
#######################################################
#                                                     #
#                        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  175 ( 1482),  selected  173 , name one
# Molecule2: number of CA atoms  173 ( 1441),  selected  173 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   166       3_A - 168_A       4.87     6.25
  LONGEST_CONTINUOUS_SEGMENT:   166       4_A - 169_A       4.97     6.21
  LCS_AVERAGE:     93.35

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   122       4_A - 125_A       2.00     6.19
  LONGEST_CONTINUOUS_SEGMENT:   122       5_A - 126_A       1.98     6.19
  LONGEST_CONTINUOUS_SEGMENT:   122       6_A - 127_A       1.98     6.18
  LONGEST_CONTINUOUS_SEGMENT:   122       7_A - 128_A       2.00     6.18
  LCS_AVERAGE:     55.72

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      42_A - 70_A        0.99     6.33
  LONGEST_CONTINUOUS_SEGMENT:    29      43_A - 71_A        0.96     6.28
  LCS_AVERAGE:     11.44

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  173
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_B     G     3_A      3   68  166      0    3    3    3   10   15   19   47   63   88  112  130  140  142  145  146  150  152  155  155 
LCS_GDT     R     4_B     R     4_A     17  122  166      6   15   38   59   88  102  116  123  128  134  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     H     5_B     H     5_A     17  122  166      8   27   44   61   90  106  116  123  131  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     S     6_B     S     6_A     17  122  166     10   37   67   93  106  114  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     V     7_B     V     7_A     17  122  166     19   44   84  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     V     8_B     V     8_A     17  122  166      9   47   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     R     9_B     R     9_A     17  122  166     16   47   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     V    10_B     V    10_A     17  122  166     16   55   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     E    11_B     E    11_A     17  122  166     10   44   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     G    12_B     G    12_A     17  122  166     12   48   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     D    13_B     D    13_A     17  122  166     17   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     R    14_B     R    14_A     17  122  166     19   55   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     A    15_B     A    15_A     17  122  166     15   49   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     I    16_B     I    16_A     17  122  166     18   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     K    17_B     K    17_A     17  122  166     19   52   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     Q    18_B     Q    18_A     17  122  166     19   44   84  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     F    19_B     F    19_A     17  122  166     19   40   74   97  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     F    20_B     F    20_A     17  122  166      8   38   66   92  105  113  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     P    21_B     P    21_A     17  122  166      3    6   19   44   70   82  105  115  123  130  136  140  144  146  148  150  150  153  155  156 
LCS_GDT     A    22_B     A    22_A     19  122  166      9   46   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     Y    23_B     Y    23_A     19  122  166     12   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     R    24_B     R    24_A     19  122  166     12   51   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     Y    25_B     Y    25_A     19  122  166      4   33   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     N    26_B     N    26_A     19  122  166     11   57   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     F    27_B     F    27_A     19  122  166     12   51   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     W    28_B     W    28_A     19  122  166     12   57   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     K    29_B     K    29_A     19  122  166     19   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     E    30_B     E    30_A     19  122  166     17   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     A    31_B     A    31_A     19  122  166     12   44   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     G    32_B     G    32_A     19  122  166     12   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     F    33_B     F    33_A     19  122  166     21   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     L    34_B     L    34_A     19  122  166     16   49   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     S    35_B     S    35_A     19  122  166     12   32   81  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     L    36_B     L    36_A     19  122  166     15   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     