
#######################################################
#                                                     #
#                        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       2.28     2.28
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       7_B - 93_B        1.95     2.53
  LCS_AVERAGE:     60.70

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38       7_B - 44_B        0.76     2.69
  LCS_AVERAGE:     23.19

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   87  126     31   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E     8_B     E     8_B     38   87  126     25   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A     9_B     A     9_B     38   87  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    10_B     K    10_B     38   87  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    11_B     E    11_B     38   87  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    12_B     A    12_B     38   87  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    13_B     I    13_B     38   87  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    14_B     I    14_B     38   87  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    15_B     A    15_B     38   87  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    16_B     M    16_B     38   87  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    17_B     L    17_B     38   87  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    18_B     K    18_B     38   87  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    19_B     E    19_B     38   87  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W    20_B     W    20_B     38   87  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    21_B     Y    21_B     38   87  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    22_B     D    22_B     38   87  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    23_B     A    23_B     38   87  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    24_B     M    24_B     38   87  126     35   61   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    25_B     N    25_B     38   87  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    26_B     E    26_B     38   87  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    27_B     G    27_B     38   87  126     34   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    28_B     D    28_B     38   87  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    29_B     M    29_B     38   87  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    30_B     E    30_B     38   87  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    31_B     K    31_B     38   87  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    32_B     L    32_B     38   87  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    33_B     R    33_B     38   87  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    34_B     S    34_B     38   87  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    35_B     L    35_B     38   87  126     31   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    36_B     V    36_B     38   87  126     31   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    37_B     D    37_B     38   87  126     31   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    38_B     P    38_B     38   87  126     31   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    39_B     D    39_B     38   87  126     31   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    40_B     A    40_B     38   87  126     31   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    41_B     S    41_B     38   87  126     29   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    42_B     F    42_B     38   87  126     31   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    43_B     V    43_B     38   87  126     28   59   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    44_B     D    44_B     38   87  126     10   43   74   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    45_B     A    45_B     35   87  126      3    4   11   16   75   96  103  114  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    46_B     R    46_B     35   87  126      4    9   20   68   85   96  103  114  124  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    47_B     T    47_B     35   87  126     12   43   74   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    48_B     N    48_B     35   87  126      4   35   59   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    49_B     Q    49_B     35   87  126     29   61   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    50_B     V    50_B     35   87  126     29   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    51_B     Y    51_B     35   87  126     29   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    52_B     D    52_B     35   87  126     31   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    53_B     K    53_B     35   87  126     31   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    54_B     D    54_B     35   87  126     31   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    55_B     Q    55_B     35   87  126     31   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    56_B     F    56_B     35   87  126     31   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    57_B     L    57_B     35   87  126     31   