
#######################################################
#                                                     #
#                        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  135 ( 1077),  selected  126 , name one
# Molecule2: number of CA atoms  126 ( 1024),  selected  126 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       7_B - 134_B       2.26     2.26
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88       7_B - 94_B        2.00     2.48
  LCS_AVERAGE:     61.70

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    45      28_B - 72_B        0.99     3.11
  LCS_AVERAGE:     25.94

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_B     E     7_B     38   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E     8_B     E     8_B     38   88  126     29   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A     9_B     A     9_B     38   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    10_B     K    10_B     38   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    11_B     E    11_B     38   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    12_B     A    12_B     38   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    13_B     I    13_B     38   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    14_B     I    14_B     38   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    15_B     A    15_B     38   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    16_B     M    16_B     38   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    17_B     L    17_B     38   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    18_B     K    18_B     38   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    19_B     E    19_B     38   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W    20_B     W    20_B     38   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    21_B     Y    21_B     38   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    22_B     D    22_B     38   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    23_B     A    23_B     38   88  126     33   61   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    24_B     M    24_B     38   88  126     33   61   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    25_B     N    25_B     38   88  126     33   61   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    26_B     E    26_B     38   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    27_B     G    27_B     44   88  126     33   61   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    28_B     D    28_B     45   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    29_B     M    29_B     45   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    30_B     E    30_B     45   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    31_B     K    31_B     45   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    32_B     L    32_B     45   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    33_B     R    33_B     45   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    34_B     S    34_B     45   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    35_B     L    35_B     45   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    36_B     V    36_B     45   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    37_B     D    37_B     45   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    38_B     P    38_B     45   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    39_B     D    39_B     45   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    40_B     A    40_B     45   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    41_B     S    41_B     45   88  126     29   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    42_B     F    42_B     45   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    43_B     V    43_B     45   88  126     29   62   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    44_B     D    44_B     45   88  126     10   45   74   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    45_B     A    45_B     45   88  126      4    9   10   17   78   98  105  116  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    46_B     R    46_B     45   88  126      4    9   44   77   88   98  106  116  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    47_B     T    47_B     45   88  126     13   47   74   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    48_B     N    48_B     45   88  126      4   38   66   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    49_B     Q    49_B     45   88  126     33   62   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    50_B     V    50_B     45   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    51_B     Y    51_B     45   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    52_B     D    52_B     45   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    53_B     K    53_B     45   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    54_B     D    54_B     45   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    55_B     Q    55_B     45   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    56_B     F    56_B     45   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    57_B     L    57_B     45   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    58_B     Q    58_B     45   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    59_B     M    59_B     45   88  