
#######################################################
#                                                     #
#                        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  116 (  967),  selected  114 , name one
# Molecule2: number of CA atoms  114 (  953),  selected  114 , 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:    67       3_A - 69_A        4.64    16.91
  LCS_AVERAGE:     53.35

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58       3_A - 60_A        1.99    17.10
  LCS_AVERAGE:     42.87

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    37       3_A - 39_A        0.99    17.29
  LCS_AVERAGE:     20.41

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  114
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     G     3_A     G     3_A     37   58   67     15   31   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     E     4_A     E     4_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     E     5_A     E     5_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     E     6_A     E     6_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     R     7_A     R     7_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     F     8_A     F     8_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     R     9_A     R     9_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     A    10_A     A    10_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     Y    11_A     Y    11_A     37   58   67     16   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     Y    12_A     Y    12_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     E    13_A     E    13_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     R    14_A     R    14_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     Y    15_A     Y    15_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     F    16_A     F    16_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     A    17_A     A    17_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     A    18_A     A    18_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     L    19_A     L    19_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     A    20_A     A    20_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     A    21_A     A    21_A     37   58   67     15   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     R    22_A     R    22_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     D    23_A     D    23_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     Y    24_A     Y    24_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     E    25_A     E    25_A     37   58   67     17   30   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     T    26_A     T    26_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     L    27_A     L    27_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     L    28_A     L    28_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     E    29_A     E    29_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     I    30_A     I    30_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     L    31_A     L    31_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     R    32_A     R    32_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     E    33_A     E    33_A     37   58   67     17   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     F    34_A     F    34_A     37   58   67     12   27   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     G    35_A     G    35_A     37   58   67      3   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     V    36_A     V    36_A     37   58   67      3   18   36   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     A    37_A     A    37_A     37   58   67      5   10   29   44   49   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     K    38_A     K    38_A     37   58   67      3   19   38   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     L    39_A     L    39_A     37   58   67      9   18   24   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     V    40_A     V    40_A     15   58   67      6   15   22   34   46   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     L    41_A     L    41_A     15   58   67      6   10   19   26   34   44   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     N    42_A     N    42_A     15   58   67      6   10   15   21   32   41   54   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     G    43_A     G    43_A     15   58   67      6   10   18   28   37   48   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     