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    58_B     Q    58_B     35   87  126     31   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    59_B     M    59_B     35   87  126     31   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    60_B     I    60_B     35   87  126     30   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    61_B     K    61_B     35   87  126     28   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    62_B     E    62_B     35   87  126     29   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    63_B     A    63_B     35   87  126     29   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    64_B     L    64_B     35   87  126     20   55   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    65_B     E    65_B     32   87  126     14   55   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    66_B     Q    66_B     32   87  126     14   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    67_B     D    67_B     32   87  126     16   45   76   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    68_B     L    68_B     32   87  126      4   36   74   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    69_B     K    69_B     32   87  126     16   45   76   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    70_B     V    70_B     32   87  126     16   45   76   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    71_B     E    71_B     32   87  126      9   33   62   82   92  105  111  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    72_B     V    72_B     32   87  126     12   32   60   82   92  104  111  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    73_B     K    73_B     32   87  126      5   14   32   63   87   97  109  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    74_B     S    74_B     32   87  126      5   25   44   69   88   97  109  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    75_B     I    75_B     32   87  126      8   30   55   79   90   98  109  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    76_B     D    76_B     32   87  126      5   28   50   78   88   97  108  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    77_B     I    77_B     32   87  126      3   25   50   78   88   97  108  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    78_B     E    78_B     32   87  126     11   32   59   82   92  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    79_B     Q    79_B      5   87  126      3    4    6   17   52   95  108  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    80_B     Q    80_B      5   87  126      3   17   49   73   92  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    81_B     P    81_B      5   87  126      3    4    6   16   48   77  102  114  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    82_B     D    82_B      4   87  126     15   45   77   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    83_B     G    83_B     15   87  126     10   37   68   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    84_B     D    84_B     15   87  126     10   46   73   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    85_B     V    85_B     15   87  126     21   61   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    86_B     V    86_B     15   87  126     22   61   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    87_B     I    87_B     15   87  126     22   52   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    88_B     V    88_B     15   87  126     22   52   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    89_B     K    89_B     15   87  126     17   51   77   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    90_B     V    90_B     15   87  126     17   44   73   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    91_B     K    91_B     15   87  126     17   40   70   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    92_B     V    92_B     15   87  126     17   38   68   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    93_B     R    93_B     15   87  126     12   36   54   74   93  103  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    94_B     A    94_B     15   53  126      5   13   54   69   92  102  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    95_B     T    95_B     15   53  126      5   36   54   72   92  102  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    96_B     M    96_B     15   53  126      5   35   54   71   92  102  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    97_B     V    97_B     15   53  126      4   24   54   68   89  102  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    98_B     R    98_B     12   53  126      4   10   15   53   76   94  107  115  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   101_B     Q   101_B     12   53  126      4   10   15   77   95  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   102_B     E   102_B     28   53  126      8   38   62   79   95  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   103_B     H   103_B     28   53  126     17   36   54   75   92  103  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   104_B     V   104_B     28   53  126      5   36   54   74   92  103  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   105_B     F   105_B     28   53  126      5   36   54   75   93  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   