
#######################################################
#                                                     #
#                        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  176 ( 1334),  selected  176 , name one
# Molecule2: number of CA atoms  176 ( 1334),  selected  176 , 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:   152      18_A - 169_A       4.85    16.24
  LONGEST_CONTINUOUS_SEGMENT:   152      19_A - 170_A       4.87    16.40
  LCS_AVERAGE:     79.07

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      40_A - 160_A       1.98    16.59
  LCS_AVERAGE:     55.50

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78      51_A - 128_A       1.00    16.55
  LONGEST_CONTINUOUS_SEGMENT:    78      52_A - 129_A       0.98    16.57
  LCS_AVERAGE:     23.77

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  176
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     M     1_A     M     1_A      4    4    6      3    4    4    4    4    4    5    5    5    5    5    5    6    6    6    6    9    9    9   49 
LCS_GDT     E     2_A     E     2_A      4    4   26      3    4    4    4    4    4    5    5    5    5    5    5    7   22   26   39   44   47   48   52 
LCS_GDT     Q     3_A     Q     3_A      4    4   26      3    4    4    4    4    4    5    5    8   13   14   25   31   33   37   41   44   47   49   56 
LCS_GDT     S     4_A     S     4_A      4    4   26      3    4    4    4    6    7    9   14   17   21   27   31   36   39   43   47   50   52   56   58 
LCS_GDT     S     5_A     S     5_A      7   10   26      3    4    7    9   10   15   16   18   20   25   28   33   36   41   43   47   50   53   56   59 
LCS_GDT     G     6_A     G     6_A      7   10   26      3    5    7   12   14   18   22   25   27   29   34   35   39   43   44   47   51   55   58   61 
LCS_GDT     D     7_A     D     7_A      7   10   26      3    5    8   12   14   18   22   26   27   30   34   35   39   43   44   48   51   56   61   67 
LCS_GDT     K     8_A     K     8_A      7   10   26      3    5    7   12   14   18   22   26   27   30   34   35   39   43   44   48   51   56   61   67 
LCS_GDT     D     9_A     D     9_A      7   10   26      3    4    7   12   14   18   22   26   28   30   34   35   39   43   45   48   53   62   71   76 
LCS_GDT     G    10_A     G    10_A      7   10   26      3    5    7    9   14   16   22   26   28   30   34   35   39   43   45   48   59   72   74   77 
LCS_GDT     G    11_A     G    11_A      7   10   26      3    5    7    9   12   16   22   26   28   30   34   37   42   49   59   67   74   78   84   97 
LCS_GDT     S    12_A     S    12_A      3   10   26      3    3    5    9   10   13   17   22   28   30   34   35   39   43   54   61   72   75   82   95 
LCS_GDT     D    13_A     D    13_A      4   10   26      4    4    8   12   14   18   22   26   28   30   34   37   42   50   59   67   74   85   96  101 
LCS_GDT     S    14_A     S    14_A      4   10   26      4    4    8   12   14   18   22   26   28   30   34   39   45   55   60   70   81   89   98  106 
LCS_GDT     G    15_A     G    15_A      4    9  150      4    4    6    9   13   18   22   26   28   30   34   39   45   55   64   70   80   89   98  109 
LCS_GDT     G    16_A     G    16_A      4    9  151      4    4    4    8   11   17   21   26   28   30   39   51   60   70   82   91  101  110  122  130 
LCS_GDT     A    17_A     A    17_A      5    9  151      4    5    8   12   14   18   22   26   28   30   37   44   58   67   78   87   95  108  118  130 
LCS_GDT     Q    18_A     Q    18_A      5    9  152      4    5    6    9   11   17   22   26   28   30   39   54   70   79   84   94  112  127  132  138 
LCS_GDT     D    19_A     D    19_A      5    9  152      4    4    5    9   10   16   22   26   34   49   64   78   89  112  118  131  138  141  143  143 
LCS_GDT     G    20_A     G    20_A      5    9  152      4    5    6    9   10   12   17   22   25   31   42   71   88  100  114  124  128  136  143  143 
LCS_GDT     G    21_A     G    21_A      5    9  152      3    5    6    9   12   16   21   26   64   70  107  120  128  138  139  141  142  142  143  144 
LCS_GDT     S    22_A     S    22_A      4  114  152      3    4    7   39   74  100  113  129  135  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     L    23_A     L    23_A     12  114  152      8   17   65  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     D    24_A     D    24_A     12  114  152      5   44   87  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     S    25_A     S    25_A     12  114  152      5   30   77  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     L    26_A     L    26_A     12  114  152      5   37   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     K    27_A     K    27_A     12  114  152      7   38   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     K    28_A     K    28_A     12  114  152      7   23   71  108  114  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     Y    29_A     Y    29_A     12  114  152      7   48   85  