R    44_A     R    44_A     16   58   67      5   13   21   31   41   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     E    45_A     E    45_A     16   58   67      5   15   23   35   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     F    46_A     F    46_A     16   58   67     11   18   38   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     A    47_A     A    47_A     16   58   67     11   31   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     S    48_A     S    48_A     16   58   67     12   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     P    49_A     P    49_A     16   58   67     13   32   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     E    50_A     E    50_A     16   58   67     11   18   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     E    51_A     E    51_A     16   58   67     11   31   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     A    52_A     A    52_A     16   58   67     11   31   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     V    53_A     V    53_A     16   58   67     11   31   40   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     Q    54_A     Q    54_A     16   58   67     11   18   37   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     W    55_A     W    55_A     16   58   67     11   18   37   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     A    56_A     A    56_A     16   58   67      9   18   27   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     R    57_A     R    57_A     16   58   67      9   18   27   46   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     D    58_A     D    58_A     16   58   67      9   18   24   34   50   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     T    59_A     T    59_A     16   58   67      9   18   20   33   45   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     G    60_A     G    60_A     16   58   67      4   10   16   20   31   38   50   58   60   61   64   65   66   66   67   69   69   70   70   71 
LCS_GDT     L    61_A     L    61_A      3   50   67      3    4    4    4   49   55   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     R    62_A     R    62_A      3    3   67      0    4    4    4    4   15   34   52   59   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     F    63_A     F    63_A      3    4   67      1    3    3    4    4   15   24   52   57   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     L    64_A     L    64_A      3    4   67      1    3   27   28   40   51   54   58   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     R    65_A     R    65_A      3    4   67      1    3    3   10   13   16   24   33   41   48   54   61   64   67   68   69   69   70   70   71 
LCS_GDT     L    66_A     L    66_A      3    4   67      3    3    3    4    6    8   14   20   25   31   37   45   54   57   62   68   69   70   70   71 
LCS_GDT     I    67_A     I    67_A      3    4   67      3    3    4   10   13   17   24   35   43   48   54   61   64   67   68   69   69   70   70   71 
LCS_GDT     R    68_A     R    68_A      3    4   67      3    3    3    4    4    7   13   18   23   26   33   40   46   50   55   58   63   66   68   71 
LCS_GDT     E    69_A     E    69_A      3    7   67      3    3    3    5    7   10   10   12   16   21   23   26   34   46   54   57   58   58   62   64 
LCS_GDT     R    70_A     R    70_A      4    7   52      3    3    4    6   11   12   16   18   46   48   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     Y    71_A     Y    71_A      4   46   52      3    3    4   12   37   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     E    72_A     E    72_A      4   46   52      3    4    4    8   12   39   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     D    73_A     D    73_A     10   46   52      6   22   31   36   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     G    74_A     G    74_A     10   46   52     23   28   32   36   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     V    75_A     V    75_A     10   46   52     23   28   32   36   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     Y    76_A     Y    76_A     10   46   52     23   28   32   36   40   44   46   48   49   49   50   51   53   54   56   57   60   65   68   70 
LCS_GDT     T    77_A     T    77_A     19   46   52     23   28   32   36   40   44   46   48   49   49   51   57   62   66   68   69   69   70   70   71 