106_B     E   106_B     28   53  126     14   37   67   86   97  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   107_B     V   107_B     28   53  126     17   42   72   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   108_B     V   108_B     28   53  126     18   54   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   109_B     D   109_B     28   53  126     22   61   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   110_B     T   110_B     28   53  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B     28   53  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_B     E   112_B     28   53  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   113_B     F   113_B     28   53  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     28   53  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   115_B     R   115_B     28   53  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   116_B     K   116_B     28   53  126      3   13   58   83   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   117_B     G   117_B     28   53  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   118_B     D   118_B     28   53  126     32   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   119_B     S   119_B     28   53  126     31   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W   120_B     W   120_B     28   53  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   121_B     K   121_B     28   53  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   122_B     I   122_B     28   53  126     35   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   123_B     V   123_B     28   53  126     31   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   124_B     K   124_B     28   53  126     31   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   125_B     L   125_B     28   53  126     31   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   126_B     V   126_B     28   53  126     31   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   127_B     S   127_B     28   53  126     29   63   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   128_B     E   128_B     28   53  126     28   61   79   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   129_B     I   129_B     28   53  126      8   36   67   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   130_B     T   130_B     12   53  126      3    5   23   59   92   99  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   131_B     Q   131_B     11   53  126      3    6   23   36   62   98  109  116  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_B     L   132_B      5   53  126      3    4    5   82   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   133_B     G   133_B      5   53  126      3   28   54   78   94  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   134_B     S   134_B      5   53  126      3   42   70   86   98  105  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  61.30  (  23.19   60.70  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     35     63     79     86     98    105    112    118    125    126    126    126    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  27.78  50.00  62.70  68.25  77.78  83.33  88.89  93.65  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    0.31   0.60   0.80   0.95   1.25   1.52   1.78   1.99   2.24   2.28   2.28   2.28   2.28   2.28   2.28   2.28   2.28   2.28   2.28   2.28
GDT RMS_ALL_AT   3.13   2.56   2.56   2.57   2.43   2.34   2.32   2.28   2.28   2.28   2.28   2.28   2.28   2.28   2.28   2.28   2.28   2.28   2.28   2.28

# 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    37_B      D    37_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     1.084     0    0.230   0.826     3.817   79.286   69.101
LGA    E     8_B      E     8_B     1.602     0    0.064   0.860     2.678   77.143   72.116
LGA    A     9_B      A     9_B     0.808     0    0.036   0.042     1.074   88.214   88.667
LGA    K    10_B      K    10_B     0.935     0    0.049   0.559     1.575   85.952   84.497
LGA    E    11_B      E    11_B     1.549     0    0.038   0.741     4.624   77.143   64.127
LGA    A    12_B      A    12_B     1.137     0    0.022   0.025     1.248   81.429   81.429
LGA    I    13_B      I    13_B     1.073     0    0.020   0.271     1.821   81.429   80.357
LGA    I    14_B      I    14_B     1.104     0    0.025   0.207     1.376   81.429   82.560
LGA    A    15_B      A    15_B     1.294     0    0.034   0.043     1.548   79.286   79.714
LGA    M    16_B      M    16_B     1.303     0    0.016   0.802     4.034   81.429   74.821
LGA    L    17_B      L    17_B     1.326     0    0.020   0.074     1.509   79.286   81.488
LGA    K    18_B      K    18_B     1.623     0    0.042   0.654     4.956   75.000   60.423
LGA    E    19_B      E    19_B     1.293     0    0.022   0.692     2.702   81.429   72.328
LGA    W    20_B      W    20_B     1.312     0    0.020   0.239     1.892   79.286   80.272
LGA    Y    21_B      Y    21_B     1.451     0    0.024   0.160     1.793   77.143   80.000
LGA    D    22_B      D    22_B     1.688     0    0.013   0.036     1.809   72.857   72.857
LGA    A    23_B      A    23_B     1.496     0    0.033   0.044     1.584   75.000   76.286
LGA    M    24_B      M    24_B     1.866     0    0.069   0.960     2.996   68.810   64.881
LGA    N    25_B      N    25_B     2.046     0    0.057   0.811     3.244   68.810   64.940