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     N    30_A     N    30_A     12  114  152      5   51   87  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     G    31_A     G    31_A     12  114  152      4   48   85  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     K    32_A     K    32_A     12  114  152      5   48   85  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     L    33_A     L    33_A     12  114  152      5   56   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     P    34_A     P    34_A     12  114  152      5    5   21   61  105  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     K    35_A     K    35_A     10  114  152      6   13   36   53   85  103  128  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     H    36_A     H    36_A     10  114  152      6   15   42   59   87  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     D    37_A     D    37_A     10  114  152      6   15   38   66   87  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     P    38_A     P    38_A     10  114  152      6   15   26   66   87  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     S    39_A     S    39_A     10  114  152      6   15   24   66   98  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     F    40_A     F    40_A     10  121  152      6   15   38   66  106  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     V    41_A     V    41_A     10  121  152      6    8   21   43   97  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     Q    42_A     Q    42_A     10  121  152      6   31   62   99  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     P    43_A     P    43_A     10  121  152      3   14   54   81  111  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     G    44_A     G    44_A      6  121  152      4   16   24   71  100  120  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     N    45_A     N    45_A      5  121  152      3   22   36   86  105  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     R    46_A     R    46_A      5  121  152      3   18   71   99  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     H    47_A     H    47_A      5  121  152      3   10   54   96  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     Y    48_A     Y    48_A     14  121  152      3   17   55   96  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     K    49_A     K    49_A     14  121  152      3   17   56  100  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     Y    50_A     Y    50_A     39  121  152      4   10   45   88  108  119  127  132  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     Q    51_A     Q    51_A     78  121  152      6   45   82  102  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     C    52_A     C    52_A     78  121  152     24   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     T    53_A     T    53_A     78  121  152     24   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     W    54_A     W    54_A     78  121  152     24   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     Y    55_A     Y    55_A     78  121  152     24   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     A    56_A     A    56_A     78  121  152     24   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     Y    57_A     Y    57_A     78  121  152     24   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     N    58_A     N    58_A     78  121  152     24   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     R    59_A     R    59_A     78  121  152     19   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     R    60_A     R    60_A     78  121  152     10   63   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     G    61_A     G    61_A     78  121  152     22   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     Q    62_A     Q    62_A     78  121  152      8   11   85  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     L    63_A     L    63_A     78  121  152      8   11   58  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     G    64_A     G    64_A     78  121  152     12   67   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     I    65_A     I    65_A     78  121  152     19   62   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     P    66_A     P    66_A     78  121  152      3   44   85  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     V    67_A     V    67_A     78  121  152      5   44   85  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     P    68_A     P    68_A     78  121  152      5   52   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     L    69_A     L    69_A     78  121  152     24   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     W    70_A     W    70_A     78  121  152     23   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     G    71_A     G    71_A     78  121  152      9   56   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     D    72_A     D    72_A     78  121  152     21   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     A    73_A     