LCS_GDT     V    78_A     V    78_A     19   46   52     23   28   32   36   40   44   49   54   58   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     E    79_A     E    79_A     19   46   52     23   28   37   44   49   52   55   57   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     D    80_A     D    80_A     19   46   52     23   28   32   35   40   44   46   48   49   49   50   60   65   66   66   68   68   69   70   71 
LCS_GDT     I    81_A     I    81_A     19   46   52     11   27   32   36   40   44   46   48   49   49   50   51   53   54   56   57   60   62   67   68 
LCS_GDT     V    82_A     V    82_A     19   46   52     13   23   32   36   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     S    83_A     S    83_A     19   46   52     10   23   26   36   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     R    84_A     R    84_A     19   46   52     13   23   26   33   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     D    85_A     D    85_A     19   46   52     13   23   26   31   37   43   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     D    86_A     D    86_A     19   46   52     13   23   26   32   38   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     G    87_A     G    87_A     19   46   52     13   23   26   32   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     R    88_A     R    88_A     19   46   52     13   23   26   36   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     Y    89_A     Y    89_A     24   46   52     13   23   28   36   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     Y    90_A     Y    90_A     24   46   52     13   26   32   36   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     R    91_A     R    91_A     24   46   52     13   28   32   36   40   44   46   48   49   49   51   52   58   62   66   67   67   68   69   69 
LCS_GDT     H    92_A     H    92_A     24   46   52     23   28   32   36   40   44   46   48   51   54   60   64   65   66   67   68   68   69   70   71 
LCS_GDT     T    93_A     T    93_A     24   46   52     23   28   32   36   40   44   57   59   60   62   64   65   66   67   68   69   69   70   70   71 
LCS_GDT     S    94_A     S    94_A     24   46   52     23   28   32   36   40   44   46   48   49   49   56   65   66   67   68   69   69   70   70   71 
LCS_GDT     T    95_A     T    95_A     24   46   52     23   28   32   36   40   44   46   48   49   49   50   51   53   54   56   57   60   63   68   71 
LCS_GDT     L    96_A     L    96_A     24   46   52     23   28   32   36   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     R    97_A     R    97_A     24   46   52     23   28   32   36   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     R    98_A     R    98_A     24   46   52     23   28   32   36   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     Q    99_A     Q    99_A     24   46   52     23   28   32   36   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     P   100_A     P   100_A     24   46   52     18   28   32   35   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     D   101_A     D   101_A     24   46   52     23   28   32   35   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     G   102_A     G   102_A     24   46   52     23   28   32   36   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     S   103_A     S   103_A     24   46   52     23   28   32   36   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     Y   104_A     Y   104_A     24   46   52     23   28   32   36   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     V   105_A     V   105_A     24   46   52     23   28   32   36   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     Q   106_A     Q   106_A     24   46   52     23   28   32   36   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     Y   107_A     Y   107_A     24   46   52     23   28   32   36   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     S   108_A     S   108_A     24   46   52     23   28   32   36   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   67 
LCS_GDT     Q   109_A     Q   109_A     24   46   52     23   28   32   36   40   44   46   48   49   49   50   51   53   54   56   57   58   62   64   67 
LCS_GDT     L   110_A     L   110_A     24   46   52     12   28   32   36   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     E   111_A     E   111_A     24   46   52     12   28   32   36   40   44   46   48   49   49   50   51   53   54   56   57   58   60   62   64 
