
#######################################################
#                                                     #
#                        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:    69       3_A - 71_A        4.39    16.55
  LCS_AVERAGE:     55.68

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62       3_A - 64_A        1.90    16.56
  LCS_AVERAGE:     47.44

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40      21_A - 60_A        0.97    16.58
  LCS_AVERAGE:     25.54

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     39   62   69     21   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     E     4_A     E     4_A     39   62   69     24   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     E     5_A     E     5_A     39   62   69     24   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     E     6_A     E     6_A     39   62   69     24   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     R     7_A     R     7_A     39   62   69     24   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     F     8_A     F     8_A     39   62   69     24   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     R     9_A     R     9_A     39   62   69     24   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     A    10_A     A    10_A     39   62   69     24   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     Y    11_A     Y    11_A     39   62   69     24   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     Y    12_A     Y    12_A     39   62   69     24   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     E    13_A     E    13_A     39   62   69     23   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     R    14_A     R    14_A     39   62   69     24   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     Y    15_A     Y    15_A     39   62   69     24   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     F    16_A     F    16_A     39   62   69     24   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     A    17_A     A    17_A     39   62   69     24   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     A    18_A     A    18_A     39   62   69     24   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     L    19_A     L    19_A     39   62   69     24   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     A    20_A     A    20_A     39   62   69     24   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     A    21_A     A    21_A     40   62   69     24   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     R    22_A     R    22_A     40   62   69     23   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     D    23_A     D    23_A     40   62   69     23   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     Y    24_A     Y    24_A     40   62   69     24   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     E    25_A     E    25_A     40   62   69     23   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     T    26_A     T    26_A     40   62   69     24   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     L    27_A     L    27_A     40   62   69     18   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     L    28_A     L    28_A     40   62   69     24   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     E    29_A     E    29_A     40   62   69     24   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     I    30_A     I    30_A     40   62   69     24   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     L    31_A     L    31_A     40   62   69     23   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     R    32_A     R    32_A     40   62   69     23   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     E    33_A     E    33_A     40   62   69     23   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     F    34_A     F    34_A     40   62   69     23   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     G    35_A     G    35_A     40   62   69     24   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     V    36_A     V    36_A     40   62   69     24   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     A    37_A     A    37_A     40   62   69     21   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     K    38_A     K    38_A     40   62   69     21   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     L    39_A     L    39_A     40   62   69     11   37   