
#######################################################
#                                                     #
#                        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       4.80     8.46
  LCS_AVERAGE:     95.62

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      12_A - 129_A       1.64     8.82
  LCS_AVERAGE:     89.52

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      19_A - 122_A       0.99     9.07
  LONGEST_CONTINUOUS_SEGMENT:   104      20_A - 123_A       0.99     9.07
  LONGEST_CONTINUOUS_SEGMENT:   104      21_A - 124_A       0.99     9.08
  LONGEST_CONTINUOUS_SEGMENT:   104      22_A - 125_A       1.00     9.08
  LCS_AVERAGE:     74.73

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      4    9   19      0    3    6    8    9   10   10   11   13   14   16   18   20   21   21   22   25   26   27   27 
LCS_GDT     K     6_A     K     6_A      7    9   19      3    3    7    8    9   10   10   11   13   14   16   18   20   21   21   22   25   26   27   27 
LCS_GDT     C     7_A     C     7_A      7    9   19      3    5    7    8    9   10   10   11   13   16   16   18   20   22   22   23   25   28   29   32 
LCS_GDT     T     8_A     T     8_A      7    9  122      3    5    7    8    9   10   10   11   13   16   16   18   20   22   22   25   28   33   33   42 
LCS_GDT     F     9_A     F     9_A      7    9  122      3    5    7    8    9   10   10   11   13   16   16   18   20   22   27   38   40   43   53   59 
LCS_GDT     S    10_A     S    10_A      7    9  122      3    4    7    8    9   10   10   11   13   19   20   25   32   43   54   60   68   75   82   90 
LCS_GDT     A    11_A     A    11_A      7    9  122      3    5    7    8    9   10   10   12   16   18   32   43   55   66   74   85   94  100  106  114 
LCS_GDT     P    12_A     P    12_A      7  118  122      3    5    7   10   26   48   51   69   82   95  112  117  118  118  118  118  118  118  118  118 
LCS_GDT     S    13_A     S    13_A     23  118  122      6   14   36   57   76   98  114  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     H    14_A     H    14_A     25  118  122      7   21   38   66   87  111  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     S    15_A     S    15_A     25  118  122      8   30   60   93  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     T    16_A     T    16_A     25  118  122      7   30   62   94  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     S    17_A     S    17_A     30  118  122      9   48   87  108  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    18_A     L    18_A     75  118  122     15   51   91  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    19_A     L    19_A    104  118  122     12   54   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     Q    20_A     Q    20_A    104  118  122     15   57   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     G    21_A     G    21_A    104  118  122     29   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    22_A     L    22_A    104  118  122     33   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    23_A     A    23_A    104  118  122     37   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     T    24_A     T    24_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    25_A     L    25_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     R    26_A     R    26_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    27_A     A    27_A    104  118  122     19   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     Q    28_A     Q    28_A    104  118  122     18   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     G    29_A     G    29_A    104  118  122      3   36   92  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     Q    30_A     Q    30_A    104  118  122     15   41   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    31_A     L    31_A    104  118  122      4   11   68  105  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    32_A     L    32_A    104  118  122     22   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     D    33_A     D    33_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     V    34_A     V    34_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     V    35_A     V    35_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    36_A     L    36_A    104  118  122     37   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     T    37_A     T    37_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     I    38_A     I    38_A    104  118  122     10   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     N    39_A     N    39_A    104  118  122      5    7   24   97  108  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     R    40_A     R    40_A    104  118  122      4   19   90  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     E    41_A     E    41_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    42_A     A    42_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     F    43_A     F    43_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     P    44_A     P    44_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    45_A     A    45_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     H    46_A     H    46_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     