LCS_GDT     L   112_A     L   112_A     24   46   52     13   23   32   36   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     L   113_A     L   113_A     24   46   52     13   23   28   36   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     G   114_A     G   114_A     15   46   52     13   23   26   36   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     S   115_A     S   115_A     15   46   52     13   23   26   36   40   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_GDT     G   116_A     G   116_A     15   46   52      3    9   14   23   37   44   46   48   49   49   50   51   53   54   56   57   58   58   62   64 
LCS_AVERAGE  LCS_A:  38.88  (  20.41   42.87   53.35 )

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     23     32     40     46     50     55     57     59     60     62     64     65     66     67     68     69     69     70     70     71 
GDT PERCENT_AT  20.18  28.07  35.09  40.35  43.86  48.25  50.00  51.75  52.63  54.39  56.14  57.02  57.89  58.77  59.65  60.53  60.53  61.40  61.40  62.28
GDT RMS_LOCAL    0.32   0.59   0.77   1.07   1.37   1.64   1.81   1.99   2.04   2.25   2.49   2.63   2.73   3.21   3.42   3.49   3.49   3.75   3.62   3.77
GDT RMS_ALL_AT  16.14  17.40  17.33  17.24  17.18  17.14  17.11  17.09  17.10  17.05  17.03  17.01  17.00  16.94  16.92  16.91  16.91  16.89  16.93  16.92

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  E     6_A      E     6_A
#   possible swapping detected:  F     8_A      F     8_A
#   possible swapping detected:  Y    11_A      Y    11_A
#   possible swapping detected:  E    13_A      E    13_A
#   possible swapping detected:  Y    15_A      Y    15_A
#   possible swapping detected:  E    25_A      E    25_A
#   possible swapping detected:  E    29_A      E    29_A
#   possible swapping detected:  F    34_A      F    34_A
#   possible swapping detected:  F    46_A      F    46_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    51_A      E    51_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  Y    71_A      Y    71_A
#   possible swapping detected:  Y    76_A      Y    76_A
#   possible swapping detected:  D    85_A      D    85_A
#   possible swapping detected:  D    86_A      D    86_A
#   possible swapping detected:  Y    89_A      Y    89_A
#   possible swapping detected:  Y    90_A      Y    90_A
#   possible swapping detected:  D   101_A      D   101_A
#   possible swapping detected:  Y   104_A      Y   104_A
#   possible swapping detected:  E   111_A      E   111_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_A      G     3_A     1.363     0    0.394   0.394     3.052   73.571   73.571
LGA    E     4_A      E     4_A     1.351     0    0.067   0.577     1.858   81.429   79.524
LGA    E     5_A      E     5_A     1.685     0    0.024   0.849     4.043   72.857   65.556
LGA    E     6_A      E     6_A     1.784     0    0.016   0.805     3.321   72.857   67.619
LGA    R     7_A      R     7_A     1.285     0    0.008   0.412     1.447   81.429   85.541
LGA    F     8_A      F     8_A     1.462     0    0.029   1.185     5.252   77.143   62.208
LGA    R     9_A      R     9_A     1.896     0    0.074   1.372     6.088   70.833   57.749
LGA    A    10_A      A    10_A     1.867     0    0.021   0.031     1.883   72.857   72.857
LGA    Y    11_A      Y    11_A     1.858     0    0.083   1.387    10.084   72.857   41.071
LGA    Y    12_A      Y    12_A     2.036     0    0.032   1.429     8.252   66.786   43.810
LGA    E    13_A      E    13_A     2.119     0    0.011   0.111     2.968   68.810   63.175
LGA    R    14_A      R    14_A     1.506     0    0.022   0.094     1.756   77.143   80.693
LGA    Y    15_A      Y    15_A     1.487     0    0.025   0.137     2.927   77.143   69.008
LGA    F    16_A      F    16_A     1.617     0    0.029   1.145     9.476   77.143   43.420
LGA    A    17_A      A    17_A     1.266     0    0.067   0.075     1.401   81.429   81.429
LGA    A    18_A      A    18_A     1.014     0    0.052   0.067     1.147   81.429   83.238
LGA    L    19_A      L    19_A     1.442     0    0.048   0.086     1.690   77.143   77.143
LGA    A    20_A      A    20_A     1.650     0    0.061   0.071     1.854   75.000   74.571
LGA    A    21_A      A    21_A     0.346     0    0.063   0.074     0.784   92.857   94.286
LGA    R    22_A      R    22_A     1.481     0    0.057   1.166     3.961   79.286   66.840
LGA    D    23_A      D    23_A     1.161     0    0.027   0.094     1.268   83.690   83.690
LGA    Y    24_A      Y    24_A     1.648     0    0.063   0.071     2.066   75.000   72.222
LGA    E    25_A      E    25_A     1.814     0    0.129   1.297     5.124   77.143   61.217
LGA    T    26_A      T    26_A     0.847     0    0.012   0.056     1.282   90.595   91.905
LGA    L    27_A      L    27_A     0.933     0    0.021   1.376     3.673   90.476   79.048