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     V    40_A     V    40_A     40   62   69      6   28   40   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     L    41_A     L    41_A     40   62   69      6   15   37   50   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     N    42_A     N    42_A     40   62   69      5   12   20   45   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     G    43_A     G    43_A     40   62   69      5   12   37   50   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     R    44_A     R    44_A     40   62   69      6   15   37   53   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     E    45_A     E    45_A     40   62   69      6   28   40   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     F    46_A     F    46_A     40   62   69     11   42   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     A    47_A     A    47_A     40   62   69     21   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     S    48_A     S    48_A     40   62   69     21   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     P    49_A     P    49_A     40   62   69     21   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     E    50_A     E    50_A     40   62   69     15   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     E    51_A     E    51_A     40   62   69     21   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     A    52_A     A    52_A     40   62   69     21   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     V    53_A     V    53_A     40   62   69     21   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     Q    54_A     Q    54_A     40   62   69     21   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     W    55_A     W    55_A     40   62   69     21   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     A    56_A     A    56_A     40   62   69     21   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     R    57_A     R    57_A     40   62   69     21   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     D    58_A     D    58_A     40   62   69     21   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     T    59_A     T    59_A     40   62   69     19   46   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     G    60_A     G    60_A     40   62   69      6   45   52   54   57   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     L    61_A     L    61_A     17   62   69      1    3    5    7   31   59   59   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     R    62_A     R    62_A      3   62   69      0    4    4    4    5   22   52   57   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     F    63_A     F    63_A      3   62   69      1    4    4    4    7   12   34   39   57   58   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     L    64_A     L    64_A      3   62   69      1    4    4    4    4   13   51   54   58   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     R    65_A     R    65_A      3    4   69      1    3    4    5    9   12   16   43   48   54   63   65   67   68   68   69   70   71   73   74 
LCS_GDT     L    66_A     L    66_A      3    4   69      3    3    4    6    9   18   25   34   43   52   53   60   64   64   68   69   70   71   73   74 
LCS_GDT     I    67_A     I    67_A      3    4   69      3    3    3    4    5    6    7    9   12   30   45   60   65   68   68   69   70   71   73   74 
LCS_GDT     R    68_A     R    68_A      3    5   69      3    3    3    4    5    9   16   30   40   49   54   61   66   68   68   69   70   71   73   74 
LCS_GDT     E    69_A     E    69_A      3   48   69      3    3    3    8   15   32   47   48   50   52   53   54   56   57   60   64   67   70   73   74 
LCS_GDT     R    70_A     R    70_A      3   48   69      4   13   33   39   42   45   47   48   50   52   53   54   56   57   60   64   67   70   73   74 
LCS_GDT     Y    71_A     Y    71_A      3   48   69      3   12   26   38   42   45   47   48   50   52   53   54   56   57   60   60   61   63   66   68 
LCS_GDT     E    72_A     E    72_A      3   48   55      3    3    4   16   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     D    73_A     D    73_A      9   48   55      4   16   33   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     G    74_A     G    74_A      9   48   55     23   29   33   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     V    75_A     V    75_A      9   48   55     23   29   33   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     Y    76_A     Y    76_A     20   48   55     23   29   33   39   42   45   47   48   50   52   53   54   56   57   60   64   67   69   73   74 