A    73_A     78  121  152     21   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     A    74_A     A    74_A     78  121  152     25   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     D    75_A     D    75_A     78  121  152     24   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     W    76_A     W    76_A     78  121  152     24   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     I    77_A     I    77_A     78  121  152     24   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     G    78_A     G    78_A     78  121  152     24   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     G    79_A     G    79_A     78  121  152     24   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     A    80_A     A    80_A     78  121  152     24   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     K    81_A     K    81_A     78  121  152     19   67   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     G    82_A     G    82_A     78  121  152     23   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     A    83_A     A    83_A     78  121  152     24   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     G    84_A     G    84_A     78  121  152     24   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     Y    85_A     Y    85_A     78  121  152     23   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     G    86_A     G    86_A     78  121  152     21   67   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     V    87_A     V    87_A     78  121  152     24   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     G    88_A     G    88_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     R    89_A     R    89_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     T    90_A     T    90_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     P    91_A     P    91_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     K    92_A     K    92_A     78  121  152     25   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     Q    93_A     Q    93_A     78  121  152     25   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     G    94_A     G    94_A     78  121  152     31   57   90  104  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     A    95_A     A    95_A     78  121  152     26   62   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     C    96_A     C    96_A     78  121  152     26   62   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     V    97_A     V    97_A     78  121  152     25   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     I    98_A     I    98_A     78  121  152     24   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     W    99_A     W    99_A     78  121  152     26   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     Q   100_A     Q   100_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     R   101_A     R   101_A     78  121  152     26   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     G   102_A     G   102_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     V   103_A     V   103_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     Q   104_A     Q   104_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     G   105_A     G   105_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     G   106_A     G   106_A     78  121  152     13   69   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     S   107_A     S   107_A     78  121  152     11   56   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     P   108_A     P   108_A     78  121  152     13   52   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     Q   109_A     Q   109_A     78  121  152     17   64   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     Y   110_A     Y   110_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     G   111_A     G   111_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     H   112_A     H   112_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     V   113_A     V   113_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     A   114_A     A   114_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     F   115_A     F   115_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     V   116_A     V   116_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     E   117_A     E   117_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     K   118_A     K   118_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     V   119_A     V   119_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     L   120_A     L   120_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     D   121_A     D   121_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     G   122_A     G   122_A     78  121  152     18   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     G   123_A     G   123_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     K   124_A     K   124_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     K   125_A     K   125_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     I   126_A     I   