
#######################################################
#                                                     #
#                        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  130 (  978),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  949),  selected  125 , 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:   122       8_A - 129_A       4.85     8.62
  LCS_AVERAGE:     95.62

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      12_A - 129_A       1.71     8.98
  LCS_AVERAGE:     89.52

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    91      32_A - 122_A       0.99     9.29
  LCS_AVERAGE:     61.08

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  125
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     L     5_A     L     5_A      8    9   19      4    5    9    9    9   10   11   12   14   16   18   18   19   20   21   23   25   26   26   27 
LCS_GDT     K     6_A     K     6_A      8    9   19      4    5    9    9    9   10   11   12   14   16   18   18   19   20   22   23   25   26   26   27 
LCS_GDT     C     7_A     C     7_A      8    9   19      4    5    9    9    9   10   11   12   14   16   18   18   19   21   22   23   25   26   28   33 
LCS_GDT     T     8_A     T     8_A      8    9  122      4    5    9    9    9   10   11   12   14   16   18   18   20   21   23   24   27   30   36   39 
LCS_GDT     F     9_A     F     9_A      8    9  122      3    5    9    9    9   10   11   12   14   16   18   18   20   26   27   30   30   45   51   60 
LCS_GDT     S    10_A     S    10_A      8    9  122      3    5    9    9    9   10   11   12   14   16   19   28   33   42   51   59   65   74   83   89 
LCS_GDT     A    11_A     A    11_A      8    9  122      3    5    9    9    9   10   11   12   14   18   25   44   56   66   74   86   93  100  107  116 
LCS_GDT     P    12_A     P    12_A      8  118  122      3    5    9   10   27   40   54   68   83   94  111  117  118  118  118  118  118  118  118  118 
LCS_GDT     S    13_A     S    13_A     19  118  122      6   17   33   53   75   95  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     H    14_A     H    14_A     25  118  122      7   22   35   60   86  108  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     S    15_A     S    15_A     25  118  122      7   28   55   90  110  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     T    16_A     T    16_A     25  118  122      7   28   56   90  111  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     S    17_A     S    17_A     30  118  122      7   40   78  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    18_A     L    18_A     43  118  122     13   45   85  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    19_A     L    19_A     48  118  122     12   55   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     Q    20_A     Q    20_A     49  118  122     13   58   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     G    21_A     G    21_A     49  118  122     24   65   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    22_A     L    22_A     49  118  122     29   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    23_A     A    23_A     49  118  122     29   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     T    24_A     T    24_A     49  118  122     31   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    25_A     L    25_A     49  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     R    26_A     R    26_A     49  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    27_A     A    27_A     49  118  122     24   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     Q    28_A     Q    28_A     49  118  122     19   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     G    29_A     G    29_A     49  118  122     10   32   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     Q    30_A     Q    30_A     49  118  122     21   63   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    31_A     L    31_A     49  118  122      4   16   69  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    32_A     L    32_A     91  118  122     20   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     D    33_A     D    33_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     V    34_A     V    34_A     91  118  122     30   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     V    35_A     V    35_A     91  118  122     26   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    36_A     L    36_A     91  118  122     27   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     T    37_A     T    37_A     91  118  122     31   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     I    38_A     I    38_A     91  118  122      5   57   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     N    39_A     N    39_A     91  118  122      4   24   92  107  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     R    40_A     R    40_A     91  118  122      3    5   85  107  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     E    41_A     E    41_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    42_A     A    42_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     F    43_A     F    43_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     P    44_A     P    44_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    45_A     A    45_A     91  118  122     33   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     H    46_A     H    46_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     K    47_A     K    47_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     V    48_A     V    48_A     91  118  122     30   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     V    49_A     V    49_A     91  118  122     30   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    50_A     L    50_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    51_A     A    51_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    52_A     A    52_A     91  118  122     25   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     C    53_A     C    53_A     91  118  122     21   54   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     S    54_A     S    54_A     91  118  122     21   54   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     D    55_A     D    55_A     91  118  122     21   54   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     Y    56_A     Y    56_A     91  118  122     21   66   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     F    57_A     F    57_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     R    58_A     R    58_A     91  118  122     30   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    59_A     A    59_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     M    60_A     M    60_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     F    61_A     F    61_A     91  118  122     21   