K    47_A     K    47_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     V    48_A     V    48_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     V    49_A     V    49_A    104  118  122     39   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    50_A     L    50_A    104  118  122     28   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    51_A     A    51_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    52_A     A    52_A    104  118  122     26   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     C    53_A     C    53_A    104  118  122     15   53   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     S    54_A     S    54_A    104  118  122     15   41   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     D    55_A     D    55_A    104  118  122     15   60   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     Y    56_A     Y    56_A    104  118  122     15   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     F    57_A     F    57_A    104  118  122     38   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     R    58_A     R    58_A    104  118  122     41   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    59_A     A    59_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     M    60_A     M    60_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     F    61_A     F    61_A    104  118  122     17   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     T    62_A     T    62_A    104  118  122     14   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     G    63_A     G    63_A    104  118  122      5   56   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     G    64_A     G    64_A    104  118  122      7   45   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     M    65_A     M    65_A    104  118  122     24   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     R    66_A     R    66_A    104  118  122     24   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     E    67_A     E    67_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    68_A     A    68_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     S    69_A     S    69_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     Q    70_A     Q    70_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     D    71_A     D    71_A    104  118  122     30   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     V    72_A     V    72_A    104  118  122     15   54   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     I    73_A     I    73_A    104  118  122     15   42   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     E    74_A     E    74_A    104  118  122     15   54   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    75_A     L    75_A    104  118  122     15   54   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     K    76_A     K    76_A    104  118  122     15   47   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     G    77_A     G    77_A    104  118  122      5    7   89  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     V    78_A     V    78_A    104  118  122     18   63   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     S    79_A     S    79_A    104  118  122     18   65   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    80_A     A    80_A    104  118  122     24   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     R    81_A     R    81_A    104  118  122     37   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     G    82_A     G    82_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    83_A     L    83_A    104  118  122     39   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     R    84_A     R    84_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     H    85_A     H    85_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     I    86_A     I    86_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     I    87_A     I    87_A    104  118  122     31   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     D    88_A     D    88_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     F    89_A     F    89_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    90_A     A    90_A    104  118  122     19   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     Y    91_A     Y    91_A    104  118  122      7   69   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     S    92_A     S    92_A    104  118  122      7   48   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    93_A     A    93_A    104  118  122      6   48   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     E    94_A     E    94_A    104  118  122      7   63   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     V    95_A     V    95_A    104  118  122     28   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     T    96_A     T    96_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    97_A     L    97_A    104  118  122      5   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     D    98_A     D    98_A    104  118  122     17   67   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    99_A     L    99_A    104  118  122     17   63   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     D   100_A     D   100_A    104  118  122     10   70   94  