L    74_A     L    74_A    113  115  121     31   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     N    75_A     N    75_A    113  115  121     31   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     K    76_A     K    76_A    113  115  121     31   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     Q    77_A     Q    77_A    113  115  121     19   89  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     T    78_A     T    78_A    113  115  121     31   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     P    79_A     P    79_A    113  115  121      5   85  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     N    80_A     N    80_A    113  115  121     31   90  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     R    81_A     R    81_A    113  115  121     31   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     Q    82_A     Q    82_A    113  115  121     31   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     I    83_A     I    83_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     W    84_A     W    84_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     M    85_A     M    85_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     S    86_A     S    86_A    113  115  121     31   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     S    87_A     S    87_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     P    88_A     P    88_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     V    89_A     V    89_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     S    90_A     S    90_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     G    91_A     G    91_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     P    92_A     P    92_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     S    93_A     S    93_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     R    94_A     R    94_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     F    95_A     F    95_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     D    96_A     D    96_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     W    97_A     W    97_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     D    98_A     D    98_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     R    99_A     R    99_A    113  115  121     27   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     D   100_A     D   100_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     A   101_A     A   101_A    113  115  121     35   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     N   102_A     N   102_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     A   103_A     A   103_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     W   104_A     W   104_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     I   105_A     I   105_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     Y   106_A     Y   106_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     R   107_A     R   107_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     R   108_A     R   108_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     T   109_A     T   109_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     E   110_A     E   110_A    113  115  121     30   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     A   111_A     A   111_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     K   112_A     K   112_A    113  115  121     27   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     L   113_A     L   113_A    113  115  121     27   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     H   114_A     H   114_A    113  115  121     27   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     K   115_A     K   115_A    113  115  121     27   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     L   116_A     L   116_A    113  115  121     27   90  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     L   117_A     L   117_A    113  115  121     34   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     E   118_A     E   118_A    113  115  121     34   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     E   119_A     E   119_A    113  115  121     27   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     E   120_A     E   120_A    113  115  121     27   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     L   121_A     L   121_A    113  115  121     35   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     E   122_A     E   122_A    113  115  121     30   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     N   123_A     N   123_A    113  115  121     23   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     