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     T    62_A     T    62_A     91  118  122     13   45   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     G    63_A     G    63_A     91  118  122     32   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     G    64_A     G    64_A     91  118  122     21   65   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     M    65_A     M    65_A     91  118  122     21   66   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     R    66_A     R    66_A     91  118  122     12   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     E    67_A     E    67_A     91  118  122      5   66   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    68_A     A    68_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     S    69_A     S    69_A     91  118  122      3   66   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     Q    70_A     Q    70_A     91  118  122      5   65   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     D    71_A     D    71_A     91  118  122      5   41   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     V    72_A     V    72_A     91  118  122     13   45   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     I    73_A     I    73_A     91  118  122      9   41   80  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     E    74_A     E    74_A     91  118  122     10   45   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    75_A     L    75_A     91  118  122     11   45   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     K    76_A     K    76_A     91  118  122     13   55   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     G    77_A     G    77_A     91  118  122      4   24   41  105  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     V    78_A     V    78_A     91  118  122     10   55   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     S    79_A     S    79_A     91  118  122     13   56   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    80_A     A    80_A     91  118  122     19   63   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     R    81_A     R    81_A     91  118  122     25   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     G    82_A     G    82_A     91  118  122     29   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    83_A     L    83_A     91  118  122     29   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     R    84_A     R    84_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     H    85_A     H    85_A     91  118  122     32   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     I    86_A     I    86_A     91  118  122     33   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     I    87_A     I    87_A     91  118  122     29   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     D    88_A     D    88_A     91  118  122     30   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     F    89_A     F    89_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    90_A     A    90_A     91  118  122     13   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     Y    91_A     Y    91_A     91  118  122      7   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     S    92_A     S    92_A     91  118  122      6   66   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    93_A     A    93_A     91  118  122     14   59   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     E    94_A     E    94_A     91  118  122      6   59   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     V    95_A     V    95_A     91  118  122     24   66   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     T    96_A     T    96_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    97_A     L    97_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     D    98_A     D    98_A     91  118  122      6   23   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    99_A     L    99_A     91  118  122     11   59   95  107  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     D   100_A     D   100_A     91  118  122     18   65   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     C   101_A     C   101_A     91  118  122     13   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     V   102_A     V   102_A     91  118  122     30   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     Q   103_A     Q   103_A     91  118  122     18   66   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     D   104_A     D   104_A     91  118  122     14   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     V   105_A     V   105_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L   106_A     L   106_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     G   107_A     G   107_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A   108_A     A   108_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A   109_A     A   109_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     V   110_A     V   110_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     F   111_A     F   111_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L   112_A     L   112_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     Q   113_A     Q   113_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     M   114_A     M   114_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L   115_A     L   115_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     P   116_A     P   116_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     V   117_A     V   117_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     V   118_A     V   118_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     E   119_A     E   119_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L   120_A     L   120_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     C   121_A     C   121_A     91  118  122     34   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     E   122_A     E   122_A     91  118  122     24   67   94  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     E   123_A     E   123_A     83  118  122     18   57   92  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     F   124_A     F   124_A     53  118  122     18   63   94  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L   125_A     L   125_A     53  118  122      9   56   92  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     K   126_A     K   126_A     53  118  122      9   39   82  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A   127_A     A   127_A     51  118  122      3    5   16   64   80  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A   128_A     A   128_A     51  118  122     22   67   95  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     M   129_A     M   129_A     51  118  122      3   54   83  108  112  115  115  116  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_AVERAGE  LCS_A:  82.07  (  61.08   89.52   95.62 )