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     C   101_A     C   101_A    104  118  122     27   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     V   102_A     V   102_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     Q   103_A     Q   103_A    104  118  122     21   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     D   104_A     D   104_A    104  118  122     12   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     V   105_A     V   105_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L   106_A     L   106_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     G   107_A     G   107_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A   108_A     A   108_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A   109_A     A   109_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     V   110_A     V   110_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     F   111_A     F   111_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L   112_A     L   112_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     Q   113_A     Q   113_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     M   114_A     M   114_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L   115_A     L   115_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     P   116_A     P   116_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     V   117_A     V   117_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     V   118_A     V   118_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     E   119_A     E   119_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L   120_A     L   120_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     C   121_A     C   121_A    104  118  122     43   70   95  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     E   122_A     E   122_A    104  118  122     23   70   94  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     E   123_A     E   123_A    104  118  122     12   60   93  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     F   124_A     F   124_A    104  118  122     23   69   94  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     L   125_A     L   125_A    104  118  122     16   60   93  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     K   126_A     K   126_A     95  118  122     12   44   86  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A   127_A     A   127_A     87  118  122     12   44   88  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     A   128_A     A   128_A     55  118  122     12   44   89  109  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_GDT     M   129_A     M   129_A     55  118  122     12   22   68  101  112  114  115  117  117  117  117  117  118  118  118  118  118  118  118  118 
LCS_AVERAGE  LCS_A:  86.62  (  74.73   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     43     70     95    109    112    114    115    117    117    117    117    117    118    118    118    118    118    118    118    118 
GDT PERCENT_AT  34.40  56.00  76.00  87.20  89.60  91.20  92.00  93.60  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    0.37   0.57   0.86   1.03   1.10   1.16   1.21   1.39   1.39   1.39   1.39   1.39   1.64   1.64   1.64   1.64   1.64   1.64   1.64   1.64
GDT RMS_ALL_AT   9.08   9.03   9.06   9.00   8.97   8.96   8.94   8.87   8.87   8.87   8.87   8.87   8.82   8.82   8.82   8.82   8.82   8.82   8.82   8.82

# Checking swapping
#   possible swapping detected:  F     9_A      F     9_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  F    57_A      F    57_A
#   possible swapping detected:  F    61_A      F    61_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    52.632     0    0.194   0.278    55.176    0.000    0.000
LGA    K     6_A      K     6_A    48.084     0    0.680   1.098    52.529    0.000    0.000
LGA    C     7_A      C     7_A    41.252     0    0.135   0.662    43.719    0.000    0.000
LGA    T     8_A      T     8_A    34.495     0    0.098   1.093    36.803    0.000    0.000
LGA    F     9_A      F     9_A    28.283     0    0.098   1.261    30.639    0.000    0.000
LGA    S    10_A      S    10_A    21.894     0    0.702   0.594    24.026    0.000    0.000
LGA    A    11_A      A    11_A    16.350     0    0.280   0.367    18.392    0.000    0.000
LGA    P    12_A      P    12_A     9.651     0    0.670   0.638    13.203    5.238    3.401
LGA    S    13_A      S    13_A     5.844     0    0.169   0.718     8.392   26.548   22.063
LGA    H    14_A      H    14_A     4.719     0    0.074   0.178     5.632   37.738   29.381
LGA    S    15_A      S    15_A     3.339     0    0.050   0.658     3.908   53.810   52.619
LGA    T    16_A      T    16_A     2.987     0    0.031   0.030     4.135   61.190   53.605
LGA    S    17_A      S    17_A     1.925     0    0.047   0.048     2.533   72.976   68.968
LGA    L    18_A      L    18_A     1.438     0    0.029   1.386     4.763   81.548   63.869
LGA    L    19_A      L    19_A     1.254     0    0.072   1.373     3.030   81.429   76.548
LGA    Q    20_A      Q    20_A     1.196     0    0.023   0.719     2.816   85.952   76.984
LGA    G    21_A      G    21_A     0.494     0    0.083   0.083     0.735   97.619   97.619
LGA    L    22_A      L    22_A     0.446     0    0.025   1.447     3.350   95.238   79.524
LGA    A    23_A      A    23_A     0.634     0    0.014   0.019     0.789   90.476   90.476
