
#######################################################
#                                                     #
#                        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  119 (  870),  selected  113 , name one
# Molecule2: number of CA atoms  113 (  828),  selected  113 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   113       7_A - 119_A       2.50     2.50
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87      31_A - 117_A       1.99     3.08
  LONGEST_CONTINUOUS_SEGMENT:    87      32_A - 118_A       1.99     3.14
  LCS_AVERAGE:     76.58

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    61       7_A - 67_A        1.00     5.64
  LONGEST_CONTINUOUS_SEGMENT:    61       8_A - 68_A        1.00     5.51
  LCS_AVERAGE:     50.44

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  113
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_A     E     7_A     61   85  113     22   40   57   68   77   83   95  102  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     61   85  113     30   47   60   72   81   89   99  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     61   85  113     20   40   57   68   76   81   88  102  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     61   85  113     23   43   57   68   76   81   95  102  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     61   85  113     30   47   60   72   78   85   96  105  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     61   85  113     30   47   60   72   79   88   99  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     61   85  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     61   85  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     61   85  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     61   85  113     23   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     61   85  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     61   85  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     61   85  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     61   85  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     61   85  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     61   85  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     61   85  113      6   43   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     61   85  113      4   17   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     61   85  113     19   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     61   85  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     61   85  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     61   85  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     61   85  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     61   85  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     61   87  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     61   87  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     61   87  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     61   87  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     61   87  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     61   87  113     26   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     61   87  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     61   87  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     61   87  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     61   87  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     61   87  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     61   87  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     61   87  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     61   87  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     61   87  113     30   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     61   87  113     27   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     61   87  113     16   46   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     61   87  113      2   24   59   67   76   90  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     61   87  113     27   42   61   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     61   87  113     23   46   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     61   87  113     27   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     61   87  113     27   46   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     61   87  113     27   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     61   87  113     27   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     61   87  113     27   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     61   87  113     27   44   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     61   87  113     27   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     61   87  113     27   44   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     61   87  113     27   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     61   87  113     12   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     61   87  113     12   47   63   74   81   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     61   87  113     12   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     61   87  113     26   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     61   87  113     27   42   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     61   87  113     26   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     61   87  113     27   47   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     61   87  113     27   46   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     61   87  113     27   45   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     59   87  113     27   44   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     52   87  113     27   44   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     52   87  113     27   44   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     52   87  113     27   44   62   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     52   87  113     24   44   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     52   87  113     27   44   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     52   87  113     27   44   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     52   87  113     27   44   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     52   87  113     27   44   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     52   87  113     27   44   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     52   87  113     27   44   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     52   87  113     26   44   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     52   87  113     27   44   59   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     52   87  113     15   44   59   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     52   87  113     26   44   59   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     52   87  113     20   44   59   72   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     52   87  113     25   44   59   72   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     52   87  113     25   44   59   69   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     52   87  113     24   42   59   71   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     52   87  113      3   37   57   71   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     52   87  113      3   30   59   67   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     52   87  113     25   44   59   67   83   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     52   87  113     25   44   59   67   83   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     52   87  113     25   42   58   67   75   92  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     52   87  113     23   34   54   67   73   78   94  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     52   87  113     14   34   54   67   73   80   97  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     52   87  113     25   43   59   67   75   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     52   87  113     25   44   59   67   78   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     52   87  113     25   44   59   67   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     52   87  113     25   44   59   67   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     52   87  113     25   44   59   71   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     52   87  113     25   37   54   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     52   87  113     13   34   43   67   81   91  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     52   87  113     25   35   63   74   82   93  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     52   87  113     27   38   63   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     52   87  113     26   44   59   74   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     52   87  113     25   44   59   72   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     52   87  113     25   44   59   67   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     52   87  113     25   44   59   67   83   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     52   87  113     25   44   59   67   81   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     52   87  113     25   44   59   67   75   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     52   87  113     23   34   54   67   73   80   99  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     52   87  113     23   36   56   67   73   80   99  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     52   87  113     25   40   58   67   75   90  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     52   87  113     25   44   59   67   82   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     52   87  113     25   44   59   67   83   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     52   87  113     25   44   59   67   84   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     52   87  113     25   44   59   67   83   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     52   87  113     25   43   59   67   78   94  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     52   87  113     25   36   56   67   73   87  101  106  109  111  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     52   83  113     18   34   42   56   70   76   80   91  107  111  113  113  113  113  113  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  75.68  (  50.44   76.58  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     30     47     63     74     84     94    101    106    109    111    113    113    113    113    113    113    113    113    113    113 
GDT PERCENT_AT  26.55  41.59  55.75  65.49  74.34  83.19  89.38  93.81  96.46  98.23 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.63   1.04   1.27   1.69   1.95   2.12   2.25   2.34   2.41   2.50   2.50   2.50   2.50   2.50   2.50   2.50   2.50   2.50   2.50
GDT RMS_ALL_AT   6.65   5.60   4.23   3.64   2.80   2.56   2.55   2.52   2.51   2.50   2.50   2.50   2.50   2.50   2.50   2.50   2.50   2.50   2.50   2.50

