
#######################################################
#                                                     #
#                        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       3.07     3.07
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    59       7_B - 65_B        1.98     3.72
  LCS_AVERAGE:     37.01

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34      10_B - 43_B        0.95     3.22
  LCS_AVERAGE:     15.95

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     30   59  126      8   24   59   79   91   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     E     8_B     E     8_B     30   59  126      8   18   29   69   85   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     A     9_B     A     9_B     30   59  126      8   21   52   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     K    10_B     K    10_B     34   59  126      8   46   73   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     E    11_B     E    11_B     34   59  126      8   21   59   79   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     A    12_B     A    12_B     34   59  126      8   21   52   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     I    13_B     I    13_B     34   59  126      8   47   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     I    14_B     I    14_B     34   59  126     21   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     A    15_B     A    15_B     34   59  126     21   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     M    16_B     M    16_B     34   59  126     26   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     L    17_B     L    17_B     34   59  126     26   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     K    18_B     K    18_B     34   59  126     13   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     E    19_B     E    19_B     34   59  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     W    20_B     W    20_B     34   59  126     13   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     Y    21_B     Y    21_B     34   59  126     13   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     D    22_B     D    22_B     34   59  126     13   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     A    23_B     A    23_B     34   59  126     12   52   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     M    24_B     M    24_B     34   59  126     13   39   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     N    25_B     N    25_B     34   59  126     13   40   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     E    26_B     E    26_B     34   59  126     13   40   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     G    27_B     G    27_B     34   59  126     13   40   73   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     D    28_B     D    28_B     34   59  126     13   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     M    29_B     M    29_B     34   59  126     15   52   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     E    30_B     E    30_B     34   59  126     22   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     K    31_B     K    31_B     34   59  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     L    32_B     L    32_B     34   59  126     14   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     R    33_B     R    33_B     34   59  126     16   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     S    34_B     S    34_B     34   59  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     L    35_B     L    35_B     34   59  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     V    36_B     V    36_B     34   59  126     23   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     D    37_B     D    37_B     34   59  126     23   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     P    38_B     P    38_B     34   59  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     D    39_B     D    39_B     34   59  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     A    40_B     A    40_B     34   59  126     23   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     S    41_B     S    41_B     34   59  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     F    42_B     F    42_B     34   59  126     23   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     V    43_B     V    43_B     34   59  126     24   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     D    44_B     D    44_B     33   59  126      7   19   49   80   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     A    45_B     A    45_B      4   59  126      3    4    8   16   48   65   81   99  109  113  116  120  122  122  123  125  126  126  126  126 
LCS_GDT     R    46_B     R    46_B      4   59  126      3    4    5   12   21   31   68   79   98  111  116  120  122  122  123  125  126  126  126  126 