LGA    T    24_A      T    24_A     0.680     0    0.090   1.139     3.242   90.476   82.177
LGA    L    25_A      L    25_A     0.681     0    0.015   0.115     1.046   88.214   89.345
LGA    R    26_A      R    26_A     0.822     0    0.010   0.263     1.533   85.952   85.584
LGA    A    27_A      A    27_A     1.316     0    0.041   0.052     1.825   77.143   78.000
LGA    Q    28_A      Q    28_A     1.595     0    0.143   0.877     2.819   75.000   73.016
LGA    G    29_A      G    29_A     2.063     0    0.110   0.110     2.579   64.881   64.881
LGA    Q    30_A      Q    30_A     1.799     0    0.633   1.432     6.945   67.143   52.540
LGA    L    31_A      L    31_A     2.124     0    0.049   1.099     6.212   70.833   59.226
LGA    L    32_A      L    32_A     0.636     0    0.031   0.248     1.140   90.476   88.214
LGA    D    33_A      D    33_A     0.209     0    0.032   0.051     0.552  100.000   97.619
LGA    V    34_A      V    34_A     0.368     0    0.012   0.087     0.750   97.619   95.918
LGA    V    35_A      V    35_A     0.270     0    0.054   0.070     0.565   97.619   98.639
LGA    L    36_A      L    36_A     0.541     0    0.015   0.127     0.903   97.619   94.048
LGA    T    37_A      T    37_A     0.334     0    0.036   1.143     2.732   92.976   84.626
LGA    I    38_A      I    38_A     1.244     0    0.061   1.039     3.774   79.405   73.512
LGA    N    39_A      N    39_A     2.956     0    0.027   1.120     6.465   59.048   50.655
LGA    R    40_A      R    40_A     1.970     0    0.041   1.295     3.397   75.119   66.623
LGA    E    41_A      E    41_A     0.715     0    0.117   0.789     2.309   92.976   83.810
LGA    A    42_A      A    42_A     0.196     0    0.009   0.018     0.641   97.619   98.095
LGA    F    43_A      F    43_A     0.607     0    0.077   0.128     1.986   95.238   84.156
LGA    P    44_A      P    44_A     0.628     0    0.034   0.368     1.826   90.476   86.667
LGA    A    45_A      A    45_A     0.643     0    0.047   0.059     0.891   90.476   90.476
LGA    H    46_A      H    46_A     0.510     0    0.008   1.029     5.549   90.476   66.095
LGA    K    47_A      K    47_A     0.618     0    0.020   0.043     0.966   90.476   90.476
LGA    V    48_A      V    48_A     0.186     0    0.061   0.956     2.115   97.619   89.728
LGA    V    49_A      V    49_A     0.542     0    0.021   0.059     0.909   92.857   91.837
LGA    L    50_A      L    50_A     0.906     0    0.036   0.118     1.898   90.476   83.810
LGA    A    51_A      A    51_A     0.526     0    0.077   0.081     0.926   90.476   92.381
LGA    A    52_A      A    52_A     0.697     0    0.132   0.144     1.323   88.214   88.667
LGA    C    53_A      C    53_A     1.312     0    0.094   0.117     1.908   83.690   80.079
LGA    S    54_A      S    54_A     1.470     0    0.073   0.083     1.710   81.429   78.571
LGA    D    55_A      D    55_A     1.396     0    0.028   0.770     4.041   81.429   68.750
LGA    Y    56_A      Y    56_A     1.248     0    0.029   0.107     1.827   85.952   77.222
LGA    F    57_A      F    57_A     0.862     0    0.044   0.139     2.021   90.476   80.866
LGA    R    58_A      R    58_A     0.594     0    0.059   1.395     7.388   90.476   64.589
LGA    A    59_A      A    59_A     0.623     0    0.042   0.045     0.748   92.857   92.381
LGA    M    60_A      M    60_A     0.526     0    0.089   0.828     3.349   95.238   81.429
LGA    F    61_A      F    61_A     0.861     0    0.016   0.194     1.391   88.214   86.364
LGA    T    62_A      T    62_A     1.168     0    0.058   0.097     1.559   81.548   84.082
LGA    G    63_A      G    63_A     1.681     0    0.053   0.053     1.823   72.857   72.857
LGA    G    64_A      G    64_A     1.886     0    0.257   0.257     2.469   70.833   70.833
LGA    M    65_A      M    65_A     0.672     0    0.062   0.207     1.009   90.476   89.345
LGA    R    66_A      R    66_A     0.803     0    0.012   1.501     9.560   90.476   52.684
LGA    E    67_A      E    67_A     0.324     0    0.020   0.083     1.188  100.000   94.762
LGA    A    68_A      A    68_A     0.139     0    0.019   0.023     0.373  100.000  100.000
LGA    S    69_A      S    69_A     0.551     0    0.017   0.061     0.750   92.857   92.063
LGA    Q    70_A      Q    70_A     0.498     0    0.081   0.951     4.078   95.238   77.725
LGA    D    71_A      D    71_A     0.941     0    0.020   0.100     2.573   90.476   79.702
LGA    V    72_A      V    72_A     1.409     0    0.063   0.129     2.135   77.143   74.150
LGA    I    73_A      I    73_A     1.641     0    0.023   0.056     1.926   75.000   73.929
LGA    E    74_A      E    74_A     1.503     0    0.015   0.120     1.801   72.857   75.714
LGA    L    75_A      L    75_A     1.669     0    0.101   0.130     1.865   72.857   75.000
LGA    K    76_A      K    76_A     1.928     0    0.657   0.549     3.823   63.452   66.878
LGA    G    77_A      G    77_A     2.091     0    0.104   0.104     2.214   68.810   68.810
LGA    V    78_A      V    78_A     1.706     0    0.021   0.086     2.141   79.405   75.442
LGA    S    79_A      S    79_A     1.416     0    0.111   0.507     2.135   79.286   78.730
LGA    A    80_A      A    80_A     1.266     0    0.064   0.081     1.515   81.429   79.714