L    37_B     L    37_A     19  122  166     11   35   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     Q    38_B     Q    38_A     19  122  166      3   19   52   91  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     E    39_B     E    39_A     19  122  166      6   26   76  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     F    40_B     F    40_A     19  122  166      3    9   20   38   76  103  118  128  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     D    41_B     D    41_A     18  122  166      0   13   18   38   59  103  117  125  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     F    42_B     F    42_A     29  122  166      9   36   63   93  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     V    43_B     V    43_A     29  122  166     19   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     P    44_B     P    44_A     29  122  166     21   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     R    45_B     R    45_A     29  122  166      9   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     L    46_B     L    46_A     29  122  166     14   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     Y    47_B     Y    47_A     29  122  166     21   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     S    48_B     S    48_A     29  122  166     19   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     I    49_B     I    49_A     29  122  166     19   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     N    50_B     N    50_A     29  122  166     19   47   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     P    51_B     P    51_A     29  122  166     19   42   81  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     E    52_B     E    52_A     29  122  166     19   44   81  100  106  114  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     K    53_B     K    53_A     29  122  166     19   46   84  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     L    54_B     L    54_A     29  122  166     19   47   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     E    55_B     E    55_A     29  122  166     19   47   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     I    56_B     I    56_A     29  122  166     19   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     E    57_B     E    57_A     29  122  166     21   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     M    58_B     M    58_A     29  122  166     21   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     E    59_B     E    59_A     29  122  166     19   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     F    60_B     F    60_A     29  122  166     19   55   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     I    61_B     I    61_A     29  122  166     12   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     E    62_B     E    62_A     29  122  166     14   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     G    63_B     G    63_A     29  122  166     16   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     R    64_B     R    64_A     29  122  166     17   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     P    65_B     P    65_A     29  122  166     21   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     I    66_B     I    66_A     29  122  166     13   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     K    67_B     K    67_A     29  122  166      6   57   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     D    68_B     D    68_A     29  122  166     21   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     V    69_B     V    69_A     29  122  166     13   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     I    70_B     I    70_A     29  122  166      5   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     N    71_B     N    71_A     29  122  166     14   56   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     E    72_B     E    72_A     18  122  166      7   48   82  100  105  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     L    73_B     L    73_A     18  122  166      5   21   80  100  105  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     N    74_B     N    74_A     23  122  166      0   13   32   56   83  110  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     S    75_B     S    75_A     24  122  166      3   20   49   82  103  114  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     E    76_B     E    76_A     24  122  166      9   20   39   73   99  114  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     T    77_B     T    77_A     24  122  166      9   20   37   73  101  114  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     I    78_B     I    78_A     24  122  166      9   26   74   98  105  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     G    79_B     G    79_A     24  122  166      9   47   82  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     R    80_B     R    80_A     24  122  166      9   35   79  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     I    