L   124_A     L   124_A    113  115  121     35   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     C   125_A     C   125_A    113  115  121     36   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     G   126_A     G   126_A    113  115  121     31   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     E   127_A     E   127_A    113  115  121      9   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     P   128_A     P   128_A    113  115  121      8   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     I   129_A     I   129_A    113  115  121     19   90  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     Q   130_A     Q   130_A    113  115  121     12   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     L   131_A     L   131_A    113  115  121     33   92  109  111  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_GDT     S   132_A     S   132_A    113  115  121      3   19   80   98  112  113  114  114  114  114  114  115  115  115  115  116  116  116  116  117 
LCS_AVERAGE  LCS_A:  89.91  (  84.78   87.95   97.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     36     92    109    111    112    113    114    114    114    114    114    115    115    115    115    116    116    116    116    117 
GDT PERCENT_AT  29.27  74.80  88.62  90.24  91.06  91.87  92.68  92.68  92.68  92.68  92.68  93.50  93.50  93.50  93.50  94.31  94.31  94.31  94.31  95.12
GDT RMS_LOCAL    0.36   0.66   0.80   0.84   0.88   0.97   1.13   1.13   1.13   1.13   1.13   1.53   1.53   1.53   1.53   2.05   2.05   2.05   2.05   2.64
GDT RMS_ALL_AT   7.07   7.04   6.99   6.99   6.98   6.95   6.89   6.89   6.89   6.89   6.89   6.79   6.79   6.79   6.79   6.67   6.67   6.67   6.67   6.53

# 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    34.272     0    0.530   1.227    41.674    0.000    0.000
LGA    S    11_A      S    11_A    32.209     0    0.384   0.599    32.950    0.000    0.000
LGA    S    12_A      S    12_A    29.248     0    0.646   0.910    29.910    0.000    0.000
LGA    G    13_A      G    13_A    26.189     0    0.453   0.453    27.302    0.000    0.000
LGA    L    14_A      L    14_A    25.072     3    0.529   0.491    26.578    0.000    0.000
LGA    V    15_A      V    15_A    23.655     0    0.670   0.702    26.112    0.000    0.000
LGA    P    16_A      P    16_A    19.585     0    0.031   0.335    21.008    0.000    0.000
LGA    R    17_A      R    17_A    15.433     6    0.360   0.417    17.143    0.000    0.000
LGA    G    18_A      G    18_A    11.351     0    0.619   0.619    12.051    1.071    1.071
LGA    S    19_A      S    19_A     6.240     0    0.199   0.702     8.661   17.381   13.730
LGA    H    20_A      H    20_A     3.992     5    0.180   0.221     4.491   45.119   21.762
LGA    M    21_A      M    21_A     1.498     0    0.033   0.742     2.149   75.119   79.405
LGA    Q    22_A      Q    22_A     1.214     0    0.062   1.310     5.902   85.952   67.937
LGA    E    23_A      E    23_A     0.757     0    0.042   0.198     1.194   90.476   86.455
LGA    E    24_A      E    24_A     0.488     4    0.010   0.015     0.750   95.238   53.439
LGA    E    25_A      E    25_A     0.532     0    0.055   0.704     2.892   92.857   83.915
LGA    F    26_A      F    26_A     0.325     0    0.065   0.085     0.528   97.619   99.134
LGA    H    27_A      H    27_A     1.027     0    0.032   0.082     1.446   83.690   83.238
LGA    K    28_A      K    28_A     1.295     0    0.029   0.843     4.049   81.429   70.370
LGA    L    29_A      L    29_A     0.912     0    0.021   0.071     1.004   88.214   89.345
LGA    A    30_A      A    30_A     0.819     0    0.015   0.017     0.927   90.476   90.476
LGA    N    31_A      N    31_A     1.081     0    0.044   0.239     1.264   83.690   83.690
LGA    F    32_A      F    32_A     1.120     0    0.012   1.317     6.630   81.429   54.892
LGA    T    33_A      T    33_A     0.959     0    0.024   0.083     1.175   88.214   86.599
LGA    I    34_A      I    34_A     0.980     0    0.031   0.660     2.705   88.214   82.917
LGA    N    35_A      N    35_A     1.227     0    0.014   0.868     4.516   83.690   67.619
LGA    H    36_A      H    36_A     0.933     0    0.041   0.077     1.122   88.214   86.857
LGA    L    37_A      L    37_A     0.599     0    0.025   0.045     0.704   92.857   92.857
LGA    L    38_A      L    38_A     0.568     0    0.047   0.838     2.545   90.476   84.048
LGA    E    39_A      E    39_A     0.517     0    0.008   0.624     3.229   92.857   81.376
LGA    K    40_A      K    40_A     0.791     0    0.048   0.495     1.452   90.476   88.466