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    60_B     I    60_B     45   88  126     29   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    61_B     K    61_B     45   88  126     28   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    62_B     E    62_B     45   88  126     30   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    63_B     A    63_B     45   88  126     29   62   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    64_B     L    64_B     45   88  126     19   52   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    65_B     E    65_B     45   88  126     14   57   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    66_B     Q    66_B     45   88  126     14   57   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    67_B     D    67_B     45   88  126     16   45   76   87   95  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    68_B     L    68_B     45   88  126      5   35   74   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    69_B     K    69_B     45   88  126     16   46   76   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    70_B     V    70_B     45   88  126     13   45   74   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    71_B     E    71_B     45   88  126     12   34   61   84   92  104  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    72_B     V    72_B     45   88  126     12   34   57   82   92  102  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    73_B     K    73_B     33   88  126      5   18   34   61   89   98  108  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    74_B     S    74_B     33   88  126      5   25   45   66   89   98  107  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    75_B     I    75_B     33   88  126      9   34   53   79   90   98  109  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    76_B     D    76_B     33   88  126      5   29   49   78   89   98  106  116  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    77_B     I    77_B     33   88  126      3   29   49   78   89   98  106  116  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    78_B     E    78_B     33   88  126     12   34   55   82   92  104  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    79_B     Q    79_B      5   88  126      3    4    5   17   55   96  106  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    80_B     Q    80_B      5   88  126      3    6   46   81   92  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    81_B     P    81_B      5   88  126      3    4    6   17   50   77  103  115  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    82_B     D    82_B      4   88  126     17   60   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    83_B     G    83_B     15   88  126      5   38   56   78   96  103  109  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    84_B     D    84_B     15   88  126     17   54   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    85_B     V    85_B     15   88  126     24   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    86_B     V    86_B     15   88  126     21   58   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    87_B     I    87_B     15   88  126     24   58   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    88_B     V    88_B     15   88  126     24   58   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    89_B     K    89_B     15   88  126     21   51   78   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    90_B     V    90_B     15   88  126     20   42   78   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    91_B     K    91_B     15   88  126     20   42   72   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    92_B     V    92_B     15   88  126     20   39   67   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    93_B     R    93_B     15   88  126     16   38   54   76   96  103  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    94_B     A    94_B     15   88  126      6   23   54   73   91  103  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    95_B     T    95_B     15   54  126      8   38   54   73   91  103  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    96_B     M    96_B     15   54  126      5   38   54   73   91  103  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    97_B     V    97_B     15   54  126      5   28   54   69   89  103  110  116  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    98_B     R    98_B     14   54  126      5   13   19   57   75   94  106  115  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   101_B     Q   101_B     17   54  126      5   12   24   78   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   102_B     E   102_B     28   54  126     15   39   61   81   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   103_B     H   103_B     28   54  126     20   38   54   79   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   104_B     V   104_B     28   54  126      7   38   54   77   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   105_B     F   105_B     28   54  126      7   38   54   81   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   106_B     E   106_B     28   54  126     16   39   66   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   107_B     V   107_B     28   54  126     20   45   77   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   108_B     V   108_B     28   54  