126_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     F   127_A     F   127_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     I   128_A     I   128_A     78  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     S   129_A     S   129_A     78  121  152     25   56   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     E   130_A     E   130_A     67  121  152      8   37   76  108  114  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     H   131_A     H   131_A     63  121  152      5   12   32   53   87  114  128  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     N   132_A     N   132_A     17  121  152      5   12   23   45   81  108  128  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     Y   133_A     Y   133_A      8  121  152      5   15   24   44   96  119  129  132  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     A   134_A     A   134_A      8  121  152      5    8   44  100  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     T   135_A     T   135_A      8  121  152     10   61   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     P   136_A     P   136_A      8  121  152      5   18   45   78  107  114  124  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     N   137_A     N   137_A      9  121  152      4    7   10   15   26   47   67   81  110  117  125  137  139  140  141  141  142  142  143  144 
LCS_GDT     G   138_A     G   138_A     19  121  152      4   11   25   49   66   84  111  119  126  135  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     Y   139_A     Y   139_A     22  121  152      8   39   61   83  111  114  122  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     G   140_A     G   140_A     22  121  152     11   53   69   99  112  118  125  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     T   141_A     T   141_A     22  121  152     24   56   91  108  114  120  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     R   142_A     R   142_A     22  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     T   143_A     T   143_A     22  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     I   144_A     I   144_A     22  121  152     25   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     D   145_A     D   145_A     22  121  152     23   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     M   146_A     M   146_A     22  121  152     26   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     S   147_A     S   147_A     22  121  152     26   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     S   148_A     S   148_A     22  121  152     25   59   91  107  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     A   149_A     A   149_A     22  121  152     26   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     I   150_A     I   150_A     22  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     G   151_A     G   151_A     22  121  152     26   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     K   152_A     K   152_A     22  121  152     26   63   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     N   153_A     N   153_A     22  121  152     23   62   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     A   154_A     A   154_A     22  121  152     20   66   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     Q   155_A     Q   155_A     22  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     F   156_A     F   156_A     22  121  152     31   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     I   157_A     I   157_A     22  121  152     24   70   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     Y   158_A     Y   158_A     22  121  152     11   62   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     D   159_A     D   159_A     22  121  152     17   66   91  108  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     K   160_A     K   160_A     22  121  152      3   66   90  106  115  121  129  133  136  137  137  138  139  140  141  141  142  142  143  144 
LCS_GDT     K   161_A     K   161_A      3  118  152      3   13   33   59   65   77   92  107  118  127  133  138  139  140  141  141  142  142  143  144 
LCS_GDT     K   162_A     K   162_A      3  112  152      3   14   29   40   54   64   76   85  100  114  125  131  134  139  141  141  142  142  143  144 
LCS_GDT     N   163_A     N   163_A      4    6  152      3    4    6    7   10   40   55   62   66   76   82  101  106  118  125  132  134  140  143  144 
LCS_GDT     S   164_A     S   164_A      4    6  152      3    4    6    6   10   12   15   16   20   27   44   73   80   90  103  114  127  136  137  140 
LCS_GDT     S   165_A     S   165_A      4    6  152      3    4    6    6   10   13   15   20   48   66   70   78   84   95  107  121  130  136  137  140 
LCS_GDT     S   166_A     S   166_A      4    6  152      3    4    5    7    9   13   14   35   59   66   70   76   83   95  108  123  127  136  137  140 
LCS_GDT     V   167_A     V   167_A      3    6  152      3    4    4    6   10   13   14   18   24   30   38   59   70   80   90   99  115  126  129  135 