# Checking swapping
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    85_A      E    85_A
#   possible swapping detected:  E   118_A      E   118_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_A      E     7_A     4.861     0    0.046   0.948     5.319   31.429   33.545
LGA    C     8_A      C     8_A     3.995     0    0.025   0.057     4.549   35.833   40.635
LGA    A     9_A      A     9_A     5.741     0    0.043   0.056     6.432   21.548   20.667
LGA    S    10_A      S    10_A     5.574     0    0.044   0.161     5.606   23.810   23.810
LGA    N    11_A      N    11_A     4.542     0    0.016   1.016     4.893   34.286   36.548
LGA    P    12_A      P    12_A     4.044     0    0.052   0.077     4.067   40.238   42.517
LGA    C    13_A      C    13_A     2.736     0    0.050   0.050     3.259   53.571   57.302
LGA    L    14_A      L    14_A     2.796     0    0.010   0.152     3.787   59.048   54.583
LGA    N    15_A      N    15_A     2.542     0    0.033   0.109     2.761   60.952   61.905
LGA    Q    16_A      Q    16_A     2.506     0    0.041   0.718     4.757   60.952   50.741
LGA    G    17_A      G    17_A     2.461     0    0.096   0.096     2.837   62.857   62.857
LGA    T    18_A      T    18_A     2.130     0    0.096   1.147     3.828   66.786   61.769
LGA    C    19_A      C    19_A     2.368     0    0.069   0.078     2.810   62.857   60.952
LGA    I    20_A      I    20_A     1.611     0    0.013   0.515     1.840   72.857   77.143
LGA    D    21_A      D    21_A     2.045     0    0.030   0.851     5.674   70.833   56.250
LGA    D    22_A      D    22_A     1.790     0    0.052   0.870     4.412   70.833   60.833
LGA    V    23_A      V    23_A     2.241     0    0.101   0.113     2.910   62.857   61.497
LGA    A    24_A      A    24_A     1.607     0    0.533   0.522     3.505   65.595   63.905
LGA    G    25_A      G    25_A     2.279     0    0.075   0.075     2.279   72.976   72.976
LGA    Y    26_A      Y    26_A     2.548     0    0.037   0.133     4.253   59.048   50.952
LGA    K    27_A      K    27_A     1.780     0    0.081   0.876     6.367   70.833   55.926
LGA    C    28_A      C    28_A     1.387     0    0.037   0.040     2.058   83.690   78.730
LGA    N    29_A      N    29_A     0.754     0    0.017   1.102     2.360   85.952   81.786
LGA    C    30_A      C    30_A     0.856     0    0.079   0.103     1.066   90.476   88.968
LGA    L    31_A      L    31_A     1.477     0    0.095   0.242     2.247   81.429   77.202
LGA    L    32_A      L    32_A     1.798     0    0.027   0.102     2.854   66.905   65.893
LGA    P    33_A      P    33_A     1.394     0    0.119   0.154     2.003   81.548   77.891
LGA    Y    34_A      Y    34_A     0.589     0    0.046   0.087     1.781   92.857   83.095
LGA    T    35_A      T    35_A     0.892     0    0.047   0.085     1.148   85.952   86.599
LGA    G    36_A      G    36_A     1.544     0    0.016   0.016     1.901   75.000   75.000
LGA    A    37_A      A    37_A     2.156     0    0.062   0.060     2.645   66.786   64.857
LGA    T    38_A      T    38_A     2.170     0    0.045   0.096     3.066   66.786   61.633
LGA    C    39_A      C    39_A     1.428     0    0.020   0.051     1.621   75.000   77.143
LGA    E    40_A      E    40_A     1.951     0    0.076   0.338     2.536   72.857   67.513
LGA    V    41_A      V    41_A     1.274     0    0.058   0.062     1.834   85.952   82.789
LGA    V    42_A      V    42_A     0.492     0    0.016   0.029     0.960   97.619   94.558
LGA    L    43_A      L    43_A     0.990     0    0.078   0.075     1.422   85.952   83.690
LGA    A    44_A      A    44_A     1.327     0    0.028   0.035     1.622   77.143   78.000
LGA    P    45_A      P    45_A     1.755     0    0.045   0.095     2.059   70.833   71.701
LGA    C    46_A      C    46_A     2.202     0    0.027   0.032     2.400   66.786   66.111
