
#######################################################
#                                                     #
#                        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       3.97     3.97
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    56      33_A - 88_A        1.96     5.92
  LONGEST_CONTINUOUS_SEGMENT:    56      34_A - 89_A        1.88     5.77
  LONGEST_CONTINUOUS_SEGMENT:    56      35_A - 90_A        1.91     5.64
  LCS_AVERAGE:     44.87

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    43      42_A - 84_A        0.96     6.75
  LONGEST_CONTINUOUS_SEGMENT:    43      43_A - 85_A        0.95     6.68
  LCS_AVERAGE:     35.12

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     38   49  113     23   34   37   39   41   46   63   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     38   49  113     23   34   37   39   41   50   63   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     38   49  113     23   34   37   39   41   44   61   74   81   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     38   49  113     12   34   37   39   41   43   46   49   77   89   98  106  109  111  112  112  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     38   49  113     24   34   37   39   41   51   63   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     38   49  113     24   34   37   39   41   51   63   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     38   49  113     24   34   37   39   41   51   64   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     38   49  113     24   34   37   39   41   51   63   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     38   49  113     24   34   37   39   41   51   63   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     38   49  113     24   34   37   39   41   51   63   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     38   49  113     24   34   37   39   41   51   63   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     38   49  113     24   34   37   39   41   51   63   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     38   49  113     24   34   37   39   41   51   63   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     38   49  113     24   34   37   39   48   57   65   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     38   49  113     24   34   37   44   53   58   66   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     38   49  113     24   34   41   49   54   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     38   49  113     22   35   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     38   49  113      4    5    5    7   47   56   65   70   79   87   99  105  109  111  112  112  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     38   49  113     21   34   40   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     38   49  113     24   34   40   49   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     38   49  113     24   34   41   49   54   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     38   49  113     24   34   37   44   53   59   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     38   49  113     24   34   37   39   41   51   63   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     38   49  113     23   34   37   39   41   51   63   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     38   49  113     18   34   37   39   41   51   63   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     38   49  113      3   25   37   39   41   51   63   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     38   56  113     24   34   37   39   41   44   57   68   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     38   56  113     24   34   37   39   41   51   63   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     38   56  113     24   34   41   46   53   60   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     38   56  113     24   35   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     38   56  113      6   34   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     38   56  113     24   34   37   39   51   60   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     38   56  113     24   34   37   44   53   60   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     38   56  113     24   34   37   39   47   59   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     38   56  113     24   34   40   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     43   56  113     10   34   39   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     43   56  113     12   33   43   49   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     43   56  113     14   34   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     43   56  113      5   34   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     43   56  113     17   35   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     43   56  113     17   34   44   50   55   61   67   73   81   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     