LGA    E    26_B      E    26_B     1.569     0    0.056   0.115     1.716   72.857   77.672
LGA    G    27_B      G    27_B     1.554     0    0.056   0.056     1.597   75.000   75.000
LGA    D    28_B      D    28_B     0.914     0    0.025   0.075     0.969   90.476   90.476
LGA    M    29_B      M    29_B     0.961     0    0.040   0.198     1.438   90.476   87.083
LGA    E    30_B      E    30_B     0.682     0    0.034   1.025     3.934   90.476   75.079
LGA    K    31_B      K    31_B     0.599     0    0.036   1.125     4.131   90.476   82.593
LGA    L    32_B      L    32_B     0.623     0    0.029   0.081     1.044   90.476   89.345
LGA    R    33_B      R    33_B     0.731     0    0.025   1.221     4.960   90.476   81.472
LGA    S    34_B      S    34_B     0.640     0    0.134   0.739     1.753   90.476   87.540
LGA    L    35_B      L    35_B     0.471     0    0.025   0.103     1.210   97.619   94.107
LGA    V    36_B      V    36_B     0.428     0    0.052   0.068     0.534  100.000   98.639
LGA    D    37_B      D    37_B     0.330     0    0.037   0.100     0.411  100.000  100.000
LGA    P    38_B      P    38_B     0.779     0    0.017   0.080     0.988   90.476   90.476
LGA    D    39_B      D    39_B     0.772     0    0.049   0.708     1.794   90.476   87.143
LGA    A    40_B      A    40_B     0.597     0    0.027   0.057     0.934   90.476   92.381
LGA    S    41_B      S    41_B     0.890     0    0.099   0.095     1.021   90.476   88.968
LGA    F    42_B      F    42_B     0.516     0    0.097   0.102     0.676   90.476   96.537
LGA    V    43_B      V    43_B     1.175     0    0.051   0.071     1.658   83.690   81.497
LGA    D    44_B      D    44_B     2.251     0    0.107   0.617     3.469   64.881   61.071
LGA    A    45_B      A    45_B     4.846     0    0.138   0.149     6.165   31.905   28.952
LGA    R    46_B      R    46_B     4.900     0    0.050   0.868     9.467   34.286   21.385
LGA    T    47_B      T    47_B     2.644     0    0.039   0.050     3.357   63.333   60.748
LGA    N    48_B      N    48_B     2.273     0    0.023   1.066     4.370   70.952   59.881
LGA    Q    49_B      Q    49_B     1.213     0    0.076   1.159     5.792   77.143   56.190
LGA    V    50_B      V    50_B     0.701     0    0.008   0.057     0.906   90.476   90.476
LGA    Y    51_B      Y    51_B     0.715     0    0.006   0.157     1.391   90.476   86.706
LGA    D    52_B      D    52_B     0.441     0    0.019   0.081     0.974   97.619   95.238
LGA    K    53_B      K    53_B     0.240     0    0.015   0.065     0.475  100.000  100.000
LGA    D    54_B      D    54_B     0.620     0    0.040   0.092     0.711   90.476   90.476
LGA    Q    55_B      Q    55_B     0.709     0    0.031   0.218     0.950   90.476   90.476
LGA    F    56_B      F    56_B     0.679     0    0.032   0.093     1.033   90.476   89.654
LGA    L    57_B      L    57_B     0.728     0    0.037   0.078     0.748   90.476   91.667
LGA    Q    58_B      Q    58_B     0.842     0    0.025   0.477     2.219   90.476   83.598
LGA    M    59_B      M    59_B     0.824     0    0.025   0.696     3.148   88.214   84.286
LGA    I    60_B      I    60_B     1.095     0    0.022   0.599     2.041   83.690   81.607
LGA    K    61_B      K    61_B     1.287     0    0.015   0.599     2.009   79.286   79.630
LGA    E    62_B      E    62_B     1.391     0    0.016   0.169     1.582   79.286   80.476
LGA    A    63_B      A    63_B     1.441     0    0.035   0.043     1.858   77.143   78.000
LGA    L    64_B      L    64_B     2.041     0    0.037   0.098     2.323   66.786   65.774
LGA    E    65_B      E    65_B     2.289     0    0.027   0.149     2.644   62.857   63.915
LGA    Q    66_B      Q    66_B     2.422     0    0.130   0.976     3.603   60.952   65.238
LGA    D    67_B      D    67_B     2.865     0    0.068   0.093     3.779   55.357   51.845
LGA    L    68_B      L    68_B     2.631     0    0.045   0.867     3.997   57.143   53.690
LGA    K    69_B      K    69_B     2.752     0    0.032   0.366     4.058   57.143   52.593
LGA    V    70_B      V    70_B     2.689     0    0.162   1.109     4.842   59.048   56.803
LGA    E    71_B      E    71_B     3.672     0    0.032   0.451     5.804   45.000   36.402
LGA    V    72_B      V    72_B     3.698     0    0.017   0.035     4.161   40.238   43.469
LGA    K    73_B      K    73_B     4.838     0    0.037   0.515     6.616   31.548   24.656
LGA    S    74_B      S    74_B     4.707     0    0.101   0.553     5.264   34.286   31.587
LGA    I    75_B      I    75_B     4.246     0    0.029   0.070     4.389   37.143   39.464
LGA    D    76_B      D    76_B     4.730     0    0.045   0.909     8.663   31.429   22.917
LGA    I    77_B      I    77_B     4.638     0    0.105   0.185     6.429   34.286   28.512
LGA    E    78_B      E    78_B     3.566     0    0.054   0.689     5.261   40.238   43.968
LGA    Q    79_B      Q    79_B     4.957     0    0.064   0.797    12.493   34.286   17.037
LGA    Q    80_B      Q    80_B     3.481     0    0.318   1.144     7.803   43.452   36.878
LGA    P    81_B      P    81_B     5.355     0    0.701   0.605     8.983   34.762   23.129
LGA    D    82_B      D    82_B     1.524     0    0.119   0.176     3.185   69.048   65.298
LGA    G    83_B      G    83_B     2.133     0    0.471   0.471     2.133   81.905   81.905