81_B     I    81_A     24  122  166      7   36   84  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     L    82_B     L    82_A     24  122  166     10   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     D    83_B     D    83_A     24  122  166     15   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     I    84_B     I    84_A     24  122  166     15   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     C    85_B     C    85_A     24  122  166     15   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     R    86_B     R    86_A     24  122  166     21   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     K    87_B     K    87_A     24  122  166     21   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     L    88_B     L    88_A     24  122  166     21   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     D    89_B     D    89_A     24  122  166     21   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     V    90_B     V    90_A     24  122  166     21   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     L    91_B     L    91_A     24  122  166     17   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     G    92_B     G    92_A     24  122  166     16   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     I    93_B     I    93_A     24  122  166     17   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     Q    94_B     Q    94_A     24  122  166     21   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     K    95_B     K    95_A     24  122  166     12   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     E    96_B     E    96_A     24  122  166     12   56   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     E    97_B     E    97_A     24  122  166      4   30   58   92  103  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     M    98_B     M    98_A     24  122  166     15   48   84  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     N    99_B     N    99_A     19  122  166      4    5   14   27   62  104  121  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     H   100_B     H   100_A      4  122  166      3    4   31   56   71   88  104  112  123  130  137  140  144  146  148  150  151  153  155  156 
LCS_GDT     P   101_B     P   101_A      4  122  166      3   14   33   79  105  113  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     D   102_B     D   102_A     22  122  166     13   46   78   98  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     R   103_B     R   103_A     22  122  166      3   23   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     H   104_B     H   104_A     22  122  166     20   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     I   105_B     I   105_A     22  122  166     17   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     I   106_B     I   106_A     22  122  166     21   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     I   107_B     I   107_A     22  122  166     20   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     S   108_B     S   108_A     22  122  166      9   51   84  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     D   109_B     D   109_A     22  122  166      5   56   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     R   110_B     R   110_A     22  122  166     10   49   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     I   111_B     I   111_A     22  122  166     15   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     V   112_B     V   112_A     22  122  166     21   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     F   113_B     F   113_A     22  122  166     21   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     I   114_B     I   114_A     22  122  166     16   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     D   115_B     D   115_A     22  122  166     17   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     F   116_B     F   116_A     22  122  166     21   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     E   117_B     E   117_A     22  122  166     13   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     R   118_B     R   118_A     22  122  166     21   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     G   119_B     G   119_A     22  122  166     21   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     V   120_B     V   120_A     22  122  166     19   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     I   121_B     I   121_A     22  122  166     21   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     K   122_B     K   122_A     22  122  166     21   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     C   123_B     C   123_A     22  122  166     19   58   86  100  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     R   124_B     R   124_A     21  122  166      4    8   28   94  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     P   125_B     P   125_A      5  122  166      4    5    9   21   26   32   78   88  129  135  138  140  144  146  148  150  151  153  155  156 