126     20   56   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   109_B     D   109_B     28   54  126     24   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   110_B     T   110_B     28   54  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B     28   54  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_B     E   112_B     28   54  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   113_B     F   113_B     28   54  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     28   54  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   115_B     R   115_B     28   54  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   116_B     K   116_B     28   54  126     10   23   61   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   117_B     G   117_B     28   54  126      7   48   78   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   118_B     D   118_B     28   54  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   119_B     S   119_B     28   54  126     30   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W   120_B     W   120_B     28   54  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   121_B     K   121_B     28   54  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   122_B     I   122_B     28   54  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   123_B     V   123_B     28   54  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   124_B     K   124_B     28   54  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   125_B     L   125_B     28   54  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   126_B     V   126_B     28   54  126     33   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   127_B     S   127_B     28   54  126     27   63   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   128_B     E   128_B     28   54  126     27   62   80   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   129_B     I   129_B     28   54  126      8   34   67   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   130_B     T   130_B     12   54  126      3    5   22   45   86   96  108  115  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   131_B     Q   131_B      9   54  126      2    6   12   31   50   72  101  107  119  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_B     L   132_B      4   54  126      3   19   74   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   133_B     G   133_B      4   54  126      8   39   66   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   134_B     S   134_B      3   54  126     13   42   67   87   96  105  110  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  62.55  (  25.94   61.70  100.00 )

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     33     63     80     87     96    105    110    117    125    126    126    126    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  26.19  50.00  63.49  69.05  76.19  83.33  87.30  92.86  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.61   0.80   0.95   1.20   1.52   1.69   1.95   2.21   2.26   2.26   2.26   2.26   2.26   2.26   2.26   2.26   2.26   2.26   2.26
GDT RMS_ALL_AT   3.10   2.52   2.52   2.55   2.40   2.30   2.29   2.26   2.26   2.26   2.26   2.26   2.26   2.26   2.26   2.26   2.26   2.26   2.26   2.26

# Checking swapping
#   possible swapping detected:  E    19_B      E    19_B
#   possible swapping detected:  Y    21_B      Y    21_B
#   possible swapping detected:  E    30_B      E    30_B
#   possible swapping detected:  D    44_B      D    44_B
#   possible swapping detected:  Y    51_B      Y    51_B
#   possible swapping detected:  D    76_B      D    76_B
#   possible swapping detected:  E    78_B      E    78_B
#   possible swapping detected:  F   105_B      F   105_B
#   possible swapping detected:  D   118_B      D   118_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     0.714     0    0.247   0.356     4.098   83.810   69.630
LGA    E     8_B      E     8_B     1.160     0    0.052   1.070     4.034   83.690   71.164
LGA    A     9_B      A     9_B     0.727     0    0.046   0.055     0.847   90.476   90.476
LGA    K    10_B      K    10_B     0.867     0    0.024   0.776     4.341   88.214   71.058
LGA    E    11_B      E    11_B     1.257     0    0.039   0.732     4.244   81.429   66.667
LGA    A    12_B      A    12_B     0.941     0    0.025   0.027     1.016   90.476   88.667
LGA    I    13_B      I    13_B     0.973     0    0.018   0.280     2.003   90.476   83.869
LGA    I    14_B      I    14_B     0.955     0    0.024   0.208     1.174   85.952   85.952
LGA    A    15_B      A    15_B     1.155     0    0.034   0.044     1.454   81.429   81.429
LGA    M    16_B      M    16_B     1.253     0    0.015   0.804     4.023   81.429   74.821
LGA    L    17_B      L    17_B     1.267     0    0.021   0.074     1.447   81.429   82.560
LGA    K    18_B      K    18_B     1.524     0    0.042   0.653     4.782   75.000   61.323
LGA    E    19_B      E    19_B     1.242     0    0.022   0.689     2.633   81.429   72.328
LGA    W    20_B      W    20_B     1.293     0    0.020   0.236     1.928   79.286   79.660
LGA    Y    21_B      Y    21_B     1.379     0    0.025   0.153     1.701   77.143   80.754
LGA    D    22_B      D    22_B     1.598     0    0.012   0.036     1.737   75.000   73.929
LGA    A    23_B      A    23_B     1.469     0    0.033   0.044     1.547   77.143   78.000
LGA    M    24_B      M    24_B     1.804     0    0.069   0.961     3.059   70.833   65.000