LGA    D    84_B      D    84_B     1.621     0    0.132   0.323     3.138   77.143   65.357
LGA    V    85_B      V    85_B     1.061     0    0.052   0.167     1.957   83.690   79.048
LGA    V    86_B      V    86_B     1.325     0    0.025   0.147     1.766   81.429   80.204
LGA    I    87_B      I    87_B     1.730     0    0.066   0.156     2.171   72.857   70.833
LGA    V    88_B      V    88_B     1.742     0    0.020   0.113     1.814   72.857   72.857
LGA    K    89_B      K    89_B     1.964     0    0.051   0.389     2.750   68.810   67.566
LGA    V    90_B      V    90_B     1.995     0    0.043   0.084     2.065   72.857   70.544
LGA    K    91_B      K    91_B     1.980     0    0.044   0.795     2.532   66.786   70.529
LGA    V    92_B      V    92_B     2.175     0    0.091   0.127     2.427   68.810   69.388
LGA    R    93_B      R    93_B     3.360     0    0.048   1.135    10.847   46.667   28.745
LGA    A    94_B      A    94_B     3.991     0    0.066   0.078     4.025   43.333   42.095
LGA    T    95_B      T    95_B     4.053     0    0.095   1.085     5.579   37.143   38.844
LGA    M    96_B      M    96_B     4.066     0    0.082   0.463     4.066   40.238   42.679
LGA    V    97_B      V    97_B     4.099     0    0.100   0.170     4.847   35.714   37.211
LGA    R    98_B      R    98_B     4.460     0    0.111   1.232     9.509   37.143   23.377
LGA    Q   101_B      Q   101_B     2.780     0    0.124   1.293     7.674   55.357   42.963
LGA    E   102_B      E   102_B     2.841     0    0.045   0.556     3.230   57.143   54.762
LGA    H   103_B      H   103_B     3.594     0    0.065   0.195     3.716   45.000   45.333
LGA    V   104_B      V   104_B     3.774     0    0.072   0.119     4.104   41.786   42.449
LGA    F   105_B      F   105_B     3.114     0    0.045   1.245     7.042   53.571   39.437
LGA    E   106_B      E   106_B     2.086     0    0.086   1.091     4.885   68.810   56.772
LGA    V   107_B      V   107_B     1.226     0    0.034   1.157     2.884   79.286   73.265
LGA    V   108_B      V   108_B     0.976     0    0.018   0.094     1.285   90.476   87.891
LGA    D   109_B      D   109_B     1.300     0    0.101   0.193     1.895   79.286   80.357
LGA    T   110_B      T   110_B     1.289     0    0.040   0.054     1.884   83.690   79.048
LGA    Y   111_B      Y   111_B     0.922     0    0.016   0.111     1.122   85.952   86.706
LGA    E   112_B      E   112_B     0.795     0    0.031   0.320     1.843   92.857   87.566
LGA    F   113_B      F   113_B     0.424     0    0.035   0.158     1.421   97.619   90.649
LGA    R   114_B      R   114_B     0.487     0    0.045   0.893     2.490   95.238   86.667
LGA    R   115_B      R   115_B     0.860     0    0.024   1.263     2.826   83.810   78.658
LGA    K   116_B      K   116_B     2.332     0    0.555   0.808     4.723   56.548   64.021
LGA    G   117_B      G   117_B     1.422     0    0.206   0.206     1.422   81.429   81.429
LGA    D   118_B      D   118_B     1.654     0    0.379   0.647     4.124   79.405   63.155
LGA    S   119_B      S   119_B     0.265     0    0.154   0.575     1.023   92.976   92.143
LGA    W   120_B      W   120_B     0.633     0    0.051   0.155     0.781   95.238   92.517
LGA    K   121_B      K   121_B     0.301     0    0.023   0.097     0.528  100.000   98.942
LGA    I   122_B      I   122_B     0.203     0    0.031   0.081     0.368  100.000  100.000
LGA    V   123_B      V   123_B     0.354     0    0.050   0.079     0.602   97.619   98.639
LGA    K   124_B      K   124_B     0.553     0    0.048   0.156     1.209   95.238   90.582
LGA    L   125_B      L   125_B     0.575     0    0.103   0.113     1.019   88.214   92.917
LGA    V   126_B      V   126_B     0.869     0    0.034   0.070     1.357   90.476   86.599
LGA    S   127_B      S   127_B     0.268     0    0.087   0.634     2.105   97.619   92.540
LGA    E   128_B      E   128_B     0.577     0    0.104   0.749     1.641   95.238   88.624
LGA    I   129_B      I   129_B     1.623     0    0.084   0.668     4.167   73.214   61.786
LGA    T   130_B      T   130_B     3.913     0    0.626   1.005     6.027   38.333   35.850
LGA    Q   131_B      Q   131_B     4.974     0    0.055   1.034    12.276   34.405   16.878
LGA    L   132_B      L   132_B     2.392     0    0.042   1.406     7.133   55.952   40.060
LGA    G   133_B      G   133_B     3.030     0    0.148   0.148     3.030   61.071   61.071
LGA    S   134_B      S   134_B     1.734     0    0.132   0.624     3.054   61.190   63.730

# 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):     2.275          2.271                  2.842           72.799   69.331

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    118    1.99    77.976    77.726     5.645

LGA_LOCAL      RMSD:   1.990  Number of atoms:  118  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.283  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.275  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.968879 * X  +   0.011173 * Y  +  -0.247282 * Z  + -17.464521
  Y_new =   0.142452 * X  +  -0.842149 * Y  +   0.520090 * Z  +  16.030672
  Z_new =  -0.202437 * X  +  -0.539130 * Y  +  -0.817532 * Z  +  21.788385 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.145982  0.203846 -2.558596   [DEG:    8.3641   11.6795 -146.5967 ]
ZXZ: -2.697769  2.527908 -2.782394   [DEG: -154.5708  144.8385 -159.4194 ]
 
# END of job