LGA    R    81_A      R    81_A     1.027     0    0.017   1.031     6.713   85.952   67.186
LGA    G    82_A      G    82_A     0.560     0    0.076   0.076     0.764   90.476   90.476
LGA    L    83_A      L    83_A     0.620     0    0.025   0.117     0.983   90.476   90.476
LGA    R    84_A      R    84_A     0.590     0    0.036   1.147     5.761   90.476   65.411
LGA    H    85_A      H    85_A     0.567     0    0.028   0.296     1.380   90.476   88.667
LGA    I    86_A      I    86_A     0.503     0    0.031   0.131     0.637   95.238   92.857
LGA    I    87_A      I    87_A     0.663     0    0.024   0.686     1.838   90.476   88.274
LGA    D    88_A      D    88_A     0.578     0    0.050   0.125     0.968   90.476   90.476
LGA    F    89_A      F    89_A     0.749     0    0.051   0.223     1.166   88.214   89.654
LGA    A    90_A      A    90_A     0.982     0    0.020   0.025     1.545   83.810   83.333
LGA    Y    91_A      Y    91_A     1.426     0    0.115   0.229     2.049   77.143   76.468
LGA    S    92_A      S    92_A     1.768     0    0.021   0.046     1.934   72.857   72.857
LGA    A    93_A      A    93_A     1.651     0    0.023   0.038     1.844   72.857   72.857
LGA    E    94_A      E    94_A     1.907     0    0.048   0.157     3.331   75.000   66.825
LGA    V    95_A      V    95_A     1.513     0    0.052   0.107     2.086   75.000   74.150
LGA    T    96_A      T    96_A     1.021     0    0.102   0.135     1.517   79.286   82.789
LGA    L    97_A      L    97_A     1.420     0    0.630   0.601     3.259   71.429   72.202
LGA    D    98_A      D    98_A     1.999     0    0.151   0.892     3.140   63.095   68.036
LGA    L    99_A      L    99_A     1.958     0    0.199   1.354     3.263   70.833   68.036
LGA    D   100_A      D   100_A     1.158     0    0.060   0.922     4.167   83.690   69.226
LGA    C   101_A      C   101_A     0.675     0    0.032   0.046     0.783   90.476   92.063
LGA    V   102_A      V   102_A     0.837     0    0.033   1.053     3.364   85.952   78.435
LGA    Q   103_A      Q   103_A     1.262     0    0.031   0.844     2.076   83.690   78.730
LGA    D   104_A      D   104_A     0.831     0    0.037   0.153     1.229   90.476   88.214
LGA    V   105_A      V   105_A     0.540     0    0.027   0.044     0.636   90.476   90.476
LGA    L   106_A      L   106_A     0.718     0    0.038   0.076     0.853   90.476   90.476
LGA    G   107_A      G   107_A     0.554     0    0.063   0.063     0.655   90.476   90.476
LGA    A   108_A      A   108_A     0.565     0    0.066   0.070     0.686   92.857   92.381
LGA    A   109_A      A   109_A     0.597     0    0.010   0.014     0.641   90.476   90.476
LGA    V   110_A      V   110_A     0.703     0    0.017   0.039     0.779   90.476   90.476
LGA    F   111_A      F   111_A     0.692     0    0.022   0.403     1.470   90.476   86.364
LGA    L   112_A      L   112_A     0.467     0    0.036   0.060     0.728   95.238   94.048
LGA    Q   113_A      Q   113_A     0.467     0    0.045   0.795     3.505   92.857   81.852
LGA    M   114_A      M   114_A     0.613     0    0.043   0.708     2.205   90.476   86.131
LGA    L   115_A      L   115_A     0.412     0    0.033   1.434     4.186   95.238   78.155
LGA    P   116_A      P   116_A     0.817     0    0.023   0.047     1.009   90.476   89.184
LGA    V   117_A      V   117_A     0.523     0    0.019   0.059     0.585   90.476   91.837
LGA    V   118_A      V   118_A     0.774     0    0.029   0.054     0.901   90.476   90.476
LGA    E   119_A      E   119_A     0.755     0    0.029   0.430     1.898   90.476   87.513
LGA    L   120_A      L   120_A     0.528     0    0.019   0.134     0.609   90.476   92.857
LGA    C   121_A      C   121_A     0.561     0    0.015   0.065     0.758   90.476   90.476
LGA    E   122_A      E   122_A     1.101     0    0.022   0.200     1.374   83.690   82.434
LGA    E   123_A      E   123_A     1.244     0    0.010   0.980     5.784   81.429   58.307
LGA    F   124_A      F   124_A     1.040     0    0.032   0.165     1.182   81.429   84.719
LGA    L   125_A      L   125_A     1.135     0    0.025   0.107     1.357   81.429   81.429
LGA    K   126_A      K   126_A     1.699     0    0.029   1.058     6.146   75.000   55.714
LGA    A   127_A      A   127_A     1.666     0    0.014   0.019     1.670   72.857   72.857
LGA    A   128_A      A   128_A     1.499     0    0.050   0.059     1.779   77.143   78.000
LGA    M   129_A      M   129_A     2.248     0    0.069   1.267     6.928   64.881   54.226

# 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):     8.256          8.168                  8.488           78.476   74.221

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    117    1.39    82.800    87.446     7.835

LGA_LOCAL      RMSD:   1.393  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   8.873  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   8.256  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.093069 * X  +   0.902678 * Y  +  -0.420131 * Z  + -24.963629
  Y_new =   0.243759 * X  +   0.429779 * Y  +   0.869409 * Z  + -16.659266
  Z_new =   0.965360 * X  +  -0.021495 * Y  +  -0.260035 * Z  + -33.702862 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.935523 -1.306819 -3.059117   [DEG:  110.8973  -74.8752 -175.2745 ]
ZXZ: -2.691445  1.833855  1.593059   [DEG: -154.2084  105.0722   91.2756 ]
 
# END of job