LCS_GDT     S   126_B     S   126_A     15  122  166      4    5   10   23   48  103  118  126  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     N   127_B     N   127_A     15  122  166      4   12   18   36   48   95  118  127  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     L   128_B     L   128_A     15  122  166      8   13   32   55   92  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     T   129_B     T   129_A     15  110  166      7   13   32   55   96  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     Q   130_B     Q   130_A     15  110  166      5   13   34   76  105  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     F   131_B     F   131_A     15  110  166      8   15   40   88  105  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     A   132_B     A   132_A     15   77  166      8   15   35   67  104  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     V   133_B     V   133_A     15   40  166      8   15   35   67  104  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     Y   134_B     Y   134_A     15   40  166      8   15   32   67  101  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     L   135_B     L   135_A     15   40  166      8   15   35   67   95  114  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     N   136_B     N   136_A     15   40  166      8   15   35   64   85  114  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     S   137_B     S   137_A     15   40  166      8   15   35   67   86  114  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     R   138_B     R   138_A     15   40  166      8   13   31   55   83  101  118  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     L   139_B     L   139_A     15   40  166      5   13   18   45   78   97  118  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     R   140_B     R   140_A     15   40  166      8   13   32   60   83  107  120  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     L   141_B     L   141_A      3   18  166      3    3    4   10   20   27   37   45   84  131  134  136  141  144  148  150  151  153  155  156 
LCS_GDT     M   142_B     M   142_A      3   18  166      3    4    7   13   21   27   33   57   85  109  122  137  142  146  148  150  151  153  155  156 
LCS_GDT     K   143_B     K   143_A     16   18  166      7   16   16   16   17   20   27   34   46   65  107  123  140  145  148  150  151  153  155  156 
LCS_GDT     N   144_B     N   144_A     16   18  166     11   16   16   17   20   25   82   96  114  118  121  136  144  146  148  150  151  153  155  156 
LCS_GDT     E   145_B     E   145_A     16   18  166      9   16   16   17   19   22   29   34   36   38   40   45   89   98  105  124  128  141  153  156 
LCS_GDT     E   146_B     E   146_A     16   18  166      9   16   16   16   19   20   28   34   36   38   41   48   53   63   77  126  131  145  153  156 
LCS_GDT     L   147_B     L   147_A     16   18  166     12   16   16   17   20   27   32   55   78  109  131  140  144  146  148  150  151  153  155  156 
LCS_GDT     K   148_B     K   148_A     16   18  166     12   16   16   17   20   25   29   55   74   88  109  119  125  137  144  148  151  153  155  156 
LCS_GDT     K   149_B     K   149_A     16   18  166     12   16   16   17   20   25   29   34   36   38   41   46   51   63   75  111  120  130  149  156 
LCS_GDT     L   150_B     L   150_A     16   18  166     12   16   16   17   20   25   29   34   37   45   58   71  107  138  144  148  151  153  155  156 
LCS_GDT     L   151_B     L   151_A     16   18  166     12   16   16   17   20   33   79   96  114  117  131  140  144  146  148  150  151  153  155  156 
LCS_GDT     R   152_B     R   152_A     16   18  166     12   16   16   17   20   25   29   34   36   38   71   77   89   98  135  139  145  150  153  156 
LCS_GDT     E   153_B     E   153_A     16   18  166     12   16   16   17   20   25   29   34   36   41   48   56   62   77   88  139  142  150  151  156 
LCS_GDT     Y   154_B     Y   154_A     16   18  166     12   16   16   17   20   25   43   55   70   86  129  133  142  146  148  150  151  153  155  156 
LCS_GDT     K   155_B     K   155_A     16   18  166     12   16   16   17   20   25   46   55   58   88  104  122  130  141  146  149  151  153  155  156 
LCS_GDT     K   156_B     K   156_A     16   18  166     12   16   16   17   20   25   29   34   36   41   48   56   62   74  135  139  142  150  151  156 
LCS_GDT     G   157_B     G   157_A     16   18  166     12   16   16   17   20   25   29   34   37   43   53   94  107  137  141  143  145  150  153  156 
LCS_GDT     F   158_B     F   158_A     16   18  166     12   16   16   17   19   33   87  109  118  127  135  140  144  146  148  150  151  153  155  156 
LCS_GDT     D   159_B     D   159_A      9   18  166      4    7   39   62   92  106  111  121  131  135  138  140  144  146  148  150  151  153  155  156 
LCS_GDT     D   160_B     D   160_A     13   18  166      4   10   17   85  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     E   161_B     E   161_A     13   18  166      4    9   13   28   66   83  112  121  131  135  138  141  143  145  148  150  151  153  155  156 