LGA    L    28_A      L    28_A     0.932     0    0.034   0.055     1.161   90.476   85.952
LGA    E    29_A      E    29_A     0.249     0    0.069   0.388     1.528  100.000   92.804
LGA    I    30_A      I    30_A     0.596     0    0.012   0.039     1.142   92.857   90.536
LGA    L    31_A      L    31_A     1.145     0    0.051   0.079     1.600   81.548   80.417
LGA    R    32_A      R    32_A     0.635     0    0.020   1.060     7.126   90.476   67.229
LGA    E    33_A      E    33_A     0.861     0    0.054   0.625     1.746   85.952   83.492
LGA    F    34_A      F    34_A     1.892     0    0.080   0.453     2.292   70.833   74.545
LGA    G    35_A      G    35_A     1.526     0    0.052   0.052     1.771   75.000   75.000
LGA    V    36_A      V    36_A     2.166     0    0.084   0.434     2.575   64.881   63.741
LGA    A    37_A      A    37_A     2.565     0    0.024   0.045     2.624   60.952   60.190
LGA    K    38_A      K    38_A     1.684     0    0.176   0.837     3.189   70.833   67.725
LGA    L    39_A      L    39_A     2.302     0    0.063   1.347     6.620   68.810   49.167
LGA    V    40_A      V    40_A     2.905     0    0.020   0.036     3.864   50.238   53.265
LGA    L    41_A      L    41_A     4.057     0    0.084   1.243     8.360   38.690   30.536
LGA    N    42_A      N    42_A     4.661     0    0.040   0.752     5.100   34.286   39.226
LGA    G    43_A      G    43_A     3.923     0    0.060   0.060     4.064   43.452   43.452
LGA    R    44_A      R    44_A     3.181     0    0.047   1.374     5.790   53.571   48.355
LGA    E    45_A      E    45_A     2.493     0    0.021   0.628     4.759   66.905   52.011
LGA    F    46_A      F    46_A     1.291     0    0.109   0.272     3.171   79.286   71.732
LGA    A    47_A      A    47_A     1.122     0    0.035   0.035     2.155   77.381   80.000
LGA    S    48_A      S    48_A     1.777     0    0.089   0.163     2.262   79.286   74.444
LGA    P    49_A      P    49_A     1.190     0    0.048   0.083     2.015   85.952   80.408
LGA    E    50_A      E    50_A     1.230     0    0.014   1.223     2.703   83.690   78.942
LGA    E    51_A      E    51_A     0.748     0    0.027   0.966     2.723   92.976   82.222
LGA    A    52_A      A    52_A     0.553     0    0.018   0.021     0.758   92.857   92.381
LGA    V    53_A      V    53_A     0.343     0    0.067   0.080     1.165   95.238   91.905
LGA    Q    54_A      Q    54_A     0.960     0    0.038   0.191     2.611   88.214   78.042
LGA    W    55_A      W    55_A     0.845     0    0.038   0.095     2.389   83.810   77.347
LGA    A    56_A      A    56_A     1.731     0    0.038   0.038     2.462   72.976   72.952
LGA    R    57_A      R    57_A     2.057     0    0.030   1.103     3.686   64.881   62.208
LGA    D    58_A      D    58_A     2.851     0    0.046   0.156     3.789   53.810   56.429
LGA    T    59_A      T    59_A     3.534     0    0.160   0.927     4.413   43.690   45.442
LGA    G    60_A      G    60_A     5.205     0    0.399   0.399     5.205   41.190   41.190
LGA    L    61_A      L    61_A     2.507     0    0.621   1.288     8.220   52.024   33.274
LGA    R    62_A      R    62_A     6.675     0    0.620   1.070    15.149   18.810    7.749
LGA    F    63_A      F    63_A     7.028     0    0.581   0.425    10.164   12.619    5.931
LGA    L    64_A      L    64_A     5.438     0    0.044   0.439     7.688   15.476   20.833
LGA    R    65_A      R    65_A    11.885     0    0.604   0.542    24.126    0.119    0.043
LGA    L    66_A      L    66_A    14.534     0    0.618   1.220    20.352    0.000    0.000
LGA    I    67_A      I    67_A    12.625     0    0.076   0.214    15.589    0.000    0.952
LGA    R    68_A      R    68_A    18.994     0    0.657   1.546    25.684    0.000    0.000
LGA    E    69_A      E    69_A    24.193     0    0.692   0.529    27.295    0.000    0.000
LGA    R    70_A      R    70_A    25.634     0    0.701   1.212    26.009    0.000    0.000
LGA    Y    71_A      Y    71_A    27.030     0    0.151   1.283    29.219    0.000    0.000
LGA    E    72_A      E    72_A    32.485     0    0.657   1.194    35.052    0.000    0.000
LGA    D    73_A      D    73_A    33.428     0    0.527   0.849    37.885    0.000    0.000
LGA    G    74_A      G    74_A    30.955     0    0.014   0.014    31.771    0.000    0.000
LGA    V    75_A      V    75_A    24.248     0    0.051   0.107    26.781    0.000    0.000
LGA    Y    76_A      Y    76_A    18.578     0    0.034   1.251    21.125    0.000    0.000
LGA    T    77_A      T    77_A    11.896     0    0.003   0.062    14.564    0.000    0.408