LCS_GDT     T    77_A     T    77_A     20   48   55     23   29   33   39   42   45   47   48   50   54   60   65   66   68   68   69   70   71   73   74 
LCS_GDT     V    78_A     V    78_A     20   48   55     23   29   33   39   49   54   56   60   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     E    79_A     E    79_A     20   48   55     21   29   33   39   49   53   54   58   61   63   64   66   67   68   68   69   70   71   73   74 
LCS_GDT     D    80_A     D    80_A     20   48   55     17   29   33   39   42   45   47   48   50   52   53   54   60   62   68   68   69   70   72   74 
LCS_GDT     I    81_A     I    81_A     20   48   55     13   22   33   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     V    82_A     V    82_A     20   48   55     10   21   29   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     S    83_A     S    83_A     20   48   55      7   21   26   35   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     R    84_A     R    84_A     20   48   55     12   21   26   35   41   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     D    85_A     D    85_A     20   48   55     13   21   26   31   38   44   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     D    86_A     D    86_A     20   48   55     13   21   26   35   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     G    87_A     G    87_A     20   48   55     13   21   26   35   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     R    88_A     R    88_A     20   48   55     13   21   29   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     Y    89_A     Y    89_A     25   48   55     13   21   33   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     Y    90_A     Y    90_A     25   48   55     13   29   33   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     R    91_A     R    91_A     25   48   55     18   29   33   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     H    92_A     H    92_A     25   48   55     23   29   33   39   42   45   47   48   50   52   53   54   56   64   65   67   69   70   72   74 
LCS_GDT     T    93_A     T    93_A     25   48   55     23   29   33   39   42   53   56   60   60   63   64   66   67   68   68   69   70   71   72   74 
LCS_GDT     S    94_A     S    94_A     25   48   55     23   29   33   39   42   45   47   48   50   52   62   66   67   68   68   69   70   71   73   74 
LCS_GDT     T    95_A     T    95_A     25   48   55     23   29   33   39   42   45   47   48   50   52   53   54   56   60   62   65   67   71   73   74 
LCS_GDT     L    96_A     L    96_A     25   48   55     23   29   33   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     R    97_A     R    97_A     25   48   55     23   29   33   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     R    98_A     R    98_A     25   48   55     23   29   33   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     Q    99_A     Q    99_A     25   48   55     23   29   33   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     P   100_A     P   100_A     25   48   55     15   29   32   39   41   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     D   101_A     D   101_A     25   48   55     23   29   32   39   41   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     G   102_A     G   102_A     25   48   55     23   29   33   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     S   103_A     S   103_A     25   48   55     23   29   33   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     Y   104_A     Y   104_A     25   48   55     23   29   33   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     V   105_A     V   105_A     25   48   55     23   29   33   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     Q   106_A     Q   106_A     25   48   55     23   29   33   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     Y   107_A     Y   107_A     25   48   55     23   29   33   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     S   108_A     S   108_A     25   48   55     23   29   33   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     Q   109_A     Q   109_A     25   48   55     23   29   33   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     L   110_A     L   