LCS_GDT     T    47_B     T    47_B     13   59  126      3   17   62   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     N    48_B     N    48_B     13   59  126      9   37   65   82   92   98  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     Q    49_B     Q    49_B     13   59  126     13   57   72   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     V    50_B     V    50_B     13   59  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     Y    51_B     Y    51_B     13   59  126     21   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     D    52_B     D    52_B     13   59  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     K    53_B     K    53_B     13   59  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     D    54_B     D    54_B     13   59  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     Q    55_B     Q    55_B     13   59  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     F    56_B     F    56_B     13   59  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     L    57_B     L    57_B     13   59  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     Q    58_B     Q    58_B     13   59  126     22   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     M    59_B     M    59_B     13   59  126      5   16   58   79   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     I    60_B     I    60_B     13   59  126      5    9   27   54   84   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     K    61_B     K    61_B     11   59  126      5   15   36   54   82   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     E    62_B     E    62_B     10   59  126      5   11   24   49   64   89   95  105  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     A    63_B     A    63_B     10   59  126      5    7   15   19   46   66   78   98  106  112  116  120  122  122  123  125  126  126  126  126 
LCS_GDT     L    64_B     L    64_B      3   59  126      3    3    6   15   21   75   93  103  108  112  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     E    65_B     E    65_B      3   59  126      3   19   67   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     Q    66_B     Q    66_B      4    9  126      3    9   17   43   67   86  101  105  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     D    67_B     D    67_B      4    9  126      3    4    4    5    7   86   99  105  108  112  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     L    68_B     L    68_B      6    9  126      3    8   12   30   55   88   99  104  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     K    69_B     K    69_B      6    9  126      3   25   59   82   91   98  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     V    70_B     V    70_B      6    9  126     12   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     E    71_B     E    71_B      6    9  126      8   44   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     V    72_B     V    72_B      6    9  126      4   44   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     K    73_B     K    73_B      6    9  126      4   42   72   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     S    74_B     S    74_B      5    9  126      3    3   23   70   91   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     I    75_B     I    75_B      3    7  126      0    3   11   14   24   28   54   95  106  110  116  120  122  122  123  125  126  126  126  126 
LCS_GDT     D    76_B     D    76_B      5    7  126      3    4    5   28   61   82   98  105  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     I    77_B     I    77_B      5    7  126      3   13   24   36   59   77   93  102  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     E    78_B     E    78_B      5    7  126      3   13   29   48   67   94  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     Q    79_B     Q    79_B      5    9  126      3    4    6   16   25   48   64   99  106  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     Q    80_B     Q    80_B      5   12  126      3    4   11   35   46   83   99  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     P    81_B     P    81_B      4   16  126      3    4    5    6   17   32   39   81  101  111  116  120  122  122  123  125  126  126  126  126 