LGA    A    47_A      A    47_A     1.703     0    0.642   0.608     2.887   71.071   69.810
LGA    P    48_A      P    48_A     3.704     0    0.071   0.291     5.487   46.429   43.673
LGA    S    49_A      S    49_A     2.564     0    0.156   0.148     3.220   60.952   57.302
LGA    P    50_A      P    50_A     2.522     0    0.097   0.113     2.572   60.952   60.408
LGA    C    51_A      C    51_A     2.632     0    0.117   0.149     3.191   55.357   55.952
LGA    R    52_A      R    52_A     2.387     0    0.020   0.655     2.526   64.762   67.056
LGA    N    53_A      N    53_A     2.375     0    0.047   0.167     2.400   64.762   64.762
LGA    G    54_A      G    54_A     2.555     0    0.035   0.035     2.555   59.048   59.048
LGA    G    55_A      G    55_A     2.263     0    0.048   0.048     2.442   64.762   64.762
LGA    E    56_A      E    56_A     2.454     0    0.013   1.163     6.779   64.762   47.090
LGA    C    57_A      C    57_A     2.464     0    0.044   0.042     2.523   64.762   63.492
LGA    R    58_A      R    58_A     2.360     0    0.064   1.421     6.438   64.762   50.563
LGA    Q    59_A      Q    59_A     1.965     0    0.024   0.676     3.783   68.810   59.418
LGA    S    60_A      S    60_A     2.614     0    0.021   0.107     2.768   60.952   60.952
LGA    E    61_A      E    61_A     2.925     0    0.021   0.975     6.134   57.143   44.815
LGA    D    62_A      D    62_A     2.458     0    0.031   0.244     2.930   62.857   60.952
LGA    Y    63_A      Y    63_A     2.093     0    0.072   0.144     2.396   66.786   65.437
LGA    E    64_A      E    64_A     2.125     0    0.022   0.384     2.900   64.762   64.815
LGA    S    65_A      S    65_A     2.569     0    0.069   0.117     3.075   62.857   59.762
LGA    F    66_A      F    66_A     2.328     0    0.033   0.125     2.406   64.762   64.762
LGA    S    67_A      S    67_A     2.130     0    0.045   0.075     2.385   64.762   64.762
LGA    C    68_A      C    68_A     2.041     0    0.036   0.044     2.225   68.810   67.460
LGA    V    69_A      V    69_A     1.997     0    0.011   0.032     2.139   70.833   68.231
LGA    C    70_A      C    70_A     1.912     0    0.041   0.040     1.935   72.857   72.857
LGA    P    71_A      P    71_A     2.017     0    0.008   0.053     2.171   68.810   67.075
LGA    T    72_A      T    72_A     1.663     0    0.011   0.029     1.882   72.857   72.857
LGA    G    73_A      G    73_A     1.331     0    0.028   0.028     1.471   81.429   81.429
LGA    W    74_A      W    74_A     1.695     0    0.053   0.108     2.192   72.857   67.653
LGA    Q    75_A      Q    75_A     1.430     0    0.032   0.267     1.628   75.000   78.624
LGA    G    76_A      G    76_A     1.557     0    0.031   0.031     1.794   75.000   75.000
LGA    Q    77_A      Q    77_A     1.745     0    0.019   0.068     1.957   72.857   72.857
LGA    T    78_A      T    78_A     2.135     0    0.017   0.052     2.293   64.762   64.762
LGA    C    79_A      C    79_A     2.086     0    0.018   0.057     2.195   64.762   64.762
LGA    E    80_A      E    80_A     2.135     0    0.063   0.950     6.556   64.762   50.212
LGA    V    81_A      V    81_A     1.810     0    0.043   0.044     1.848   72.857   72.857
LGA    D    82_A      D    82_A     1.938     0    0.041   0.096     2.241   72.976   68.869
LGA    I    83_A      I    83_A     1.161     0    0.057   0.059     1.477   85.952   85.952
LGA    N    84_A      N    84_A     0.985     0    0.044   0.068     1.521   88.214   83.750
LGA    E    85_A      E    85_A     0.457     0    0.025   0.071     0.854   92.857   93.651
LGA    C    86_A      C    86_A     0.868     0    0.083   0.090     1.080   90.476   87.460
LGA    V    87_A      V    87_A     0.862     0    0.055   0.057     1.143   88.214   87.891
LGA    L    88_A      L    88_A     1.000     0    0.463   0.351     4.584   81.786   62.976