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     34     67     95    108    112    115    115    116    117    117    117    117    118    118    118    118    118    118    118    118 
GDT PERCENT_AT  27.20  53.60  76.00  86.40  89.60  92.00  92.00  92.80  93.60  93.60  93.60  93.60  94.40  94.40  94.40  94.40  94.40  94.40  94.40  94.40
GDT RMS_LOCAL    0.36   0.60   0.90   1.09   1.15   1.28   1.28   1.36   1.46   1.46   1.46   1.46   1.71   1.71   1.71   1.71   1.71   1.71   1.71   1.71
GDT RMS_ALL_AT   9.31   9.20   9.25   9.13   9.16   9.10   9.10   9.07   9.03   9.03   9.03   9.03   8.98   8.98   8.98   8.98   8.98   8.98   8.98   8.98

# Checking swapping
#   possible swapping detected:  F     9_A      F     9_A
#   possible swapping detected:  F    57_A      F    57_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  D    98_A      D    98_A
#   possible swapping detected:  F   111_A      F   111_A
#   possible swapping detected:  E   123_A      E   123_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     5_A      L     5_A    54.718     0    0.202   0.300    57.331    0.000    0.000
LGA    K     6_A      K     6_A    48.929     0    0.056   1.048    51.924    0.000    0.000
LGA    C     7_A      C     7_A    41.660     0    0.048   0.191    44.198    0.000    0.000
LGA    T     8_A      T     8_A    34.851     0    0.078   1.075    37.228    0.000    0.000
LGA    F     9_A      F     9_A    28.611     0    0.104   1.271    30.964    0.000    0.000
LGA    S    10_A      S    10_A    22.173     0    0.709   0.600    24.330    0.000    0.000
LGA    A    11_A      A    11_A    16.589     0    0.279   0.364    18.654    0.000    0.000
LGA    P    12_A      P    12_A     9.926     0    0.666   0.633    13.405    3.810    2.381
LGA    S    13_A      S    13_A     6.170     0    0.249   0.292     7.828   21.905   19.127
LGA    H    14_A      H    14_A     5.019     0    0.064   0.169     5.856   32.024   26.619
LGA    S    15_A      S    15_A     3.563     0    0.049   0.656     4.172   48.810   49.286
LGA    T    16_A      T    16_A     3.231     0    0.032   0.028     4.351   53.810   48.435
LGA    S    17_A      S    17_A     2.328     0    0.043   0.045     3.024   66.905   62.460
LGA    L    18_A      L    18_A     1.780     0    0.027   1.386     4.974   75.119   58.929
LGA    L    19_A      L    19_A     1.364     0    0.073   1.376     2.893   79.286   76.369
LGA    Q    20_A      Q    20_A     1.326     0    0.023   0.719     2.992   83.690   75.079
LGA    G    21_A      G    21_A     0.675     0    0.079   0.079     0.926   90.476   90.476
LGA    L    22_A      L    22_A     0.535     0    0.024   1.450     3.349   95.238   79.524
LGA    A    23_A      A    23_A     0.502     0    0.018   0.021     0.691   92.857   92.381
LGA    T    24_A      T    24_A     0.539     0    0.098   1.142     3.110   92.857   82.381
LGA    L    25_A      L    25_A     0.446     0    0.019   0.153     0.819   95.238   96.429
LGA    R    26_A      R    26_A     0.647     0    0.036   1.158     4.596   90.595   76.797
LGA    A    27_A      A    27_A     1.128     0    0.042   0.053     1.671   81.548   81.524
LGA    Q    28_A      Q    28_A     1.281     0    0.145   0.865     2.906   81.429   76.825
LGA    G    29_A      G    29_A     1.880     0    0.114   0.114     2.396   70.833   70.833
LGA    Q    30_A      Q    30_A     1.457     0    0.633   1.438     6.388   71.429   57.196
LGA    L    31_A      L    31_A     2.028     0    0.056   0.921     3.669   70.833   62.321
LGA    L    32_A      L    32_A     0.777     0    0.038   0.264     1.430   88.214   85.952
LGA    D    33_A      D    33_A     0.264     0    0.039   0.056     0.516  100.000   98.810
LGA    V    34_A      V    34_A     0.542     0    0.008   0.098     0.932   92.857   91.837
LGA    V    35_A      V    35_A     0.557     0    0.062   0.077     0.858   92.857   91.837
LGA    L    36_A      L    36_A     0.511     0    0.018   0.137     1.065   97.619   91.786
LGA    T    37_A      T    37_A     0.372     0    0.080   1.126     2.631   95.238   85.918
LGA    I    38_A      I    38_A     1.487     0    0.039   0.536     3.151   79.286   72.202
LGA    N    39_A      N    39_A     2.155     0    0.609   0.590     4.006   66.786   57.798
LGA    R    40_A      R    40_A     2.189     0    0.107   1.201     3.968   66.905   63.896
LGA    E    41_A      E    41_A     0.805     0    0.039   0.126     1.841   88.214   81.587
LGA    A    42_A      A    42_A     0.131     0    0.022   0.029     0.758   97.619   96.190