LGA    V    78_A      V    78_A     7.101     0    0.047   0.077     9.402   24.048   17.755
LGA    E    79_A      E    79_A     4.179     0    0.018   0.844     8.247   21.310   30.582
LGA    D    80_A      D    80_A     8.607     0    0.118   1.200    10.107    5.119    9.762
LGA    I    81_A      I    81_A    14.509     0    0.042   0.582    18.889    0.000    0.000
LGA    V    82_A      V    82_A    16.881     0    0.170   0.981    20.365    0.000    0.000
LGA    S    83_A      S    83_A    23.104     0    0.087   0.357    26.461    0.000    0.000
LGA    R    84_A      R    84_A    26.626     0    0.053   0.674    31.423    0.000    0.000
LGA    D    85_A      D    85_A    32.196     0    0.103   1.112    36.472    0.000    0.000
LGA    D    86_A      D    86_A    36.599     0    0.023   1.086    38.067    0.000    0.000
LGA    G    87_A      G    87_A    35.150     0    0.044   0.044    35.150    0.000    0.000
LGA    R    88_A      R    88_A    30.633     0    0.034   1.003    36.590    0.000    0.000
LGA    Y    89_A      Y    89_A    24.796     0    0.063   1.117    33.281    0.000    0.000
LGA    Y    90_A      Y    90_A    18.943     0    0.030   0.127    28.400    0.000    0.000
LGA    R    91_A      R    91_A    12.682     0    0.007   0.474    15.319    0.000    0.390
LGA    H    92_A      H    92_A     8.328     0    0.023   0.254     9.562   15.952   12.476
LGA    T    93_A      T    93_A     4.572     0    0.021   0.050     8.506   18.214   23.197
LGA    S    94_A      S    94_A     7.723     0    0.102   0.606     9.353    8.214    9.921
LGA    T    95_A      T    95_A    13.866     0    0.030   0.063    17.235    0.000    0.000
LGA    L    96_A      L    96_A    18.534     0    0.019   0.288    21.438    0.000    0.000
LGA    R    97_A      R    97_A    25.585     0    0.011   1.263    28.716    0.000    0.000
LGA    R    98_A      R    98_A    31.245     0    0.047   1.064    39.933    0.000    0.000
LGA    Q    99_A      Q    99_A    37.044     0    0.019   1.022    39.471    0.000    0.000
LGA    P   100_A      P   100_A    44.226     0    0.047   0.089    46.373    0.000    0.000
LGA    D   101_A      D   101_A    44.452     0    0.053   1.099    44.714    0.000    0.000
LGA    G   102_A      G   102_A    38.889     0    0.016   0.016    40.715    0.000    0.000
LGA    S   103_A      S   103_A    33.731     0    0.021   0.037    36.163    0.000    0.000
LGA    Y   104_A      Y   104_A    27.632     0    0.062   0.078    29.995    0.000    0.000
LGA    V   105_A      V   105_A    25.997     0    0.012   0.036    30.757    0.000    0.000
LGA    Q   106_A      Q   106_A    19.116     0    0.044   0.182    21.684    0.000    0.000
LGA    Y   107_A      Y   107_A    18.391     0    0.024   1.224    30.117    0.000    0.000
LGA    S   108_A      S   108_A    13.878     0    0.008   0.031    17.331    0.000    0.000
LGA    Q   109_A      Q   109_A    14.439     0    0.049   0.292    15.988    0.000    0.000
LGA    L   110_A      L   110_A    16.125     0    0.030   0.134    19.501    0.000    0.000
LGA    E   111_A      E   111_A    18.050     0    0.023   1.050    19.459    0.000    0.000
LGA    L   112_A      L   112_A    23.677     0    0.035   0.056    31.071    0.000    0.000
LGA    L   113_A      L   113_A    23.787     0    0.093   0.135    27.464    0.000    0.000
LGA    G   114_A      G   114_A    30.673     0    0.039   0.039    31.898    0.000    0.000
LGA    S   115_A      S   115_A    35.820     0    0.125   0.173    38.382    0.000    0.000
LGA    G   116_A      G   116_A    39.441     0    0.665   0.665    41.257    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      114     456    456  100.00     953    953  100.00               114
SUMMARY(RMSD_GDC):    13.660         13.611                 13.907           39.595   36.736

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  116  114    4.0     59    1.99    45.175    46.243     2.830

LGA_LOCAL      RMSD:   1.985  Number of atoms:   59  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  17.087  Number of assigned atoms:  114 
Std_ASGN_ATOMS RMSD:  13.660  Standard rmsd on all 114 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.734436 * X  +  -0.659485 * Y  +  -0.160260 * Z  +  13.143661
  Y_new =   0.478761 * X  +  -0.670811 * Y  +   0.566393 * Z  + -10.177534
  Z_new =  -0.481031 * X  +   0.339253 * Y  +   0.808403 * Z  +   9.741992 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.563900  0.501831  0.397337   [DEG:  146.9006   28.7528   22.7657 ]
ZXZ: -2.865852  0.629362 -0.956548   [DEG: -164.2012   36.0598  -54.8062 ]
 
# END of job