LGA    N    25_B      N    25_B     1.953     0    0.055   0.813     3.061   70.833   67.976
LGA    E    26_B      E    26_B     1.495     0    0.053   0.118     1.636   79.286   80.529
LGA    G    27_B      G    27_B     1.482     0    0.057   0.057     1.551   79.286   79.286
LGA    D    28_B      D    28_B     0.905     0    0.025   0.075     1.015   90.476   89.345
LGA    M    29_B      M    29_B     0.937     0    0.039   0.191     1.317   90.476   88.214
LGA    E    30_B      E    30_B     0.688     0    0.034   1.026     3.934   90.476   75.079
LGA    K    31_B      K    31_B     0.645     0    0.036   1.125     4.076   90.476   82.593
LGA    L    32_B      L    32_B     0.635     0    0.029   0.081     1.035   90.476   89.345
LGA    R    33_B      R    33_B     0.742     0    0.025   1.221     4.944   90.476   80.606
LGA    S    34_B      S    34_B     0.653     0    0.137   0.739     1.740   90.476   87.540
LGA    L    35_B      L    35_B     0.494     0    0.025   0.101     1.197   97.619   94.107
LGA    V    36_B      V    36_B     0.462     0    0.049   0.066     0.594  100.000   97.279
LGA    D    37_B      D    37_B     0.369     0    0.036   0.118     0.440  100.000  100.000
LGA    P    38_B      P    38_B     0.766     0    0.015   0.077     0.947   90.476   90.476
LGA    D    39_B      D    39_B     0.720     0    0.051   0.708     1.825   90.476   87.143
LGA    A    40_B      A    40_B     0.546     0    0.027   0.057     0.876   90.476   92.381
LGA    S    41_B      S    41_B     0.832     0    0.098   0.094     0.958   90.476   90.476
LGA    F    42_B      F    42_B     0.409     0    0.097   0.104     0.585   92.857   97.403
LGA    V    43_B      V    43_B     1.022     0    0.050   0.072     1.472   83.690   82.721
LGA    D    44_B      D    44_B     1.987     0    0.107   0.613     3.135   70.833   66.964
LGA    A    45_B      A    45_B     4.481     0    0.131   0.141     5.806   35.952   33.048
LGA    R    46_B      R    46_B     4.327     0    0.053   0.838     8.041   40.238   28.355
LGA    T    47_B      T    47_B     2.339     0    0.041   0.051     3.009   69.048   65.102
LGA    N    48_B      N    48_B     2.024     0    0.019   1.069     4.162   73.095   62.679
LGA    Q    49_B      Q    49_B     1.076     0    0.074   1.156     5.799   79.286   58.095
LGA    V    50_B      V    50_B     0.608     0    0.010   0.055     0.844   90.476   90.476
LGA    Y    51_B      Y    51_B     0.609     0    0.004   0.158     1.173   90.476   88.214
LGA    D    52_B      D    52_B     0.362     0    0.019   0.079     0.927   97.619   95.238
LGA    K    53_B      K    53_B     0.202     0    0.015   0.061     0.432  100.000  100.000
LGA    D    54_B      D    54_B     0.554     0    0.040   0.091     0.645   92.857   91.667
LGA    Q    55_B      Q    55_B     0.606     0    0.030   0.216     0.895   90.476   90.476
LGA    F    56_B      F    56_B     0.589     0    0.032   0.093     0.952   90.476   90.476
LGA    L    57_B      L    57_B     0.617     0    0.036   0.077     0.625   90.476   92.857
LGA    Q    58_B      Q    58_B     0.706     0    0.026   0.477     2.097   90.476   84.603
LGA    M    59_B      M    59_B     0.683     0    0.027   0.697     3.092   90.476   85.417
LGA    I    60_B      I    60_B     0.969     0    0.019   0.598     2.027   85.952   82.738
LGA    K    61_B      K    61_B     1.164     0    0.015   0.598     1.932   81.429   81.481
LGA    E    62_B      E    62_B     1.275     0    0.014   0.177     1.475   81.429   81.429
LGA    A    63_B      A    63_B     1.342     0    0.038   0.048     1.785   77.143   78.000
LGA    L    64_B      L    64_B     1.934     0    0.034   0.096     2.224   68.810   67.798
LGA    E    65_B      E    65_B     2.188     0    0.026   0.159     2.542   62.857   63.915
LGA    Q    66_B      Q    66_B     2.335     0    0.125   0.979     3.459   60.952   66.931
LGA    D    67_B      D    67_B     2.794     0    0.068   0.094     3.720   55.357   52.738
LGA    L    68_B      L    68_B     2.559     0    0.033   0.824     3.899   62.857   57.381
LGA    K    69_B      K    69_B     2.625     0    0.033   0.370     3.932   57.143   54.021
LGA    V    70_B      V    70_B     2.589     0    0.158   1.104     4.774   59.048   56.803
LGA    E    71_B      E    71_B     3.549     0    0.032   0.451     5.604   45.000   37.619
LGA    V    72_B      V    72_B     3.606     0    0.017   0.036     4.034   43.452   45.306
LGA    K    73_B      K    73_B     4.711     0    0.036   0.510     6.424   32.857   26.614
LGA    S    74_B      S    74_B     4.601     0    0.101   0.553     5.139   34.286   31.587
LGA    I    75_B      I    75_B     4.149     0    0.032   0.069     4.301   37.143   39.464
LGA    D    76_B      D    76_B     4.608     0    0.044   0.908     8.526   31.429   23.333
LGA    I    77_B      I    77_B     4.501     0    0.106   0.182     6.297   35.714   29.226
LGA    E    78_B      E    78_B     3.476     0    0.048   0.614     4.664   43.452   42.910
LGA    Q    79_B      Q    79_B     4.723     0    0.077   0.656    11.917   37.262   18.571
LGA    Q    80_B      Q    80_B     3.265     0    0.289   1.245     5.479   45.000   46.508
LGA    P    81_B      P    81_B     5.070     0    0.711   0.614     8.595   37.738   25.306
LGA    D    82_B      D    82_B     0.920     0    0.133   0.181     3.786   71.548   64.762
LGA    G    83_B      G    83_B     3.692     0    0.312   0.312     4.477   52.619   52.619