LCS_GDT     D    82_B     D    82_B      4   47  126      3   13   44   76   90   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     G    83_B     G    83_B     14   47  126     17   42   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     D    84_B     D    84_B     14   47  126     15   35   66   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     V    85_B     V    85_B     14   47  126     20   48   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     V    86_B     V    86_B     14   47  126     23   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     I    87_B     I    87_B     14   47  126     23   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     V    88_B     V    88_B     14   47  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     K    89_B     K    89_B     14   47  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     V    90_B     V    90_B     14   47  126      7   39   70   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     K    91_B     K    91_B     14   47  126     21   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     V    92_B     V    92_B     14   47  126     24   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     R    93_B     R    93_B     14   47  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     A    94_B     A    94_B     14   47  126     26   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     T    95_B     T    95_B     14   47  126     25   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     M    96_B     M    96_B     14   47  126      7   37   68   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     V    97_B     V    97_B     10   47  126      5   11   35   64   87   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     R    98_B     R    98_B      9   47  126      5    8   10   14   24   48   73  102  108  112  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     Q   101_B     Q   101_B      9   47  126      5    8   10   14   19   56   82   93  106  112  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     E   102_B     E   102_B      9   47  126      5   12   41   67   87   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     H   103_B     H   103_B     14   47  126      5   21   61   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     V   104_B     V   104_B     26   47  126      7   46   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     F   105_B     F   105_B     26   47  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     E   106_B     E   106_B     26   47  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     V   107_B     V   107_B     26   47  126     23   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     V   108_B     V   108_B     26   47  126     23   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     D   109_B     D   109_B     26   47  126     21   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     T   110_B     T   110_B     26   47  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B     26   47  126     24   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     E   112_B     E   112_B     26   47  126     23   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     F   113_B     F   113_B     26   47  126     23   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     26   47  126     23   58   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     R   115_B     R   115_B     26   47  126     20   48   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     K   116_B     K   116_B     26   47  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     G   117_B     G   117_B     26   47  126      3   18   52   71   88   97  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     D   118_B     D   118_B     26   47  126      3    4   54   83   92   98  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     S   119_B     S   119_B     26   47  126      3   33   52   77   91   98  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     W   120_B     W   120_B     26   47  126     20   42   71   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     K   121_B     K   121_B     26   47  126     23   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     I   122_B     I   122_B     26   47  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     V   123_B     V   123_B     26   47  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     K   124_B     K   124_B     26   47  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     L   125_B     L   125_B     26   47  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     V   126_B     V   126_B     26   47  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     S   127_B     S   127_B     26   47  126     27   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     E   128_B     E   128_B     26   47  126     21   60   74   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     I   129_B     I   129_B     26   47  126      5   42   69   83   92   99  103  106  110  113  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     T   130_B     T   130_B      3   47  126      3    4   21   53   76   91   99  105  108  112  117  120  122  122  123  125  126  126  126  126 