43   56  113     17   34   44   50   55   61   67   73   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     43   56  113     17   35   44   50   55   61   67   74   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     43   56  113     17   35   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     43   56  113     22   35   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     43   56  113     22   35   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     43   56  113     22   35   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     43   56  113     22   35   44   50   55   61   67   73   83   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     43   56  113     22   35   44   50   55   61   67   73   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     43   56  113     22   35   44   50   55   61   67   73   80   92  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     43   56  113     22   35   44   50   55   61   67   73   83   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     43   56  113     22   35   44   50   55   61   67   73   79   87   99  106  109  111  112  112  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     43   56  113     19   35   44   50   55   61   67   73   79   90  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     43   56  113     16   28   44   50   55   59   67   73   79   87   97  105  109  111  112  112  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     43   56  113      4   11   36   45   51   57   63   66   73   78   87   89   99  107  111  112  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     43   56  113     12   35   44   50   55   61   67   73   79   87   97  105  109  111  112  112  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     43   56  113     12   34   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     43   56  113     14   33   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     43   56  113     17   35   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     43   56  113     22   35   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     43   56  113     22   35   44   50   55   61   67   73   82   92  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     43   56  113     22   35   44   50   55   61   67   73   83   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     43   56  113     22   35   44   50   55   61   67   73   80   90  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     43   56  113     22   35   44   50   55   61   67   73   83   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     43   56  113     22   35   44   50   55   61   67   73   82   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     43   56  113     19   35   44   50   55   61   67   73   82   92  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     43   56  113     22   35   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     43   56  113     22   35   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     43   56  113     22   35   44   50   55   61   67   73   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     43   56  113     22   35   44   50   55   61   67   73   84   93  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     43   56  113     22   35   44   50   55   61   67   73   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     43   56  113     22   35   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     43   56  113     22   35   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     43   56  113     22   35   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     43   56  113     12   35   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     43   56  113      5   34   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     43   56  113     17   35   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     43   56  113     10   32   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     43   56  113     10   29   43   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     42   56  113     20   28   40   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     37   56  113      8   22   39   50   55   61   67   73   82   92  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     37   56  113      8   22   39   50   55   61   67   73   82   92  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     37   56  113      5   28   35   39   52   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     37   56  113     20   28   35   36   43   60   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     37   52  113     20   28   35   36   41   56   66   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     37   49  113     20   28   35   36   41   51   63   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     37   41  113     20   28   35   36   41   51   63   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     37   41  113     20   28   35   36   41   51   63   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     37   