110_A     25   48   55     23   29   33   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     E   111_A     E   111_A     25   48   55     22   29   33   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     L   112_A     L   112_A     25   48   55     17   29   33   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     L   113_A     L   113_A     25   48   55     13   21   33   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     G   114_A     G   114_A     25   48   55     13   21   33   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     S   115_A     S   115_A     15   48   55     13   21   29   39   42   45   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_GDT     G   116_A     G   116_A     15   48   55      3    3   14   25   38   44   47   48   50   52   53   54   56   57   60   60   61   63   65   66 
LCS_AVERAGE  LCS_A:  42.88  (  25.54   47.44   55.68 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     24     46     52     54     57     59     59     60     61     63     64     66     67     68     68     69     70     71     73     74 
GDT PERCENT_AT  21.05  40.35  45.61  47.37  50.00  51.75  51.75  52.63  53.51  55.26  56.14  57.89  58.77  59.65  59.65  60.53  61.40  62.28  64.04  64.91
GDT RMS_LOCAL    0.37   0.59   0.70   0.86   1.10   1.23   1.23   1.36   1.52   1.85   1.96   2.30   2.52   2.71   2.76   2.88   3.12   3.33   4.18   4.43
GDT RMS_ALL_AT  16.68  16.63  16.62  16.60  16.59  16.60  16.60  16.60  16.61  16.58  16.58  16.54  16.51  16.49  16.52  16.49  16.47  16.47  16.43  16.44

# 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:  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:  E    33_A      E    33_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:  Y    71_A      Y    71_A
#   possible swapping detected:  Y    76_A      Y    76_A
#   possible swapping detected:  E    79_A      E    79_A
#   possible swapping detected:  D    80_A      D    80_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     0.555     0    0.370   0.370     1.895   88.452   88.452
LGA    E     4_A      E     4_A     0.392     0    0.126   0.261     1.852   95.238   86.720
LGA    E     5_A      E     5_A     0.974     0    0.015   0.821     4.492   88.214   71.587
LGA    E     6_A      E     6_A     0.843     0    0.012   0.962     3.091   90.476   83.968
LGA    R     7_A      R     7_A     0.233     0    0.015   0.621     3.487  100.000   77.403
LGA    F     8_A      F     8_A     0.933     0    0.010   0.499     2.809   85.952   77.056
LGA    R     9_A      R     9_A     1.157     0    0.081   1.322     6.604   81.429   62.511
LGA    A    10_A      A    10_A     0.975     0    0.027   0.039     1.026   88.214   88.667
LGA    Y    11_A      Y    11_A     0.951     0    0.093   1.346     8.986   88.214   53.452
LGA    Y    12_A      Y    12_A     1.430     0    0.020   1.429     9.505   77.143   45.000
LGA    E    13_A      E    13_A     1.606     0    0.017   0.094     2.302   77.143   72.063
LGA    R    14_A      R    14_A     1.010     0    0.021   0.082     1.193   85.952   88.831
LGA    Y    15_A      Y    15_A     1.049     0    0.019   0.153     2.668   83.690   75.238
LGA    F    16_A      F    16_A     1.227     0    0.031   1.192     8.971   81.429   47.359
LGA    A    17_A      A    17_A     1.151     0    0.074   0.083     1.328   81.429   81.429
LGA    A    18_A      A    18_A     0.982     0    0.057   0.071     1.104   85.952   86.857
LGA    L    19_A      L    19_A     1.369     0    0.050   0.080     1.605   77.143   78.214
LGA    A    20_A      A    20_A     1.737     0    0.064   0.075     1.956   72.857   72.857
LGA    A    21_A      A    21_A     0.927     0    0.059   0.073     1.145   90.595   88.762
LGA    R    22_A      R    22_A     0.804     0    0.051   1.173     3.544   90.476   81.299
LGA    D    23_A      D    23_A     0.427     0    0.026   0.137     0.617   97.619   96.429
LGA    Y    24_A      Y    24_A     0.864     0    0.056   0.130     1.441   88.214   85.952
LGA    E    25_A      E    25_A     1.095     0    0.155   1.064     3.675   88.214   73.069
LGA    T    26_A      T    26_A     0.630     0    0.010   0.066     0.857   92.857   93.197
LGA    L    27_A      L    27_A     0.568     0    0.013   1.376     3.404   95.238   82.381
LGA    L    28_A      L    28_A     0.429     0    0.039   0.097     0.476  100.000  100.000
LGA    E    29_A      E    29_A     0.405     0    0.070   0.420     1.531  100.000   94.868