LCS_GDT     Q   131_B     Q   131_B      4   28  126      3    3    4    6    6    9   11   56   63   73   89  104  109  120  123  125  126  126  126  126 
LCS_GDT     L   132_B     L   132_B      4    4  126      3    3    4    6   12   31   60   80   94  102  110  114  119  121  123  125  126  126  126  126 
LCS_GDT     G   133_B     G   133_B      4    4  126      3    3    4    6   23   31   59   80   94   99  105  112  118  121  123  125  126  126  126  126 
LCS_GDT     S   134_B     S   134_B      4    4  126      3    3    4   12   23   40   64   81   94   99  105  112  118  121  123  125  126  126  126  126 
LCS_AVERAGE  LCS_A:  50.99  (  15.95   37.01  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     27     60     74     83     92     99    103    106    110    113    117    120    122    122    123    125    126    126    126    126 
GDT PERCENT_AT  21.43  47.62  58.73  65.87  73.02  78.57  81.75  84.13  87.30  89.68  92.86  95.24  96.83  96.83  97.62  99.21 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.38   0.63   0.84   0.98   1.23   1.53   1.59   1.75   1.97   2.14   2.35   2.53   2.64   2.64   2.74   2.96   3.07   3.07   3.07   3.07
GDT RMS_ALL_AT   3.18   3.17   3.14   3.15   3.13   3.10   3.11   3.10   3.12   3.14   3.10   3.11   3.12   3.12   3.10   3.08   3.07   3.07   3.07   3.07

# Checking swapping
#   possible swapping detected:  E     7_B      E     7_B
#   possible swapping detected:  E    11_B      E    11_B
#   possible swapping detected:  Y    21_B      Y    21_B
#   possible swapping detected:  D    37_B      D    37_B
#   possible swapping detected:  F    42_B      F    42_B
#   possible swapping detected:  F    56_B      F    56_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  D    67_B      D    67_B
#   possible swapping detected:  E   102_B      E   102_B
#   possible swapping detected:  E   106_B      E   106_B
#   possible swapping detected:  E   112_B      E   112_B
#   possible swapping detected:  F   113_B      F   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     2.992     0    0.696   0.920     7.997   45.833   34.550
LGA    E     8_B      E     8_B     3.785     0    0.057   0.872     7.767   48.333   32.169
LGA    A     9_B      A     9_B     2.499     0    0.066   0.071     2.921   66.905   64.952
LGA    K    10_B      K    10_B     1.398     0    0.074   1.065     3.215   75.000   71.323
LGA    E    11_B      E    11_B     2.607     0    0.035   0.774     6.417   62.857   45.291
LGA    A    12_B      A    12_B     2.311     0    0.025   0.043     2.584   68.810   66.476
LGA    I    13_B      I    13_B     1.364     0    0.059   0.412     3.790   83.810   75.774
LGA    I    14_B      I    14_B     0.751     0    0.029   0.287     1.675   90.476   87.143
LGA    A    15_B      A    15_B     0.776     0    0.026   0.033     0.888   90.476   90.476
LGA    M    16_B      M    16_B     0.952     0    0.040   1.150     5.083   90.476   74.881
LGA    L    17_B      L    17_B     0.917     0    0.035   0.858     2.488   88.214   82.917
LGA    K    18_B      K    18_B     0.913     0    0.025   1.123     7.159   90.476   63.757
LGA    E    19_B      E    19_B     0.820     0    0.024   0.952     3.327   90.476   79.683
LGA    W    20_B      W    20_B     1.050     0    0.043   1.651     5.531   83.690   66.259
LGA    Y    21_B      Y    21_B     1.084     0    0.035   0.195     1.474   81.429   84.444
LGA    D    22_B      D    22_B     1.178     0    0.033   0.239     1.491   81.429   81.429
LGA    A    23_B      A    23_B     1.543     0    0.034   0.034     1.656   75.000   74.571
LGA    M    24_B      M    24_B     1.621     0    0.024   0.948     3.093   72.857   68.036
LGA    N    25_B      N    25_B     1.553     0    0.073   0.811     2.117   72.857   72.976
LGA    E    26_B      E    26_B     1.579     0    0.100   0.274     1.762   72.857   75.714
LGA    G    27_B      G    27_B     1.694     0    0.071   0.071     1.757   77.143   77.143
LGA    D    28_B      D    28_B     1.064     0    0.059   0.223     1.637   81.429   81.488
LGA    M    29_B      M    29_B     1.101     0    0.095   1.075     5.750   88.214   70.238
LGA    E    30_B      E    30_B     0.512     0    0.059   1.001     3.636   90.476   75.820
LGA    K    31_B      K    31_B     0.689     0    0.025   0.794     2.056   90.476   85.661
LGA    L    32_B      L    32_B     1.012     0    0.032   0.068     1.132   85.952   83.690
LGA    R    33_B      R    33_B     0.892     0    0.047   1.205     7.519   90.476   58.745
LGA    S    34_B      S    34_B     0.533     0    0.179   0.526     2.416   88.214   84.683
LGA    L    35_B      L    35_B     0.344     0    0.171   0.145     0.548   97.619   97.619
LGA    V    36_B      V    36_B     0.825     0    0.052   0.080     0.850   90.476   90.476
LGA    D    37_B      D    37_B     0.938     0    0.048   0.264     1.398   90.476   90.536