41  113     20   28   35   36   43   56   65   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     37   41  113     20   28   35   39   53   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     37   41  113     20   28   37   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     37   41  113     20   35   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     37   41  113     22   35   44   50   55   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     37   41  113     20   28   35   44   50   59   64   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     37   41  113     11   28   35   36   37   41   47   56   81   89   99  106  109  111  112  112  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     37   41  113     10   21   35   36   37   40   43   56   61   89   99  106  109  111  112  112  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     37   41  113     11   21   35   36   37   40   61   76   84   93  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     37   41  113     20   28   35   36   47   59   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     37   41  113     20   28   35   36   50   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     37   41  113     20   28   35   39   53   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     37   41  113     20   28   35   42   53   61   67   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     37   41  113     20   28   35   36   43   56   65   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     37   41  113     20   28   35   36   41   52   60   71   83   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     37   41  113      3   28   35   36   38   48   59   69   79   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     37   41  113      8   28   35   36   37   40   43   53   69   81   92   99  107  111  112  112  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     37   41  113     20   28   35   36   37   49   59   69   78   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     37   41  113     20   28   35   36   37   40   52   69   78   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     37   41  113     20   28   35   36   37   40   48   61   78   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     37   41  113     20   28   35   36   37   40   61   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     37   41  113     20   28   35   36   37   51   63   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     37   41  113     20   28   35   36   37   51   63   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     37   41  113     20   28   35   36   37   47   62   76   84   94  100  106  109  111  112  112  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     37   41  113      3   28   35   36   37   39   43   45   51   63   89   99  109  111  112  112  113  113  113  113 
LCS_AVERAGE  LCS_A:  60.00  (  35.12   44.87  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     24     35     44     50     55     61     67     76     84     94    100    106    109    111    112    112    113    113    113    113 
GDT PERCENT_AT  21.24  30.97  38.94  44.25  48.67  53.98  59.29  67.26  74.34  83.19  88.50  93.81  96.46  98.23  99.12  99.12 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.57   0.82   1.11   1.34   1.80   2.10   2.76   3.00   3.30   3.46   3.64   3.76   3.84   3.89   3.89   3.97   3.97   3.97   3.97
GDT RMS_ALL_AT  12.11   6.60   6.50   6.17   5.95   5.56   5.19   4.13   4.07   4.04   4.00   4.00   3.98   3.98   3.97   3.97   3.97   3.97   3.97   3.97

# Checking swapping
#   possible swapping detected:  E     7_A      E     7_A
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  E    40_A      E    40_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_A      E     7_A     3.584     0    0.044   0.563     4.646   45.000   42.116
LGA    C     8_A      C     8_A     3.086     0    0.025   0.156     3.697   46.667   50.159
LGA    A     9_A      A     9_A     4.302     0    0.150   0.150     5.609   33.333   34.095
LGA    S    10_A      S    10_A     5.132     0    0.643   0.826     6.812   32.976   27.778
LGA    N    11_A      N    11_A     3.051     0    0.300   1.360     8.541   51.905   33.214
LGA    P    12_A      P    12_A     1.951     0    0.043   0.085     2.199   72.976   72.925
LGA    C    13_A      C    13_A     1.251     0    0.050   0.787     3.935   77.143   72.222
LGA    L    14_A      L    14_A     1.819     0    0.035   0.173     2.148   70.952   70.893
LGA    N    15_A      N    15_A     2.989     0    0.032   1.112     4.511   53.571   50.357
LGA    Q    16_A      Q    16_A     3.345     0    0.067   0.673     4.527   48.333   44.974
LGA    G    17_A      G    17_A     2.495     0    0.057   0.057     2.574   60.952   60.952
LGA    T    18_A      T    18_A     2.541     0    0.047   1.126     2.999   62.976   60.476
LGA    C    19_A      C    19_A     1.617     0    0.032   0.670     3.240   72.857   69.048
LGA    I    20_A      I    20_A     1.177     0    0.055   1.312     4.247   83.690   73.988