LGA    I    30_A      I    30_A     0.263     0    0.026   0.053     0.438  100.000  100.000
LGA    L    31_A      L    31_A     0.400     0    0.019   0.084     0.733  100.000   95.238
LGA    R    32_A      R    32_A     0.482     0    0.027   1.105     6.910  100.000   71.515
LGA    E    33_A      E    33_A     0.440     0    0.026   0.437     2.123  100.000   90.847
LGA    F    34_A      F    34_A     0.416     0    0.066   0.121     0.733   95.238   92.208
LGA    G    35_A      G    35_A     0.993     0    0.075   0.075     0.994   90.476   90.476
LGA    V    36_A      V    36_A     1.041     0    0.038   0.162     1.735   83.690   81.497
LGA    A    37_A      A    37_A     0.829     0    0.116   0.140     0.900   92.857   92.381
LGA    K    38_A      K    38_A     0.596     0    0.006   0.915     3.699   88.214   77.090
LGA    L    39_A      L    39_A     1.430     0    0.008   0.516     4.518   79.286   64.345
LGA    V    40_A      V    40_A     2.111     0    0.021   0.063     2.642   64.881   65.986
LGA    L    41_A      L    41_A     2.844     0    0.039   1.190     6.859   57.143   46.548
LGA    N    42_A      N    42_A     3.298     0    0.029   0.394     4.863   50.000   44.405
LGA    G    43_A      G    43_A     2.855     0    0.049   0.049     2.897   57.143   57.143
LGA    R    44_A      R    44_A     2.599     0    0.042   1.371     5.866   60.952   52.338
LGA    E    45_A      E    45_A     2.163     0    0.049   0.685     5.439   68.810   51.799
LGA    F    46_A      F    46_A     1.033     0    0.072   0.246     2.498   85.952   79.264
LGA    A    47_A      A    47_A     0.632     0    0.043   0.041     0.780   92.857   92.381
LGA    S    48_A      S    48_A     0.417     0    0.084   0.110     0.765  100.000   96.825
LGA    P    49_A      P    49_A     0.346     0    0.056   0.072     0.481  100.000  100.000
LGA    E    50_A      E    50_A     0.579     0    0.015   1.239     3.979   95.238   82.434
LGA    E    51_A      E    51_A     0.425     0    0.031   0.978     2.812  100.000   85.344
LGA    A    52_A      A    52_A     0.211     0    0.012   0.015     0.269  100.000  100.000
LGA    V    53_A      V    53_A     0.168     0    0.061   0.068     0.294  100.000  100.000
LGA    Q    54_A      Q    54_A     0.296     0    0.044   0.184     1.036  100.000   94.762
LGA    W    55_A      W    55_A     0.506     0    0.041   0.137     2.136   95.238   82.415
LGA    A    56_A      A    56_A     0.633     0    0.062   0.060     0.856   92.857   92.381
LGA    R    57_A      R    57_A     0.461     0    0.017   1.194     5.960  100.000   75.238
LGA    D    58_A      D    58_A     0.498     0    0.017   0.124     0.781   95.238   97.619
LGA    T    59_A      T    59_A     0.850     0    0.034   0.093     1.254   85.952   86.599
LGA    G    60_A      G    60_A     1.150     0    0.598   0.598     2.572   75.357   75.357
LGA    L    61_A      L    61_A     3.041     0    0.652   1.332     8.490   44.881   28.274
LGA    R    62_A      R    62_A     6.564     0    0.646   0.952    13.995   20.238    8.268
LGA    F    63_A      F    63_A     7.878     0    0.590   0.749    10.928    6.786    2.987
LGA    L    64_A      L    64_A     6.431     0    0.091   0.525     7.707   12.619   14.167
LGA    R    65_A      R    65_A     9.366     0    0.621   0.825    17.931    3.452    1.255
LGA    L    66_A      L    66_A    11.873     0    0.634   1.285    17.844    0.000    0.000
LGA    I    67_A      I    67_A     9.290     0    0.142   0.190    10.753    0.952    0.774
LGA    R    68_A      R    68_A    11.645     0    0.709   1.579    17.833    0.000    0.000
LGA    E    69_A      E    69_A    16.520     0    0.565   1.107    22.419    0.000    0.000
LGA    R    70_A      R    70_A    16.861     0    0.152   1.329    17.706    0.000    0.000
LGA    Y    71_A      Y    71_A    21.548     0    0.111   1.297    25.836    0.000    0.000
LGA    E    72_A      E    72_A    26.689     0    0.043   1.027    27.914    0.000    0.000
LGA    D    73_A      D    73_A    29.607     0    0.505   0.878    34.279    0.000    0.000
LGA    G    74_A      G    74_A    27.920     0    0.069   0.069    28.388    0.000    0.000
LGA    V    75_A      V    75_A    20.823     0    0.052   0.100    23.414    0.000    0.000
LGA    Y    76_A      Y    76_A    15.571     0    0.024   1.239    18.242    0.000    0.000
LGA    T    77_A      T    77_A     8.787     0    0.011   0.057    11.489    2.857    5.442