LGA    S    89_A      S    89_A     1.725     0    0.370   0.733     4.977   72.976   63.413
LGA    P    90_A      P    90_A     1.903     0    0.127   0.197     2.233   68.810   68.231
LGA    C    91_A      C    91_A     2.213     0    0.031   0.050     2.666   60.952   63.571
LGA    R    92_A      R    92_A     3.519     0    0.025   1.343     3.852   46.786   52.424
LGA    H    93_A      H    93_A     4.715     0    0.062   0.072     5.382   32.857   29.905
LGA    G    94_A      G    94_A     4.540     0    0.117   0.117     4.540   35.714   35.714
LGA    A    95_A      A    95_A     3.345     0    0.024   0.034     3.740   48.333   48.667
LGA    S    96_A      S    96_A     2.918     0    0.041   0.071     3.128   59.167   57.302
LGA    C    97_A      C    97_A     1.713     0    0.016   0.039     2.104   68.810   71.587
LGA    Q    98_A      Q    98_A     1.630     0    0.011   0.111     2.576   79.286   73.069
LGA    N    99_A      N    99_A     1.710     0    0.064   0.212     3.047   68.810   65.952
LGA    T   100_A      T   100_A     2.501     0    0.024   0.088     2.836   59.048   62.653
LGA    H   101_A      H   101_A     3.683     0    0.026   1.157     7.417   45.000   33.810
LGA    G   102_A      G   102_A     3.282     0    0.103   0.103     3.289   51.786   51.786
LGA    G   103_A      G   103_A     2.244     0    0.042   0.042     2.529   69.048   69.048
LGA    Y   104_A      Y   104_A     0.847     0    0.048   0.100     1.862   88.214   86.032
LGA    R   105_A      R   105_A     0.383     0    0.042   1.187     4.562   90.595   75.065
LGA    C   106_A      C   106_A     1.379     0    0.050   0.097     1.786   79.405   77.222
LGA    H   107_A      H   107_A     2.137     0    0.065   1.130     3.301   64.881   62.571
LGA    C   108_A      C   108_A     2.528     0    0.007   0.068     2.862   59.048   60.952
LGA    Q   109_A      Q   109_A     3.375     0    0.028   0.664     6.147   46.667   40.741
LGA    A   110_A      A   110_A     4.127     0    0.030   0.033     4.737   37.262   36.095
LGA    G   111_A      G   111_A     4.078     0    0.110   0.110     4.078   41.786   41.786
LGA    Y   112_A      Y   112_A     3.552     0    0.041   0.087     6.217   48.452   35.675
LGA    S   113_A      S   113_A     2.416     0    0.033   0.123     2.981   60.952   60.952
LGA    G   114_A      G   114_A     2.311     0    0.027   0.027     2.311   68.810   68.810
LGA    R   115_A      R   115_A     1.877     0    0.014   0.692     4.483   72.976   64.762
LGA    N   116_A      N   116_A     2.342     0    0.012   0.398     3.153   60.952   61.071
LGA    C   117_A      C   117_A     2.870     0    0.024   0.049     3.524   51.905   54.921
LGA    E   118_A      E   118_A     3.804     0    0.061   0.135     4.551   40.476   44.286
LGA    T   119_A      T   119_A     5.188     0    0.155   0.209     5.636   30.238   27.823

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      113     452    452  100.00     828    828  100.00               113
SUMMARY(RMSD_GDC):     2.495          2.492                  2.745           65.438   62.948

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0    106    2.25    75.221    79.913     4.509

LGA_LOCAL      RMSD:   2.251  Number of atoms:  106  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.516  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   2.495  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.939602 * X  +  -0.157191 * Y  +   0.304037 * Z  +   6.372365
  Y_new =  -0.232851 * X  +  -0.357478 * Y  +  -0.904428 * Z  +  19.047979
  Z_new =   0.250855 * X  +  -0.920598 * Y  +   0.299285 * Z  +  24.930040 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.898669 -0.253563 -1.256475   [DEG: -166.0815  -14.5281  -71.9907 ]
ZXZ:  0.324297  1.266853  2.875560   [DEG:   18.5808   72.5853  164.7575 ]
 
# END of job