LGA    F    43_A      F    43_A     0.634     0    0.063   0.078     1.343   97.619   88.961
LGA    P    44_A      P    44_A     0.744     0    0.038   0.362     2.039   90.476   85.510
LGA    A    45_A      A    45_A     0.628     0    0.044   0.057     0.874   90.476   90.476
LGA    H    46_A      H    46_A     0.353     0    0.023   1.035     5.365   97.619   70.095
LGA    K    47_A      K    47_A     0.536     0    0.015   0.068     1.471   95.238   89.577
LGA    V    48_A      V    48_A     0.215     0    0.044   0.955     1.915  100.000   90.884
LGA    V    49_A      V    49_A     0.437     0    0.026   0.065     0.773   95.238   94.558
LGA    L    50_A      L    50_A     0.702     0    0.039   0.117     1.764   90.476   84.940
LGA    A    51_A      A    51_A     0.228     0    0.079   0.081     0.836   97.619   98.095
LGA    A    52_A      A    52_A     0.665     0    0.131   0.144     1.254   90.595   90.571
LGA    C    53_A      C    53_A     1.283     0    0.092   0.117     1.806   83.690   80.079
LGA    S    54_A      S    54_A     1.346     0    0.082   0.091     1.584   81.429   80.000
LGA    D    55_A      D    55_A     1.388     0    0.025   0.051     1.722   81.429   77.143
LGA    Y    56_A      Y    56_A     1.242     0    0.031   0.114     1.836   85.952   77.222
LGA    F    57_A      F    57_A     0.770     0    0.040   0.109     1.757   90.476   83.203
LGA    R    58_A      R    58_A     0.432     0    0.024   1.361     7.221   97.619   68.961
LGA    A    59_A      A    59_A     0.437     0    0.028   0.032     0.669  100.000   98.095
LGA    M    60_A      M    60_A     0.626     0    0.066   0.840     3.197   92.857   81.310
LGA    F    61_A      F    61_A     1.001     0    0.057   0.140     1.563   81.548   80.693
LGA    T    62_A      T    62_A     1.477     0    0.176   1.180     4.393   88.214   76.599
LGA    G    63_A      G    63_A     0.733     0    0.063   0.063     0.986   90.476   90.476
LGA    G    64_A      G    64_A     0.871     0    0.097   0.097     1.803   81.667   81.667
LGA    M    65_A      M    65_A     1.018     0    0.039   0.146     1.094   85.952   84.821
LGA    R    66_A      R    66_A     1.096     0    0.013   1.499    10.342   81.429   45.584
LGA    E    67_A      E    67_A     1.385     0    0.058   1.039     3.161   79.286   73.228
LGA    A    68_A      A    68_A     1.081     0    0.014   0.017     1.587   81.548   83.333
LGA    S    69_A      S    69_A     1.625     0    0.017   0.062     1.971   75.000   74.286
LGA    Q    70_A      Q    70_A     1.831     0    0.653   0.957     4.094   65.476   62.963
LGA    D    71_A      D    71_A     1.838     0    0.112   0.297     2.683   75.000   69.940
LGA    V    72_A      V    72_A     1.700     0    0.032   0.050     2.245   70.833   71.701
LGA    I    73_A      I    73_A     1.904     0    0.053   0.056     2.170   72.857   69.821
LGA    E    74_A      E    74_A     1.663     0    0.010   0.118     1.996   72.857   74.762
LGA    L    75_A      L    75_A     1.750     0    0.058   0.127     1.847   72.857   73.929
LGA    K    76_A      K    76_A     1.822     0    0.656   0.559     3.491   67.143   71.270
LGA    G    77_A      G    77_A     2.545     0    0.119   0.119     2.600   60.952   60.952
LGA    V    78_A      V    78_A     1.801     0    0.056   0.079     2.349   77.143   74.150
LGA    S    79_A      S    79_A     1.469     0    0.119   0.517     2.108   79.286   78.730
LGA    A    80_A      A    80_A     1.373     0    0.059   0.069     1.582   81.429   79.714
LGA    R    81_A      R    81_A     1.073     0    0.017   1.055     6.921   85.952   65.238
LGA    G    82_A      G    82_A     0.725     0    0.035   0.035     0.845   90.476   90.476
LGA    L    83_A      L    83_A     0.757     0    0.029   1.239     3.015   90.476   81.250
LGA    R    84_A      R    84_A     0.682     0    0.046   1.361     8.362   90.476   54.762
LGA    H    85_A      H    85_A     0.523     0    0.038   0.291     1.195   92.857   89.619
LGA    I    86_A      I    86_A     0.457     0    0.030   0.134     0.633  100.000   95.238
LGA    I    87_A      I    87_A     0.681     0    0.019   0.698     1.893   90.476   88.274
LGA    D    88_A      D    88_A     0.526     0    0.049   0.136     1.011   90.476   89.345
LGA    F    89_A      F    89_A     0.588     0    0.050   0.223     0.989   90.476   93.939
LGA    A    90_A      A    90_A     0.844     0    0.019   0.023     1.369   85.952   86.857