LGA    V    78_A      V    78_A     4.620     0    0.045   0.108     6.422   51.310   41.565
LGA    E    79_A      E    79_A     5.511     0    0.026   0.428    10.935   15.357    9.947
LGA    D    80_A      D    80_A    10.407     0    0.097   1.016    12.210    1.190    3.512
LGA    I    81_A      I    81_A    16.541     0    0.037   0.647    21.050    0.000    0.000
LGA    V    82_A      V    82_A    18.382     0    0.173   1.085    22.105    0.000    0.000
LGA    S    83_A      S    83_A    24.307     0    0.144   0.519    27.831    0.000    0.000
LGA    R    84_A      R    84_A    26.748     0    0.037   0.792    31.235    0.000    0.000
LGA    D    85_A      D    85_A    31.556     0    0.052   1.195    36.031    0.000    0.000
LGA    D    86_A      D    86_A    36.712     0    0.037   1.083    38.835    0.000    0.000
LGA    G    87_A      G    87_A    36.079     0    0.058   0.058    36.079    0.000    0.000
LGA    R    88_A      R    88_A    32.321     0    0.022   1.008    37.977    0.000    0.000
LGA    Y    89_A      Y    89_A    27.077     0    0.063   1.051    34.444    0.000    0.000
LGA    Y    90_A      Y    90_A    21.355     0    0.042   0.169    29.849    0.000    0.000
LGA    R    91_A      R    91_A    15.787     0    0.017   0.416    18.254    0.000    0.000
LGA    H    92_A      H    92_A    10.704     0    0.020   0.222    12.229    4.524    3.429
LGA    T    93_A      T    93_A     5.407     0    0.010   0.050     8.342   13.810   20.204
LGA    S    94_A      S    94_A     6.683     0    0.072   0.676     7.357   17.976   17.698
LGA    T    95_A      T    95_A    11.372     0    0.027   0.068    15.264    0.119    0.136
LGA    L    96_A      L    96_A    16.523     0    0.022   1.255    18.942    0.000    0.000
LGA    R    97_A      R    97_A    23.073     0    0.005   1.262    26.241    0.000    0.000
LGA    R    98_A      R    98_A    29.037     0    0.050   1.066    37.386    0.000    0.000
LGA    Q    99_A      Q    99_A    34.955     0    0.020   1.033    37.387    0.000    0.000
LGA    P   100_A      P   100_A    41.887     0    0.047   0.089    44.144    0.000    0.000
LGA    D   101_A      D   101_A    43.357     0    0.053   1.098    43.955    0.000    0.000
LGA    G   102_A      G   102_A    37.838     0    0.013   0.013    39.558    0.000    0.000
LGA    S   103_A      S   103_A    33.461     0    0.016   0.046    35.632    0.000    0.000
LGA    Y   104_A      Y   104_A    26.923     0    0.047   0.078    29.090    0.000    0.000
LGA    V   105_A      V   105_A    25.266     0    0.011   0.024    29.896    0.000    0.000
LGA    Q   106_A      Q   106_A    18.609     0    0.034   0.278    21.231    0.000    0.000
LGA    Y   107_A      Y   107_A    17.368     0    0.039   1.228    27.872    0.000    0.000
LGA    S   108_A      S   108_A    13.985     0    0.007   0.029    17.497    0.000    0.000
LGA    Q   109_A      Q   109_A    14.895     0    0.019   0.256    15.741    0.000    0.000
LGA    L   110_A      L   110_A    17.926     0    0.021   1.315    21.245    0.000    0.000
LGA    E   111_A      E   111_A    20.616     0    0.022   1.089    22.284    0.000    0.000
LGA    L   112_A      L   112_A    26.594     0    0.046   0.069    33.862    0.000    0.000
LGA    L   113_A      L   113_A    27.521     0    0.066   0.162    31.527    0.000    0.000
LGA    G   114_A      G   114_A    34.180     0    0.016   0.016    34.946    0.000    0.000
LGA    S   115_A      S   115_A    38.341     0    0.110   0.153    40.905    0.000    0.000
LGA    G   116_A      G   116_A    41.397     0    0.056   0.056    43.270    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):    13.381         13.323                 13.575           46.277   42.155

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  116  114    4.0     60    1.36    50.219    50.591     4.100

LGA_LOCAL      RMSD:   1.364  Number of atoms:   60  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.597  Number of assigned atoms:  114 
Std_ASGN_ATOMS RMSD:  13.381  Standard rmsd on all 114 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.869286 * X  +  -0.219704 * Y  +  -0.442800 * Z  +  10.153769
  Y_new =  -0.044248 * X  +  -0.857614 * Y  +   0.512387 * Z  +  -8.751278
  Z_new =  -0.492325 * X  +   0.465004 * Y  +   0.735790 * Z  +  10.072395 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.090735  0.514759  0.563602   [DEG: -177.0861   29.4935   32.2920 ]
ZXZ: -2.428917  0.743963 -0.813929   [DEG: -139.1667   42.6260  -46.6347 ]
 
# END of job