LGA    I    41_A      I    41_A     0.611     0    0.114   0.185     0.981   90.476   92.857
LGA    E    42_A      E    42_A     0.609     0    0.027   0.166     1.196   90.476   89.471
LGA    D    43_A      D    43_A     0.922     0    0.012   0.121     1.364   88.214   84.821
LGA    Y    44_A      Y    44_A     0.750     0    0.022   1.341     8.428   90.476   55.119
LGA    G    45_A      G    45_A     0.861     0    0.086   0.086     0.906   90.476   90.476
LGA    D    46_A      D    46_A     0.530     0    0.049   0.137     0.800   95.238   92.857
LGA    N    47_A      N    47_A     0.742     0    0.092   0.507     1.472   88.214   87.083
LGA    V    48_A      V    48_A     1.719     0    0.187   0.435     2.881   75.000   69.524
LGA    Q    49_A      Q    49_A     2.511     0    0.199   0.863     5.375   62.857   45.556
LGA    I    50_A      I    50_A     1.084     0    0.060   0.639     2.484   79.286   78.333
LGA    D    51_A      D    51_A     1.040     0    0.071   0.185     1.459   83.690   85.952
LGA    G    52_A      G    52_A     1.539     0    0.044   0.044     1.635   75.000   75.000
LGA    F    53_A      F    53_A     1.696     0    0.227   0.253     3.356   65.119   61.558
LGA    D    54_A      D    54_A     1.336     0    0.082   0.866     4.302   85.952   68.393
LGA    I    55_A      I    55_A     0.645     0    0.121   1.383     3.119   88.214   77.917
LGA    D    56_A      D    56_A     0.366     0    0.053   0.855     3.660   97.619   80.595
LGA    Y    57_A      Y    57_A     0.536     0    0.040   0.143     1.356   90.595   87.500
LGA    G    58_A      G    58_A     1.543     0    0.122   0.122     1.543   79.286   79.286
LGA    N    59_A      N    59_A     1.090     0    0.011   0.989     2.639   83.690   77.440
LGA    E    60_A      E    60_A     1.055     0    0.022   0.211     1.129   85.952   88.519
LGA    V    61_A      V    61_A     0.760     0    0.065   1.168     2.607   90.476   80.952
LGA    L    62_A      L    62_A     0.613     0    0.026   0.062     0.813   90.476   90.476
LGA    T    63_A      T    63_A     0.608     0    0.037   0.086     0.929   95.238   93.197
LGA    L    64_A      L    64_A     0.352     0    0.033   0.090     0.492  100.000  100.000
LGA    K    65_A      K    65_A     0.429     0    0.096   1.163     5.442   97.619   80.847
LGA    L    66_A      L    66_A     0.442     0    0.017   0.110     0.727   95.238   94.048
LGA    G    67_A      G    67_A     0.593     0    0.051   0.051     0.593   95.238   95.238
LGA    S    68_A      S    68_A     0.398     0    0.063   0.622     2.829  100.000   91.270
LGA    L    69_A      L    69_A     0.277     0    0.097   0.112     0.743   97.619   98.810
LGA    G    70_A      G    70_A     0.676     0    0.029   0.029     0.676   95.238   95.238
LGA    T    71_A      T    71_A     0.386     0    0.032   0.047     0.662   97.619   94.558
LGA    Y    72_A      Y    72_A     0.312     0    0.057   0.185     1.076   97.619   93.690
LGA    V    73_A      V    73_A     0.433     0    0.025   0.027     0.688  100.000   95.918
LGA    L    74_A      L    74_A     0.460     0    0.019   0.083     0.522  100.000   98.810
LGA    N    75_A      N    75_A     0.549     0    0.066   0.436     1.029   92.857   92.917
LGA    K    76_A      K    76_A     0.360     0    0.190   0.724     1.685   95.238   87.725
LGA    Q    77_A      Q    77_A     0.870     0    0.103   1.019     3.998   90.476   74.815
LGA    T    78_A      T    78_A     0.646     0    0.030   0.046     0.919   90.476   90.476
LGA    P    79_A      P    79_A     1.215     0    0.016   0.022     1.757   83.690   80.272
LGA    N    80_A      N    80_A     0.735     0    0.165   0.158     1.614   90.476   84.881
LGA    R    81_A      R    81_A     0.425     0    0.030   1.011     2.806   97.619   88.485
LGA    Q    82_A      Q    82_A     0.441     0    0.047   0.631     1.682  100.000   89.735
LGA    I    83_A      I    83_A     0.262     0    0.043   0.080     0.401  100.000  100.000
LGA    W    84_A      W    84_A     0.254     0    0.023   1.132     8.438  100.000   51.122
LGA    M    85_A      M    85_A     0.295     0    0.025   0.247     1.072  100.000   96.488
LGA    S    86_A      S    86_A     0.706     0    0.056   0.105     0.803   92.857   92.063
LGA    S    87_A      S    87_A     0.759     0    0.077   0.103     0.936   90.476   90.476
LGA    P    88_A      P    88_A     0.826     0    0.029   0.311     1.060   90.476   89.184
LGA    V    89_A      V    89_A     0.909     0    0.047   0.126     1.119   90.476   89.184
LGA    S    90_A      S    90_A     0.967     0    0.044   0.604     2.373   88.214   84.683
LGA    G    91_A      G    91_A     0.752     0    0.072   0.072     0.811   90.476   90.476