LGA    Y    91_A      Y    91_A     1.253     0    0.115   0.232     2.000   79.286   78.611
LGA    S    92_A      S    92_A     1.578     0    0.023   0.045     1.757   75.000   74.286
LGA    A    93_A      A    93_A     1.480     0    0.016   0.030     1.698   81.429   79.714
LGA    E    94_A      E    94_A     1.761     0    0.054   0.170     3.201   75.000   67.725
LGA    V    95_A      V    95_A     1.465     0    0.039   0.105     1.847   79.286   77.755
LGA    T    96_A      T    96_A     1.075     0    0.036   0.055     1.232   81.429   82.721
LGA    L    97_A      L    97_A     1.102     0    0.072   0.115     1.141   83.690   85.952
LGA    D    98_A      D    98_A     1.671     0    0.210   0.925     3.880   79.286   69.345
LGA    L    99_A      L    99_A     2.034     0    0.124   1.044     2.313   68.810   72.024
LGA    D   100_A      D   100_A     1.344     0    0.105   0.937     4.968   81.429   64.167
LGA    C   101_A      C   101_A     0.743     0    0.055   0.132     0.857   90.476   90.476
LGA    V   102_A      V   102_A     0.840     0    0.027   1.014     3.393   85.952   78.435
LGA    Q   103_A      Q   103_A     1.371     0    0.042   0.846     2.116   83.690   77.725
LGA    D   104_A      D   104_A     0.898     0    0.024   0.061     1.706   90.595   85.000
LGA    V   105_A      V   105_A     0.346     0    0.017   0.048     0.506  100.000   98.639
LGA    L   106_A      L   106_A     0.770     0    0.040   0.937     2.722   90.476   84.048
LGA    G   107_A      G   107_A     0.499     0    0.068   0.068     0.611   95.238   95.238
LGA    A   108_A      A   108_A     0.432     0    0.048   0.050     0.492  100.000  100.000
LGA    A   109_A      A   109_A     0.597     0    0.013   0.014     0.765   90.476   90.476
LGA    V   110_A      V   110_A     0.792     0    0.017   0.032     0.926   90.476   90.476
LGA    F   111_A      F   111_A     0.826     0    0.024   0.434     1.687   90.476   83.983
LGA    L   112_A      L   112_A     0.512     0    0.039   0.076     0.703   90.476   91.667
LGA    Q   113_A      Q   113_A     0.555     0    0.029   0.133     1.077   90.476   89.471
LGA    M   114_A      M   114_A     0.584     0    0.047   0.713     2.297   90.476   87.321
LGA    L   115_A      L   115_A     0.292     0    0.040   1.430     3.882  100.000   80.476
LGA    P   116_A      P   116_A     0.623     0    0.022   0.044     0.852   92.857   91.837
LGA    V   117_A      V   117_A     0.409     0    0.018   0.066     0.475  100.000  100.000
LGA    V   118_A      V   118_A     0.681     0    0.031   0.059     0.707   90.476   90.476
LGA    E   119_A      E   119_A     0.740     0    0.029   0.437     2.075   90.476   85.608
LGA    L   120_A      L   120_A     0.501     0    0.022   0.136     0.591   92.857   94.048
LGA    C   121_A      C   121_A     0.472     0    0.015   0.059     0.739   95.238   93.651
LGA    E   122_A      E   122_A     1.114     0    0.059   0.801     2.665   83.690   78.783
LGA    E   123_A      E   123_A     1.308     0    0.016   0.810     3.699   79.286   65.767
LGA    F   124_A      F   124_A     1.124     0    0.034   0.265     1.323   81.429   84.719
LGA    L   125_A      L   125_A     1.370     0    0.115   0.191     2.405   75.119   78.274
LGA    K   126_A      K   126_A     1.809     0    0.514   1.340     9.947   67.262   42.222
LGA    A   127_A      A   127_A     3.571     0    0.580   0.555     6.223   59.405   50.952
LGA    A   128_A      A   128_A     0.802     0    0.140   0.143     1.609   81.548   81.524
LGA    M   129_A      M   129_A     2.227     0    0.134   0.671     3.688   63.333   58.571

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     949    949  100.00               125
SUMMARY(RMSD_GDC):     8.419          8.332                  8.650           78.309   73.749

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    116    1.36    81.800    87.207     7.953

LGA_LOCAL      RMSD:   1.359  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   9.066  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   8.419  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.261554 * X  +   0.559311 * Y  +  -0.786613 * Z  + -26.005116
  Y_new =  -0.936334 * X  +  -0.050752 * Y  +  -0.347423 * Z  +  -8.525198
  Z_new =  -0.234240 * X  +   0.827403 * Y  +   0.510428 * Z  + -31.158047 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.298401  0.236436  1.018041   [DEG:  -74.3929   13.5468   58.3294 ]
ZXZ: -1.154891  1.035114 -0.275883   [DEG:  -66.1704   59.3077  -15.8069 ]
 
# END of job