LGA    D    84_B      D    84_B     1.180     0    0.126   0.274     3.073   83.690   70.476
LGA    V    85_B      V    85_B     1.067     0    0.023   0.170     1.998   83.690   79.048
LGA    V    86_B      V    86_B     1.388     0    0.026   0.140     1.861   81.429   80.204
LGA    I    87_B      I    87_B     1.744     0    0.068   0.157     2.155   72.857   70.833
LGA    V    88_B      V    88_B     1.743     0    0.022   0.112     1.811   72.857   72.857
LGA    K    89_B      K    89_B     1.983     0    0.045   0.383     2.796   68.810   67.566
LGA    V    90_B      V    90_B     2.044     0    0.041   0.084     2.133   70.833   69.388
LGA    K    91_B      K    91_B     2.106     0    0.044   0.798     2.533   62.857   69.630
LGA    V    92_B      V    92_B     2.302     0    0.095   0.128     2.528   66.786   64.830
LGA    R    93_B      R    93_B     3.473     0    0.049   1.148    11.100   45.119   27.143
LGA    A    94_B      A    94_B     4.033     0    0.065   0.076     4.040   41.786   40.857
LGA    T    95_B      T    95_B     4.096     0    0.093   1.084     5.731   37.143   38.844
LGA    M    96_B      M    96_B     4.130     0    0.080   0.817     4.328   38.690   40.298
LGA    V    97_B      V    97_B     4.268     0    0.103   0.175     4.978   34.286   35.510
LGA    R    98_B      R    98_B     4.539     0    0.116   1.248     9.228   35.714   23.550
LGA    Q   101_B      Q   101_B     2.964     0    0.135   1.285     7.974   50.119   39.153
LGA    E   102_B      E   102_B     3.044     0    0.048   0.580     3.497   53.571   52.381
LGA    H   103_B      H   103_B     3.473     0    0.062   0.222     3.603   46.667   48.667
LGA    V   104_B      V   104_B     3.462     0    0.026   0.106     3.828   48.333   46.190
LGA    F   105_B      F   105_B     2.988     0    0.045   1.243     7.115   55.357   39.784
LGA    E   106_B      E   106_B     2.203     0    0.074   1.058     4.779   66.786   55.026
LGA    V   107_B      V   107_B     1.403     0    0.032   1.157     3.062   77.143   71.020
LGA    V   108_B      V   108_B     1.123     0    0.015   0.102     1.382   83.690   82.721
LGA    D   109_B      D   109_B     1.199     0    0.045   0.124     1.551   79.286   80.357
LGA    T   110_B      T   110_B     1.284     0    0.041   0.057     1.877   83.690   79.048
LGA    Y   111_B      Y   111_B     0.938     0    0.017   0.109     1.224   85.952   85.952
LGA    E   112_B      E   112_B     0.801     0    0.029   0.317     1.866   92.857   87.566
LGA    F   113_B      F   113_B     0.460     0    0.033   0.158     1.403   97.619   90.649
LGA    R   114_B      R   114_B     0.545     0    0.042   0.886     2.538   92.857   85.108
LGA    R   115_B      R   115_B     1.152     0    0.052   1.243     2.879   77.381   73.203
LGA    K   116_B      K   116_B     2.473     0    0.417   0.831     4.088   57.976   59.312
LGA    G   117_B      G   117_B     2.176     0    0.360   0.360     2.921   66.905   66.905
LGA    D   118_B      D   118_B     1.617     0    0.211   0.992     4.867   75.238   63.393
LGA    S   119_B      S   119_B     0.191     0    0.122   0.168     2.097   90.595   84.762
LGA    W   120_B      W   120_B     0.603     0    0.055   0.148     0.826   97.619   92.517
LGA    K   121_B      K   121_B     0.328     0    0.028   0.097     0.533  100.000   98.942
LGA    I   122_B      I   122_B     0.262     0    0.028   0.083     0.458  100.000  100.000
LGA    V   123_B      V   123_B     0.337     0    0.051   0.082     0.534   97.619   98.639
LGA    K   124_B      K   124_B     0.500     0    0.048   0.151     1.169  100.000   92.698
LGA    L   125_B      L   125_B     0.491     0    0.104   0.113     0.885   92.857   95.238
LGA    V   126_B      V   126_B     0.738     0    0.032   0.054     1.281   90.476   86.599
LGA    S   127_B      S   127_B     0.153     0    0.088   0.630     2.138  100.000   94.127
LGA    E   128_B      E   128_B     0.255     0    0.116   0.744     1.964   95.357   90.688
LGA    I   129_B      I   129_B     1.931     0    0.080   0.676     4.255   67.143   57.917
LGA    T   130_B      T   130_B     4.469     0    0.638   0.999     6.499   32.619   30.884
LGA    Q   131_B      Q   131_B     5.917     0    0.083   0.851    13.759   27.738   12.804
LGA    L   132_B      L   132_B     1.768     0    0.620   1.404     6.092   66.905   49.762
LGA    G   133_B      G   133_B     2.584     0    0.163   0.163     3.291   57.262   57.262
LGA    S   134_B      S   134_B     2.530     0    0.122   0.627     4.701   44.286   53.810

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00    1024   1024  100.00               126
SUMMARY(RMSD_GDC):     2.258          2.265                  2.821           73.132   69.322

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    117    1.95    77.976    77.856     5.700

LGA_LOCAL      RMSD:   1.953  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.264  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.258  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.708128 * X  +  -0.069179 * Y  +  -0.702687 * Z  + -15.913672
  Y_new =  -0.241709 * X  +  -0.958812 * Y  +  -0.149187 * Z  +  19.841553
  Z_new =  -0.663424 * X  +   0.275490 * Y  +  -0.695683 * Z  +  24.244511 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.328935  0.725385  2.764540   [DEG:  -18.8466   41.5615  158.3965 ]
ZXZ: -1.361593  2.340166 -1.177209   [DEG:  -78.0135  134.0816  -67.4491 ]
 
# END of job