LCS_GDT     D   168_A     D   168_A      6    7  152      5    5    6    7   14   27   44   58   62   68   75   81   95  113  122  127  133  136  138  143 
LCS_GDT     K   169_A     K   169_A      6    7  152      5    5    6    7    7    9   10   21   40   52   77   84   99  113  122  127  134  138  143  144 
LCS_GDT     L   170_A     L   170_A      6    7  152      5    5    6    7    7    9   11   13   14   16   16   24   36   49   63   77   90   96  104  123 
LCS_GDT     A   171_A     A   171_A      6    7  151      5    5    6    7    7    9   11   13   14   16   16   21   30   40   51   66   75   91   96  106 
LCS_GDT     A   172_A     A   172_A      6    7  133      5    5    6    7    7    9   11   13   15   19   28   35   48   61   72   79   90   96  103  115 
LCS_GDT     A   173_A     A   173_A      6    7  105      4    5    6    7    7    9   11   13   14   16   22   24   30   44   52   66   81   91   97  106 
LCS_GDT     L   174_A     L   174_A      5    7   17      3    4    6    7    7    9   11   13   14   16   16   17   18   22   31   37   45   54   64   77 
LCS_GDT     E   175_A     E   175_A      4    5   17      3    4    4    4    6    8   11   13   14   16   16   24   36   45   52   72   81   93   98  106 
LCS_GDT     H   176_A     H   176_A      4    5   17      2    4    4    4    6    7   11   13   14   16   16   17   18   31   52   69   76   84   94  103 
LCS_AVERAGE  LCS_A:  52.78  (  23.77   55.50   79.07 )

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     31     70     91    108    115    121    129    133    136    137    137    138    139    140    141    141    142    142    143    144 
GDT PERCENT_AT  17.61  39.77  51.70  61.36  65.34  68.75  73.30  75.57  77.27  77.84  77.84  78.41  78.98  79.55  80.11  80.11  80.68  80.68  81.25  81.82
GDT RMS_LOCAL    0.31   0.68   0.91   1.15   1.31   1.48   1.72   1.85   1.94   2.00   2.00   2.06   2.17   2.28   2.43   2.43   2.58   2.58   2.85   3.12
GDT RMS_ALL_AT  16.56  16.56  16.72  16.82  16.67  16.67  16.63  16.69  16.66  16.63  16.63  16.65  16.62  16.65  16.61  16.61  16.55  16.55  16.51  16.54

# Checking swapping
#   possible swapping detected:  E     2_A      E     2_A
#   possible swapping detected:  D     7_A      D     7_A
#   possible swapping detected:  D    19_A      D    19_A
#   possible swapping detected:  Y    48_A      Y    48_A
#   possible swapping detected:  Y    55_A      Y    55_A
#   possible swapping detected:  Y    57_A      Y    57_A
#   possible swapping detected:  D    72_A      D    72_A
#   possible swapping detected:  Y    85_A      Y    85_A
#   possible swapping detected:  Y   110_A      Y   110_A
#   possible swapping detected:  F   115_A      F   115_A
#   possible swapping detected:  E   117_A      E   117_A
#   possible swapping detected:  F   127_A      F   127_A
#   possible swapping detected:  Y   133_A      Y   133_A
#   possible swapping detected:  D   145_A      D   145_A
#   possible swapping detected:  F   156_A      F   156_A
#   possible swapping detected:  D   159_A      D   159_A
#   possible swapping detected:  E   175_A      E   175_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_A      M     1_A    71.921     0    0.020   0.925    73.522    0.000    0.000
LGA    E     2_A      E     2_A    68.626     0    0.143   1.109    71.493    0.000    0.000
LGA    Q     3_A      Q     3_A    64.122     0    0.566   0.969    65.884    0.000    0.000
LGA    S     4_A      S     4_A    63.009     0    0.550   0.734    66.223    0.000    0.000
LGA    S     5_A      S     5_A    64.454     0    0.615   0.911    66.281    0.000    0.000
LGA    G     6_A      G     6_A    59.573     0    0.272   0.272    60.945    0.000    0.000
LGA    D     7_A      D     7_A    54.053     0    0.065   1.150    56.856    0.000    0.000
LGA    K     8_A      K     8_A    49.751     0    0.145   0.805    51.237    0.000    0.000
LGA    D     9_A      D     9_A    44.892     0    0.070   1.247    46.876    0.000    0.000
LGA    G    10_A      G    10_A    40.457     0    0.415   0.415    41.792    0.000    0.000
LGA    G    11_A      G    11_A    35.402     0    0.632   0.632    37.259    0.000    0.000
LGA    S    12_A      S    12_A    33.259     0    0.640   0.562    35.314    0.000    0.000
LGA    D    13_A      D    13_A    30.564     0    0.568   0.992    31.785    0.000    0.000
LGA    S    14_A      S    14_A    29.133     0    0.106   0.515    32.122    0.000    0.000
LGA    G    15_A      G    15_A    27.528     0    0.241   0.241    27.836    0.000    0.000
LGA    G    16_A      G    16_A    21.912     0    0.149   0.149    23.929    0.000    0.000
LGA    A    17_A      A    17_A    22.067     0    0.043   0.048    22.067    0.000    0.000
LGA    Q    18_A      Q    18_A    19.210     0    0.149   1.298    24.317    0.000    0.000
LGA    D    19_A      D    19_A    15.280     0    0.048   1.390    16.549    0.000    0.000
LGA    G    20_A      G    20_A    16.404     0    0.404   0.404    16.404    0.000    0.000
LGA    G    21_A      G    21_A    10.857     0    0.163   0.163    12.780    4.524    4.524