LGA    P    38_B      P    38_B     0.731     0    0.032   0.116     1.130   90.476   89.184
LGA    D    39_B      D    39_B     0.678     0    0.126   1.040     4.364   90.476   73.750
LGA    A    40_B      A    40_B     0.939     0    0.037   0.049     1.281   90.476   88.667
LGA    S    41_B      S    41_B     0.599     0    0.145   0.641     2.285   90.476   86.190
LGA    F    42_B      F    42_B     0.765     0    0.077   0.960     6.112   92.857   60.952
LGA    V    43_B      V    43_B     0.867     0    0.076   1.028     3.189   90.476   82.177
LGA    D    44_B      D    44_B     2.396     0    0.270   0.515     5.454   59.405   49.405
LGA    A    45_B      A    45_B     6.158     0    0.084   0.081     7.785   19.762   17.238
LGA    R    46_B      R    46_B     6.943     0    0.637   1.238    16.190   16.310    6.623
LGA    T    47_B      T    47_B     2.159     0    0.687   0.594     3.503   55.714   58.639
LGA    N    48_B      N    48_B     2.530     0    0.065   1.040     6.100   61.190   52.679
LGA    Q    49_B      Q    49_B     1.339     0    0.072   1.155     4.556   79.286   64.497
LGA    V    50_B      V    50_B     0.651     0    0.087   1.013     2.978   88.214   80.748
LGA    Y    51_B      Y    51_B     0.993     0    0.035   0.120     1.903   90.476   81.587
LGA    D    52_B      D    52_B     0.817     0    0.053   1.162     3.737   90.476   79.048
LGA    K    53_B      K    53_B     0.410     0    0.038   0.790     2.235   97.619   87.937
LGA    D    54_B      D    54_B     0.316     0    0.068   0.109     1.352  100.000   94.107
LGA    Q    55_B      Q    55_B     0.525     0    0.029   1.087     4.840   92.857   77.566
LGA    F    56_B      F    56_B     0.537     0    0.031   0.478     2.476   95.238   83.506
LGA    L    57_B      L    57_B     0.187     0    0.029   0.272     0.623   97.619   97.619
LGA    Q    58_B      Q    58_B     0.532     0    0.043   1.676     5.587   86.190   70.265
LGA    M    59_B      M    59_B     2.560     0    0.061   1.283     5.130   55.833   49.107
LGA    I    60_B      I    60_B     3.499     0    0.022   1.090     6.340   45.476   40.060
LGA    K    61_B      K    61_B     3.727     0    0.039   1.094     6.857   36.548   32.381
LGA    E    62_B      E    62_B     5.070     0    0.127   0.936     6.356   25.476   30.688
LGA    A    63_B      A    63_B     6.592     0    0.332   0.332     9.174   19.524   15.905
LGA    L    64_B      L    64_B     5.682     0    0.084   0.193    11.162   29.048   16.607
LGA    E    65_B      E    65_B     2.345     0    0.572   1.408     8.021   51.429   35.926
LGA    Q    66_B      Q    66_B     4.574     0    0.570   1.131    11.209   45.476   22.963
LGA    D    67_B      D    67_B     4.500     0    0.479   1.452     9.023   40.476   22.857
LGA    L    68_B      L    68_B     4.501     0    0.592   0.979    10.376   35.833   20.357
LGA    K    69_B      K    69_B     2.829     0    0.039   0.626     9.829   65.000   37.566
LGA    V    70_B      V    70_B     1.459     0    0.155   1.081     2.952   72.976   73.129
LGA    E    71_B      E    71_B     1.867     0    0.148   0.244     3.022   72.857   65.873
LGA    V    72_B      V    72_B     1.837     0    0.080   1.186     3.093   70.833   67.279
LGA    K    73_B      K    73_B     2.343     0    0.643   1.053     7.637   59.405   39.048
LGA    S    74_B      S    74_B     2.728     0    0.587   0.944     6.807   47.857   39.365
LGA    I    75_B      I    75_B     6.240     0    0.590   1.609    11.614   27.976   14.643
LGA    D    76_B      D    76_B     5.200     0    0.603   0.694     7.354   27.500   22.560
LGA    I    77_B      I    77_B     5.731     0    0.048   1.006     8.011   23.810   21.250
LGA    E    78_B      E    78_B     4.439     0    0.103   0.209     5.559   30.357   32.910
LGA    Q    79_B      Q    79_B     6.103     0    0.069   0.668    13.410   19.524    9.365
LGA    Q    80_B      Q    80_B     5.331     0    0.101   1.342     5.784   25.000   30.794
LGA    P    81_B      P    81_B     6.975     0    0.743   0.613    10.117   19.762   11.701
LGA    D    82_B      D    82_B     3.145     0    0.112   1.293     5.393   54.762   49.464
LGA    G    83_B      G    83_B     1.814     0    0.518   0.518     1.814   75.000   75.000
LGA    D    84_B      D    84_B     2.459     0    0.232   0.252     3.867   62.857   56.488
LGA    V    85_B      V    85_B     1.388     0    0.037   0.130     1.770   81.429   77.755
LGA    V    86_B      V    86_B     0.654     0    0.097   0.207     0.981   92.857   93.197
LGA    I    87_B      I    87_B     0.613     0    0.066   1.101     2.655   90.476   79.881
LGA    V    88_B      V    88_B     0.230     0    0.080   0.148     0.806   97.619   95.918
LGA    K    89_B      K    89_B     0.736     0    0.083   0.826     6.044   88.333   63.968