LGA    P    92_A      P    92_A     0.711     0    0.032   0.058     1.008   90.476   89.184
LGA    S    93_A      S    93_A     0.430     0    0.042   0.090     0.534   97.619   98.413
LGA    R    94_A      R    94_A     0.411     0    0.028   0.600     3.549  100.000   82.771
LGA    F    95_A      F    95_A     0.279     0    0.093   0.166     0.625  100.000   97.403
LGA    D    96_A      D    96_A     0.614     0    0.014   0.298     1.187   92.857   91.726
LGA    W    97_A      W    97_A     0.811     0    0.008   0.074     0.958   90.476   90.476
LGA    D    98_A      D    98_A     0.828     0    0.044   0.272     1.071   90.476   89.345
LGA    R    99_A      R    99_A     1.037     0    0.010   0.197     1.300   81.429   83.896
LGA    D   100_A      D   100_A     0.933     0    0.046   0.298     1.912   88.214   86.012
LGA    A   101_A      A   101_A     0.952     0    0.017   0.022     1.112   90.476   88.667
LGA    N   102_A      N   102_A     0.624     0    0.034   1.353     4.294   90.476   73.750
LGA    A   103_A      A   103_A     0.788     0    0.066   0.092     0.840   90.476   90.476
LGA    W   104_A      W   104_A     0.847     0    0.042   0.120     0.910   90.476   90.476
LGA    I   105_A      I   105_A     0.660     0    0.086   0.152     1.029   95.238   91.726
LGA    Y   106_A      Y   106_A     0.373     0    0.016   0.083     0.440  100.000  100.000
LGA    R   107_A      R   107_A     0.541     0    0.043   0.467     1.133   97.619   92.251
LGA    R   108_A      R   108_A     0.215     0    0.013   1.183     5.850  100.000   68.095
LGA    T   109_A      T   109_A     0.474     0    0.024   0.084     0.764   95.238   93.197
LGA    E   110_A      E   110_A     0.736     0    0.010   0.319     1.832   90.595   86.561
LGA    A   111_A      A   111_A     0.678     0    0.037   0.049     0.764   90.476   90.476
LGA    K   112_A      K   112_A     1.153     0    0.016   0.083     1.602   83.690   81.481
LGA    L   113_A      L   113_A     1.261     0    0.013   0.134     1.390   81.429   81.429
LGA    H   114_A      H   114_A     1.140     0    0.034   1.060     6.596   81.429   55.619
LGA    K   115_A      K   115_A     1.159     0    0.063   0.981     6.401   81.429   63.333
LGA    L   116_A      L   116_A     1.187     0    0.021   1.376     3.328   81.429   76.429
LGA    L   117_A      L   117_A     0.926     0    0.030   0.081     1.020   88.214   89.345
LGA    E   118_A      E   118_A     0.848     0    0.054   0.159     1.115   88.214   88.466
LGA    E   119_A      E   119_A     0.855     0    0.010   1.145     4.661   90.476   74.550
LGA    E   120_A      E   120_A     0.856     0    0.032   0.248     1.280   90.476   89.471
LGA    L   121_A      L   121_A     0.640     0    0.030   0.075     0.734   92.857   91.667
LGA    E   122_A      E   122_A     0.550     0    0.025   0.830     3.413   90.476   78.307
LGA    N   123_A      N   123_A     0.849     0    0.010   0.086     1.619   90.476   84.881
LGA    L   124_A      L   124_A     0.688     0    0.040   0.134     1.032   90.476   88.214
LGA    C   125_A      C   125_A     0.626     0    0.070   0.686     3.786   92.857   82.698
LGA    G   126_A      G   126_A     0.553     0    0.073   0.073     0.699   92.857   92.857
LGA    E   127_A      E   127_A     0.902     0    0.019   0.809     2.821   90.476   84.762
LGA    P   128_A      P   128_A     1.017     0    0.110   0.146     1.040   85.952   87.891
LGA    I   129_A      I   129_A     1.110     0    0.134   1.009     3.924   85.952   76.131
LGA    Q   130_A      Q   130_A     0.994     0    0.105   0.843     2.901   88.214   78.095
LGA    L   131_A      L   131_A     0.691     0    0.524   0.500     1.219   88.214   89.345
LGA    S   132_A      S   132_A     2.838     0    0.651   0.639     4.817   65.119   53.889

# 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):     6.048          5.940                  5.969           82.359   76.891

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  123    4.0    114    1.13    88.008    89.621     9.242

LGA_LOCAL      RMSD:   1.134  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.890  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   6.048  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.439803 * X  +  -0.714935 * Y  +  -0.543546 * Z  +  17.970802
  Y_new =   0.552676 * X  +  -0.692503 * Y  +   0.463670 * Z  + -57.064171
  Z_new =  -0.707900 * X  +  -0.096481 * Y  +   0.699692 * Z  +  17.469883 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.242953  0.786521 -0.137027   [DEG:  128.5117   45.0643   -7.8511 ]
ZXZ: -2.277056  0.795830 -1.706254   [DEG: -130.4657   45.5977  -97.7611 ]
 
# END of job