LGA    S    22_A      S    22_A     5.931     0    0.642   0.745     9.584   33.929   23.492
LGA    L    23_A      L    23_A     1.886     0    0.543   0.506     4.381   56.190   67.143
LGA    D    24_A      D    24_A     1.309     0    0.085   0.855     3.278   81.429   70.298
LGA    S    25_A      S    25_A     1.665     0    0.129   0.646     2.319   79.286   74.444
LGA    L    26_A      L    26_A     1.167     0    0.070   0.089     1.377   83.690   82.560
LGA    K    27_A      K    27_A     1.209     0    0.053   0.969     4.102   81.429   72.063
LGA    K    28_A      K    28_A     1.925     0    0.034   0.533     3.423   70.833   63.333
LGA    Y    29_A      Y    29_A     1.496     0    0.025   0.161     3.208   81.429   70.556
LGA    N    30_A      N    30_A     1.143     0    0.091   0.888     2.313   81.429   77.262
LGA    G    31_A      G    31_A     1.339     0    0.034   0.034     1.374   81.429   81.429
LGA    K    32_A      K    32_A     1.440     0    0.201   1.043     3.788   77.262   62.275
LGA    L    33_A      L    33_A     0.769     0    0.037   0.163     2.083   79.643   80.714
LGA    P    34_A      P    34_A     3.383     0    0.040   0.136     4.061   57.381   51.565
LGA    K    35_A      K    35_A     4.875     0    0.013   0.938    14.670   35.714   17.672
LGA    H    36_A      H    36_A     4.147     0    0.062   1.198     5.854   35.714   35.714
LGA    D    37_A      D    37_A     4.239     0    0.027   0.913     5.856   38.690   34.524
LGA    P    38_A      P    38_A     4.171     0    0.049   0.260     4.601   37.143   35.510
LGA    S    39_A      S    39_A     4.099     0    0.016   0.222     4.188   40.238   40.238
LGA    F    40_A      F    40_A     3.704     0    0.032   0.123     3.853   43.333   46.970
LGA    V    41_A      V    41_A     3.636     0    0.062   1.075     6.024   50.238   39.524
LGA    Q    42_A      Q    42_A     2.433     0    0.046   1.269     4.864   62.857   54.762
LGA    P    43_A      P    43_A     3.153     0    0.597   0.565     4.730   48.571   44.626
LGA    G    44_A      G    44_A     3.151     0    0.103   0.103     3.333   53.571   53.571
LGA    N    45_A      N    45_A     3.147     0    0.558   1.276     8.555   55.476   36.548
LGA    R    46_A      R    46_A     2.437     0    0.204   0.597     2.549   60.952   70.173
LGA    H    47_A      H    47_A     3.041     0    0.126   0.578     5.928   55.357   40.762
LGA    Y    48_A      Y    48_A     3.014     0    0.141   0.208     5.896   55.357   39.643
LGA    K    49_A      K    49_A     2.926     0    0.656   1.033     6.043   59.048   41.376
LGA    Y    50_A      Y    50_A     4.350     0    0.049   1.207    10.454   40.238   20.040
LGA    Q    51_A      Q    51_A     2.408     0    0.022   1.104     7.465   66.905   46.931
LGA    C    52_A      C    52_A     0.871     0    0.077   0.108     1.235   88.214   88.968
LGA    T    53_A      T    53_A     0.382     0    0.026   0.081     0.509   97.619   98.639
LGA    W    54_A      W    54_A     0.323     0    0.023   1.513     6.868  100.000   69.626
LGA    Y    55_A      Y    55_A     0.867     0    0.062   1.430    10.484   88.214   47.619
LGA    A    56_A      A    56_A     0.849     0    0.025   0.027     0.944   90.476   90.476
LGA    Y    57_A      Y    57_A     0.566     0    0.026   1.400     6.813   90.476   64.008
LGA    N    58_A      N    58_A     0.981     0    0.041   1.118     3.610   88.214   81.190
LGA    R    59_A      R    59_A     0.898     0    0.099   1.275     7.003   85.952   55.411
LGA    R    60_A      R    60_A     1.073     0    0.034   1.215     5.542   85.952   70.346
LGA    G    61_A      G    61_A     1.083     0    0.066   0.066     1.533   81.548   81.548
LGA    Q    62_A      Q    62_A     2.212     0    0.066   1.025     5.394   66.786   54.868
LGA    L    63_A      L    63_A     2.067     0    0.044   0.142     3.604   70.833   63.214
LGA    G    64_A      G    64_A     1.181     0    0.066   0.066     1.365   85.952   85.952
LGA    I    65_A      I    65_A     0.713     0    0.222   0.249     1.561   86.071   83.750
LGA    P    66_A      P    66_A     1.423     0    0.099   0.228     1.582   81.548   81.565
LGA    V    67_A      V    67_A     1.410     0    0.010   0.020     1.612   81.429   80.204
LGA    P    68_A      P    68_A     1.039     0    0.083   0.294     1.333   85.952   86.599
LGA    L    69_A      L    69_A     0.804     0    0.013   0.250     0.996   90.476   90.476
LGA    W    70_A      W    70_A     0.953     0    0.656   0.493     3.393   78.095   86.939
LGA    G    71_A      G    71_A     1.225     0    0.271   0.271     2.323   77.262   77.262
LGA    D    72_A      D    72_A     0.844     0    0.062   0.850     2.582   90.476   81.845
LGA    A    73_A      A    73_A     0.676     0    0.039   0.038     0.885   90.476   90.476
LGA    A    74_A      A    74_A     0.493     0    0.076   0.077     1.049   92.976   92.476
LGA    D    75_A      D    75_A     0.546     0    0.095   0.498     1.944   97.619   91.845
LGA    W    76_A      W    76_A     0.528     0    0.034   0.086     0.604   92.857   96.599