LGA    V    90_B      V    90_B     1.851     0    0.135   1.117     3.982   79.286   70.000
LGA    K    91_B      K    91_B     0.923     0    0.024   0.981     6.119   88.214   67.619
LGA    V    92_B      V    92_B     0.877     0    0.038   0.106     1.059   90.476   89.184
LGA    R    93_B      R    93_B     0.946     0    0.051   0.652     2.660   90.476   80.173
LGA    A    94_B      A    94_B     0.930     0    0.024   0.029     0.949   90.476   90.476
LGA    T    95_B      T    95_B     1.014     0    0.035   1.112     2.365   79.286   76.599
LGA    M    96_B      M    96_B     2.023     0    0.117   0.962     3.594   70.952   62.381
LGA    V    97_B      V    97_B     3.309     0    0.251   0.345     5.325   41.190   41.361
LGA    R    98_B      R    98_B     6.042     0    0.391   1.362    13.013   18.810   10.173
LGA    Q   101_B      Q   101_B     7.107     0    0.121   0.217    11.124   16.190    8.148
LGA    E   102_B      E   102_B     3.925     0    0.060   0.744     6.616   37.500   28.995
LGA    H   103_B      H   103_B     2.315     0    0.034   0.161     3.954   66.905   57.571
LGA    V   104_B      V   104_B     1.300     0    0.064   1.058     3.397   83.810   77.075
LGA    F   105_B      F   105_B     0.608     0    0.078   1.041     8.126   92.857   51.861
LGA    E   106_B      E   106_B     0.570     0    0.065   1.079     4.778   90.476   72.910
LGA    V   107_B      V   107_B     1.045     0    0.103   1.112     2.745   88.214   79.456
LGA    V   108_B      V   108_B     0.968     0    0.065   0.103     1.137   88.214   87.891
LGA    D   109_B      D   109_B     0.978     0    0.103   0.250     1.718   85.952   83.750
LGA    T   110_B      T   110_B     0.335     0    0.089   0.102     1.143   97.619   93.265
LGA    Y   111_B      Y   111_B     0.266     0    0.036   0.112     1.648  100.000   90.714
LGA    E   112_B      E   112_B     0.534     0    0.036   0.606     2.193   92.857   81.905
LGA    F   113_B      F   113_B     0.522     0    0.027   1.419     7.268   90.476   60.433
LGA    R   114_B      R   114_B     0.970     0    0.043   0.861     6.290   88.214   62.814
LGA    R   115_B      R   115_B     1.275     0    0.057   0.934     3.133   85.952   69.134
LGA    K   116_B      K   116_B     0.630     0    0.260   1.010     4.527   81.667   70.635
LGA    G   117_B      G   117_B     3.475     0    0.608   0.608     5.643   42.976   42.976
LGA    D   118_B      D   118_B     2.344     0    0.203   0.650     3.511   59.167   57.381
LGA    S   119_B      S   119_B     2.769     0    0.106   0.627     3.424   62.857   59.762
LGA    W   120_B      W   120_B     1.704     0    0.117   0.255     4.459   72.976   56.361
LGA    K   121_B      K   121_B     0.949     0    0.030   0.617     2.439   88.214   79.894
LGA    I   122_B      I   122_B     0.454     0    0.055   1.251     2.500   90.595   79.940
LGA    V   123_B      V   123_B     0.354     0    0.164   1.111     2.838   92.976   84.830
LGA    K   124_B      K   124_B     0.435     0    0.045   0.669     1.725   97.619   90.688
LGA    L   125_B      L   125_B     0.545     0    0.178   1.359     4.344   92.857   76.726
LGA    V   126_B      V   126_B     0.278     0    0.091   1.106     2.845  100.000   88.844
LGA    S   127_B      S   127_B     0.658     0    0.082   0.649     2.871   92.857   86.508
LGA    E   128_B      E   128_B     0.676     0    0.148   0.990     2.771   83.810   76.138
LGA    I   129_B      I   129_B     1.923     0    0.578   1.033     4.532   63.690   54.583
LGA    T   130_B      T   130_B     4.875     0    0.619   1.012     8.070   23.214   21.973
LGA    Q   131_B      Q   131_B    10.048     0    0.592   1.169    17.668    1.905    0.847
LGA    L   132_B      L   132_B     8.068     0    0.645   1.035     8.554    4.286    7.024
LGA    G   133_B      G   133_B     9.088     0    0.294   0.294    10.968    1.190    1.190
LGA    S   134_B      S   134_B     9.713     0    0.760   0.663    13.427    0.476    3.333

# 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):     3.074          3.101                  4.026           69.666   61.499

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    106    1.75    74.206    67.917     5.730

LGA_LOCAL      RMSD:   1.750  Number of atoms:  106  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.102  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   3.074  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.421311 * X  +  -0.715451 * Y  +  -0.557340 * Z  +  66.225868
  Y_new =  -0.525239 * X  +   0.693478 * Y  +  -0.493165 * Z  +  47.799774
  Z_new =   0.739338 * X  +   0.084961 * Y  +  -0.667953 * Z  +   2.129503 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.246836 -0.832087  3.015076   [DEG: -128.7342  -47.6751  172.7511 ]
ZXZ: -0.846412  2.302250  1.456384   [DEG:  -48.4958  131.9092   83.4446 ]
 
# END of job