LGA    D    21_A      D    21_A     1.389     0    0.077   0.111     2.115   81.429   76.131
LGA    D    22_A      D    22_A     1.200     0    0.084   0.146     2.696   71.190   77.440
LGA    V    23_A      V    23_A     3.149     0    0.619   0.951     4.240   53.810   52.449
LGA    A    24_A      A    24_A     7.223     0    0.521   0.537     8.566   21.429   17.714
LGA    G    25_A      G    25_A     3.612     0    0.046   0.046     5.296   39.167   39.167
LGA    Y    26_A      Y    26_A     1.193     0    0.062   0.262     1.858   83.810   76.508
LGA    K    27_A      K    27_A     0.207     0    0.055   0.980     4.070  100.000   80.688
LGA    C    28_A      C    28_A     0.836     0    0.017   0.839     3.531   85.952   79.603
LGA    N    29_A      N    29_A     2.195     0    0.117   1.095     4.022   66.786   62.381
LGA    C    30_A      C    30_A     2.439     0    0.033   0.182     3.608   55.714   62.857
LGA    L    31_A      L    31_A     3.625     0    0.203   0.286     4.689   45.000   40.417
LGA    L    32_A      L    32_A     3.104     0    0.246   1.091     6.889   36.190   45.774
LGA    P    33_A      P    33_A     4.510     0    0.363   0.489     6.955   42.738   32.517
LGA    Y    34_A      Y    34_A     3.519     0    0.088   0.130     4.284   43.452   45.675
LGA    T    35_A      T    35_A     3.056     0    0.063   0.081     3.935   59.405   52.517
LGA    G    36_A      G    36_A     2.233     0    0.084   0.084     2.620   69.048   69.048
LGA    A    37_A      A    37_A     1.196     0    0.036   0.043     1.825   86.190   83.524
LGA    T    38_A      T    38_A     0.330     0    0.177   0.993     2.696   90.595   83.469
LGA    C    39_A      C    39_A     1.763     0    0.027   0.187     3.712   77.143   68.175
LGA    E    40_A      E    40_A     0.747     0    0.131   1.055     3.199   90.476   77.407
LGA    V    41_A      V    41_A     2.063     0    0.056   0.114     2.410   66.786   65.918
LGA    V    42_A      V    42_A     2.637     0    0.085   0.098     3.227   57.262   57.279
LGA    L    43_A      L    43_A     3.386     0    0.047   0.172     3.949   51.786   48.393
LGA    A    44_A      A    44_A     3.391     0    0.221   0.231     3.568   46.667   46.000
LGA    P    45_A      P    45_A     2.241     0    0.046   0.310     2.889   59.048   61.565
LGA    C    46_A      C    46_A     4.086     0    0.089   0.154     5.350   34.524   31.746
LGA    A    47_A      A    47_A     5.972     0    0.036   0.041     7.008   20.000   19.429
LGA    P    48_A      P    48_A     5.543     0    0.044   0.239     5.833   23.810   28.707
LGA    S    49_A      S    49_A     5.027     0    0.079   0.732     8.682   31.667   24.444
LGA    P    50_A      P    50_A     2.354     0    0.040   0.043     3.270   67.262   68.639
LGA    C    51_A      C    51_A     1.934     0    0.123   0.178     3.099   64.881   61.111
LGA    R    52_A      R    52_A     2.506     0    0.022   1.101     7.015   59.048   44.286
LGA    N    53_A      N    53_A     3.349     0    0.024   0.093     4.305   43.571   54.226
LGA    G    54_A      G    54_A     5.844     0    0.085   0.085     6.379   22.857   22.857
LGA    G    55_A      G    55_A     5.052     0    0.091   0.091     5.649   25.119   25.119
LGA    E    56_A      E    56_A     6.850     0    0.101   0.653     9.883   16.190    8.254
LGA    C    57_A      C    57_A     5.272     0    0.043   0.684     7.238   18.690   22.222
LGA    R    58_A      R    58_A     7.374     0    0.111   0.781    14.985   13.452    5.584
LGA    Q    59_A      Q    59_A     6.816     0    0.054   0.896     8.237    9.524   12.116
LGA    S    60_A      S    60_A     7.718     0    0.135   0.642     8.508    7.619   10.317
LGA    E    61_A      E    61_A    10.973     0    0.134   0.166    16.551    0.119    0.053
LGA    D    62_A      D    62_A     8.405     0    0.192   1.156    11.920    9.167    4.940
LGA    Y    63_A      Y    63_A     4.295     0    0.659   0.541     9.886   34.762   22.540
LGA    E    64_A      E    64_A     3.922     0    0.196   1.236     9.099   43.333   25.820
LGA    S    65_A      S    65_A     3.642     0    0.073   0.692     4.620   43.333   42.460
LGA    F    66_A      F    66_A     3.911     0    0.045   0.104     4.875   37.381   57.835
LGA    S    67_A      S    67_A     5.769     0    0.099   0.580     7.289   25.000   21.190
LGA    C    68_A      C    68_A     4.807     0    0.044   0.049     5.942   25.119   33.492
LGA    V    69_A      V    69_A     6.789     0    0.117   1.020     9.941   16.190   10.748
LGA    C    70_A      C    70_A     5.444     0    0.067   0.082     7.092   17.619   23.175
LGA    P    71_A      P    71_A     6.143     0    0.090   0.101     6.143   21.548   23.605
LGA    T    72_A      T    72_A     6.064     0    0.073   1.073     8.488   22.976   17.279
LGA    G    73_A      G    73_A     4.215     0    0.052   0.052     4.952   40.476   40.476
LGA    W    74_A      W    74_A     3.179     0    0.022   1.105     5.150   42.024   52.313