LGA    I    77_A      I    77_A     0.516     0    0.036   0.106     0.572   92.857   96.429
LGA    G    78_A      G    78_A     0.828     0    0.018   0.018     0.865   90.476   90.476
LGA    G    79_A      G    79_A     0.863     0    0.021   0.021     0.886   90.476   90.476
LGA    A    80_A      A    80_A     0.585     0    0.008   0.008     0.681   90.476   90.476
LGA    K    81_A      K    81_A     0.927     0    0.026   0.778     2.771   85.952   78.836
LGA    G    82_A      G    82_A     1.489     0    0.022   0.022     1.666   79.286   79.286
LGA    A    83_A      A    83_A     1.322     0    0.054   0.054     1.322   81.429   81.429
LGA    G    84_A      G    84_A     1.058     0    0.010   0.010     1.128   85.952   85.952
LGA    Y    85_A      Y    85_A     0.594     0    0.067   0.664     2.218   90.476   83.929
LGA    G    86_A      G    86_A     0.380     0    0.110   0.110     0.380  100.000  100.000
LGA    V    87_A      V    87_A     0.355     0    0.028   0.080     0.608   95.238   95.918
LGA    G    88_A      G    88_A     1.071     0    0.061   0.061     1.071   88.214   88.214
LGA    R    89_A      R    89_A     0.793     0    0.042   1.275     6.383   90.476   68.745
LGA    T    90_A      T    90_A     0.679     0    0.018   0.018     1.056   88.214   87.891
LGA    P    91_A      P    91_A     1.127     0    0.126   0.155     1.449   83.690   85.306
LGA    K    92_A      K    92_A     1.078     0    0.029   0.681     4.737   81.429   72.116
LGA    Q    93_A      Q    93_A     1.424     0    0.039   0.145     2.014   77.143   74.815
LGA    G    94_A      G    94_A     2.515     0    0.230   0.230     3.587   55.595   55.595
LGA    A    95_A      A    95_A     1.860     0    0.040   0.044     1.988   77.143   76.286
LGA    C    96_A      C    96_A     1.828     0    0.057   0.770     2.462   77.143   77.302
LGA    V    97_A      V    97_A     0.366     0    0.049   1.132     2.374   97.619   88.571
LGA    I    98_A      I    98_A     0.746     0    0.061   0.110     1.064   88.214   89.345
LGA    W    99_A      W    99_A     0.700     0    0.108   0.160     1.186   88.214   93.231
LGA    Q   100_A      Q   100_A     0.790     0    0.037   0.461     1.360   90.476   88.466
LGA    R   101_A      R   101_A     0.579     0    0.062   1.296     3.748   88.214   77.792
LGA    G   102_A      G   102_A     1.388     0    0.121   0.121     2.428   77.381   77.381
LGA    V   103_A      V   103_A     1.205     0    0.026   0.057     1.515   85.952   84.082
LGA    Q   104_A      Q   104_A     1.352     0    0.020   1.040     4.091   83.690   77.566
LGA    G   105_A      G   105_A     1.090     0    0.011   0.011     1.199   83.690   83.690
LGA    G   106_A      G   106_A     0.788     0    0.052   0.052     0.870   90.476   90.476
LGA    S   107_A      S   107_A     1.207     0    0.106   0.721     3.917   83.690   75.159
LGA    P   108_A      P   108_A     1.167     0    0.043   0.114     1.578   83.690   80.272
LGA    Q   109_A      Q   109_A     0.840     0    0.015   1.164     3.647   90.476   80.317
LGA    Y   110_A      Y   110_A     0.419     0    0.052   0.208     2.676   95.238   81.310
LGA    G   111_A      G   111_A     0.430     0    0.091   0.091     0.892   97.619   97.619
LGA    H   112_A      H   112_A     0.279     0    0.027   0.416     2.002  100.000   90.952
LGA    V   113_A      V   113_A     0.814     0    0.035   1.215     2.388   88.214   80.544
LGA    A   114_A      A   114_A     1.284     0    0.056   0.077     1.460   83.690   83.238
LGA    F   115_A      F   115_A     1.675     0    0.034   0.187     2.486   72.857   69.913
LGA    V   116_A      V   116_A     1.631     0    0.050   0.063     1.862   72.857   75.306
LGA    E   117_A      E   117_A     2.035     0    0.036   0.193     2.569   66.786   64.815
LGA    K   118_A      K   118_A     1.876     0    0.051   0.636     3.141   75.000   68.677
LGA    V   119_A      V   119_A     1.554     0    0.044   0.066     2.057   70.833   72.925
LGA    L   120_A      L   120_A     1.873     0    0.058   0.115     2.203   72.857   69.821
LGA    D   121_A      D   121_A     1.653     0    0.181   1.207     4.869   75.000   63.036
LGA    G   122_A      G   122_A     1.317     0    0.295   0.295     1.905   79.286   79.286
LGA    G   123_A      G   123_A     0.994     0    0.142   0.142     1.240   88.214   88.214
LGA    K   124_A      K   124_A     0.728     0    0.108   0.634     1.183   88.214   88.466
LGA    K   125_A      K   125_A     1.360     0    0.060   0.843     3.311   81.429   75.079
LGA    I   126_A      I   126_A     1.169     0    0.031   0.041     1.288   81.429   85.952
LGA    F   127_A      F   127_A     1.639     0    0.061   0.168     3.193   75.000   64.459
LGA    I   128_A      I   128_A     1.589     0    0.012   0.030     1.899   72.857   77.143
LGA    S   129_A      S   129_A     2.209     0    0.104   0.683     4.491   66.786   60.238
LGA    E   130_A      E   130_A     2.484     0    0.051   0.675     5.076   59.167   51.534
LGA    H   131_A      H   131_A     4.092     0    0.415   0.841     6.908   31.667   40.000
LGA    N   132_A      N   132_A     4.426     0    0.254   1.337     9.890   34.762   20.536
LGA    Y   133_A      Y   133_A     4.253     0    0.048   0.106     9.624   41.786   22.262
LGA    A   134_A      A   134_A     2.588     0    0.024   0.026     3.577   69.286   64.095
LGA    T   135_A      T   135_A     1.463     0    0.046   0.092     3.913   75.833   66.939
LGA    P   136_A      P   136_A     4.285     0    0.124   0.393     6.177   33.214   38.639
LGA    N   137_A      N   137_A     8.784     0    0.371   0.999    14.090    5.595    2.798
LGA    G   138_A      G   138_A     6.311     0    0.072   0.072     7.087   19.881   19.881
LGA    Y   139_A      Y   139_A     4.148     0    0.052   0.984     6.811   35.952   32.857
LGA    G   140_A      G   140_A     3.392     0    0.045   0.045     3.625   50.119   50.119
LGA    T   141_A      T   141_A     2.403     0    0.034   0.106     2.764   62.857   60.408
LGA    R   142_A      R   142_A     1.952     0    0.038   0.773     4.043   70.833   62.468
LGA    T   143_A      T   143_A     1.687     0    0.020   0.105     2.160   72.857   71.701
LGA    I   144_A      I   144_A     1.194     0    0.025   0.576     1.856   81.429   82.619
LGA    D   145_A      D   145_A     1.337     0    0.026   0.882     2.746   81.429   75.238
LGA    M   146_A      M   146_A     0.987     0    0.016   0.636     1.848   83.690   84.881
LGA    S   147_A      S   147_A     1.592     0    0.093   0.590     3.725   72.976   69.444
LGA    S   148_A      S   148_A     2.034     0    0.016   0.731     3.729   72.976   66.667
LGA    A   149_A      A   149_A     1.650     0    0.010   0.014     1.834   77.143   76.286
LGA    I   150_A      I   150_A     0.696     0    0.020   0.600     2.550   90.595   85.238
LGA    G   151_A      G   151_A     0.688     0    0.039   0.039     0.877   90.476   90.476
LGA    K   152_A      K   152_A     1.438     0    0.036   1.244     7.684   79.286   59.418
LGA    N   153_A      N   153_A     1.195     0    0.046   0.077     1.376   81.429   81.429
LGA    A   154_A      A   154_A     0.954     0    0.064   0.082     1.446   85.952   86.857
LGA    Q   155_A      Q   155_A     0.844     0    0.042   0.934     2.278   90.476   84.762
LGA    F   156_A      F   156_A     0.796     0    0.015   0.173     1.407   90.476   88.009
LGA    I   157_A      I   157_A     0.498     0    0.031   0.075     0.800   92.857   95.238
LGA    Y   158_A      Y   158_A     0.732     0    0.346   0.450     2.615   82.143   87.698
LGA    D   159_A      D   159_A     0.780     0    0.111   1.244     6.753   75.952   53.155
LGA    K   160_A      K   160_A     2.382     0    0.646   1.041     3.941   58.214   65.503
LGA    K   161_A      K   161_A     8.256     0    0.022   0.938    16.354    7.619    3.386
LGA    K   162_A      K   162_A    10.508     0    0.213   1.093    13.637    0.119   11.323
LGA    N   163_A      N   163_A    15.451     0    0.572   1.296    17.104    0.000    0.000
LGA    S   164_A      S   164_A    18.177     0    0.193   0.257    18.888    0.000    0.000
LGA    S   165_A      S   165_A    18.980     0    0.518   0.676    19.669    0.000    0.000
LGA    S   166_A      S   166_A    19.618     0    0.653   0.907    21.288    0.000    0.000
LGA    V   167_A      V   167_A    22.202     0    0.623   0.729    24.829    0.000    0.000
LGA    D   168_A      D   168_A    17.433     0    0.649   0.954    18.876    0.000    0.000
LGA    K   169_A      K   169_A    16.312     0    0.057   0.853    19.701    0.000    0.159
LGA    L   170_A      L   170_A    20.588     0    0.023   0.660    24.102    0.000    0.000
LGA    A   171_A      A   171_A    24.007     0    0.057   0.057    26.566    0.000    0.000
LGA    A   172_A      A   172_A    24.291     0    0.020   0.023    26.067    0.000    0.000
LGA    A   173_A      A   173_A    24.950     0    0.620   0.555    26.136    0.000    0.000
LGA    L   174_A      L   174_A    28.162     0    0.199   1.029    33.628    0.000    0.000
LGA    E   175_A      E   175_A    25.471     0    0.689   1.037    26.242    0.000    0.000
LGA    H   176_A      H   176_A    23.697     0    0.655   0.874    24.938    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      176     704    704  100.00    1334   1334  100.00               176
SUMMARY(RMSD_GDC):    12.828         12.847                 12.907           59.383   55.722

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  176  176    4.0    133    1.85    64.205    64.625     6.835

LGA_LOCAL      RMSD:   1.846  Number of atoms:  133  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.687  Number of assigned atoms:  176 
Std_ASGN_ATOMS RMSD:  12.828  Standard rmsd on all 176 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.125850 * X  +  -0.093065 * Y  +  -0.987674 * Z  +   1.930808
  Y_new =  -0.581992 * X  +  -0.813191 * Y  +   0.002467 * Z  +  -2.986639
  Z_new =  -0.803397 * X  +   0.574508 * Y  +  -0.156503 * Z  +   1.473077 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.357835  0.932979  1.836755   [DEG:  -77.7982   53.4558  105.2383 ]
ZXZ: -1.573294  1.727945 -0.950009   [DEG:  -90.1431   99.0040  -54.4315 ]
 
# END of job