LGA    Q    75_A      Q    75_A     4.566     0    0.024   1.019     8.989   38.810   27.249
LGA    G    76_A      G    76_A     4.772     0    0.069   0.069     4.943   34.286   34.286
LGA    Q    77_A      Q    77_A     4.513     0    0.065   0.704     5.562   40.714   33.862
LGA    T    78_A      T    78_A     1.691     0    0.071   0.083     2.736   71.071   73.061
LGA    C    79_A      C    79_A     2.046     0    0.035   0.044     3.196   70.952   66.429
LGA    E    80_A      E    80_A     2.564     0    0.179   1.178     8.318   59.048   37.090
LGA    V    81_A      V    81_A     3.071     0    0.051   1.086     6.213   53.571   44.558
LGA    D    82_A      D    82_A     2.817     0    0.116   0.684     4.220   53.571   51.964
LGA    I    83_A      I    83_A     3.911     0    0.025   0.628     4.478   45.000   41.071
LGA    N    84_A      N    84_A     3.964     0    0.056   0.099     4.905   37.262   37.976
LGA    E    85_A      E    85_A     4.090     0    0.063   0.245     4.579   37.262   43.651
LGA    C    86_A      C    86_A     4.071     0    0.044   0.063     5.263   32.976   38.730
LGA    V    87_A      V    87_A     6.174     0    0.034   0.104     7.457   18.452   15.782
LGA    L    88_A      L    88_A     6.375     0    0.543   1.189    10.834   25.714   14.226
LGA    S    89_A      S    89_A     2.947     0    0.388   0.701     4.831   54.048   47.460
LGA    P    90_A      P    90_A     2.166     0    0.130   0.133     2.473   70.952   70.612
LGA    C    91_A      C    91_A     0.676     0    0.061   0.178     1.130   90.476   88.968
LGA    R    92_A      R    92_A     1.299     0    0.036   0.591     2.703   77.143   73.074
LGA    H    93_A      H    93_A     3.056     0    0.054   0.278     5.037   52.024   41.476
LGA    G    94_A      G    94_A     3.531     0    0.099   0.099     3.531   48.333   48.333
LGA    A    95_A      A    95_A     2.367     0    0.092   0.094     2.605   62.857   63.238
LGA    S    96_A      S    96_A     2.317     0    0.089   0.145     2.822   70.952   66.349
LGA    C    97_A      C    97_A     1.641     0    0.042   0.079     2.516   68.929   67.540
LGA    Q    98_A      Q    98_A     1.889     0    0.045   1.061     3.250   72.857   69.418
LGA    N    99_A      N    99_A     2.801     0    0.091   0.164     4.341   59.048   51.250
LGA    T   100_A      T   100_A     3.132     0    0.088   1.135     4.834   48.452   50.748
LGA    H   101_A      H   101_A     4.730     0    0.080   1.125     5.295   32.857   35.619
LGA    G   102_A      G   102_A     4.960     0    0.188   0.188     4.960   32.857   32.857
LGA    G   103_A      G   103_A     3.645     0    0.078   0.078     4.040   45.119   45.119
LGA    Y   104_A      Y   104_A     2.195     0    0.034   0.124     3.580   66.905   59.960
LGA    R   105_A      R   105_A     0.700     0    0.072   0.780     2.734   92.976   90.087
LGA    C   106_A      C   106_A     0.840     0    0.075   0.624     3.140   79.643   75.000
LGA    H   107_A      H   107_A     2.495     0    0.060   1.182     6.937   62.976   45.905
LGA    C   108_A      C   108_A     3.415     0    0.067   0.131     4.382   45.119   45.635
LGA    Q   109_A      Q   109_A     4.489     0    0.075   1.244     4.976   35.833   37.989
LGA    A   110_A      A   110_A     6.044     0    0.629   0.581     6.591   21.548   19.905
LGA    G   111_A      G   111_A     7.448     0    0.226   0.226     7.448   11.667   11.667
LGA    Y   112_A      Y   112_A     5.393     0    0.080   0.311     6.119   23.929   26.071
LGA    S   113_A      S   113_A     5.322     0    0.029   0.618     7.977   27.500   23.095
LGA    G   114_A      G   114_A     4.968     0    0.047   0.047     5.061   34.524   34.524
LGA    R   115_A      R   115_A     3.917     0    0.064   1.316    10.088   45.119   27.576
LGA    N   116_A      N   116_A     2.887     0    0.089   0.127     3.472   57.262   54.524
LGA    C   117_A      C   117_A     3.391     0    0.037   0.087     3.391   50.000   50.000
LGA    E   118_A      E   118_A     3.704     0    0.092   0.904     4.871   37.381   37.989
LGA    T   119_A      T   119_A     6.712     0    0.208   0.296     9.428   16.548   11.020

# 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):     3.972          3.941                  4.434           48.196   45.520

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0     76    2.76    60.398    59.220     2.657

LGA_LOCAL      RMSD:   2.761  Number of atoms:   76  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.131  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   3.972  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.773441 * X  +   0.254675 * Y  +  -0.580456 * Z  +  56.238430
  Y_new =  -0.141079 * X  +   0.961931 * Y  +   0.234064 * Z  +  24.273460
  Z_new =   0.617969 * X  +  -0.099145 * Y  +   0.779926 * Z  +  24.746706 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.180421 -0.666157 -0.126442   [DEG:  -10.3373  -38.1680   -7.2446 ]
ZXZ: -1.954094  0.676249  1.729877   [DEG: -111.9613   38.7462   99.1146 ]
 
# END of job