LCS_GDT     S   162_B     S   162_A     13   18  166      4    8   13   15   17   49   73   87  111  132  137  141  143  145  148  150  151  153  155  156 
LCS_GDT     Y   163_B     Y   163_A     13   18  166      6   19   63   94  106  115  123  129  134  135  138  141  144  146  148  150  151  153  155  156 
LCS_GDT     R   164_B     R   164_A     13   18  166      6   10   17   25   44   82  108  122  128  135  138  141  143  145  146  148  150  152  155  155 
LCS_GDT     E   165_B     E   165_A     13   18  166      6   10   14   15   17   19   21   40   96  118  130  136  142  145  146  147  147  150  153  155 
LCS_GDT     L   166_B     L   166_A     13   18  166      6   10   14   15   17   19   24   82  114  128  135  141  142  145  146  147  148  152  154  155 
LCS_GDT     R   167_B     R   167_A     13   18  166      6   10   14   15   35   44   82  104  123  130  138  141  142  145  146  147  148  152  154  155 
LCS_GDT     T   168_B     T   168_A     13   18  166      6   10   14   15   17   19   22   24   42   50   72  114  129  139  144  147  147  149  150  152 
LCS_GDT     Q   169_B     Q   169_A     13   18  166      6   10   14   15   17   19   21   24   29   36   61   69   91   96  107  141  145  149  150  150 
LCS_GDT     I   170_B     I   170_A     13   18   36      6   10   14   15   17   19   21   24   29   34   61   83  123  136  142  147  147  149  150  150 
LCS_GDT     L   171_B     L   171_A     13   18   36      6   10   14   15   17   19   22   24   29   35   44   55   59   86  137  141  145  149  150  150 
LCS_GDT     Q   172_B     Q   172_A     13   18   36      6   10   14   15   17   19   22   24   29   32   36   39   42   44   73   83   89   95  134  139 
LCS_GDT     Y   173_B     Y   173_A     13   18   36      4   10   14   15   17   19   21   24   29   32   33   39   42   44   49   55   64   95  108  117 
LCS_GDT     M   174_B     M   174_A     13   18   36      4    8   14   15   17   19   21   24   29   32   33   39   42   44   49   55   64   66   96  117 
LCS_GDT     K   175_B     K   175_A      3   18   36      0    3    3   12   17   19   21   24   29   32   33   33   36   41   46   55   64   66   70   72 
LCS_AVERAGE  LCS_A:  53.50  (  11.44   55.72   93.35 )

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     21     58     86    100    106    115    123    129    134    135    138    141    144    146    148    150    151    153    155    156 
GDT PERCENT_AT  12.14  33.53  49.71  57.80  61.27  66.47  71.10  74.57  77.46  78.03  79.77  81.50  83.24  84.39  85.55  86.71  87.28  88.44  89.60  90.17
GDT RMS_LOCAL    0.38   0.70   0.97   1.17   1.31   1.59   1.77   1.99   2.11   2.15   2.29   2.55   2.76   2.93   3.03   3.18   3.36   3.50   3.63   3.90
GDT RMS_ALL_AT   6.25   6.24   6.21   6.20   6.20   6.15   6.15   6.16   6.17   6.17   6.17   6.17   6.17   6.18   6.16   6.17   6.18   6.20   6.19   6.27

# Checking swapping
#   possible swapping detected:  E    39_B      E    39_A
#   possible swapping detected:  D    41_B      D    41_A
#   possible swapping detected:  E    59_B      E    59_A
#   possible swapping detected:  F    60_B      F    60_A
#   possible swapping detected:  E    62_B      E    62_A
#   possible swapping detected:  E    76_B      E    76_A
#   possible swapping detected:  D    89_B      D    89_A
#   possible swapping detected:  D   102_B      D   102_A
#   possible swapping detected:  F   116_B      F   116_A
#   possible swapping detected:  Y   134_B      Y   134_A
#   possible swapping detected:  E   153_B      E   153_A
#   possible swapping detected:  Y   154_B      Y   154_A
#   possible swapping detected:  F   158_B      F   158_A
#   possible swapping detected:  Y   173_B      Y   173_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_B      G     3_A    10.566     0    0.270   0.270    10.958    2.381    2.381
LGA    R     4_B      R     4_A     5.803     0    0.555   1.281     7.167   18.571   27.879
LGA    H     5_B      H     5_A     5.321     0    0.178   1.125     9.499   27.500   18.571
LGA    S     6_B      S     6_A     3.570     0    0.066   0.137     4.272   43.452   48.016
LGA    V     7_B      V     7_A     2.373     0    0.026   0.047     2.791   66.905   66.054
LGA    V     8_B      V     8_A     1.406     0    0.060   0.111     1.879   77.143   80.272
LGA    R     9_B      R     9_A     1.137     0    0.080   1.074     7.929   85.952   57.316
LGA    V    10_B      V    10_A     0.785     0    0.086   1.165     2.346   83.690   77.959
LGA    E    11_B      E    11_A     1.346     0    0.065   1.112     7.078   85.952   58.042
LGA    G    12_B      G    12_A     1.112     0    0.613   0.613     3.886   69.762   69.762
LGA    D    13_B      D    13_A     0.295     0    0.095   1.218     5.191   90.595   72.738
LGA    R    14_B      R    14_A     0.899     0    0.118   1.175     2.900   90.476   81.082
LGA    A    15_B      A    15_A     0.857     0    0.036   0.047     1.009   95.238   92.476
LGA    I    16_B      I    16_A     0.551     0    0.098   1.155     3.766   90.595   77.381
LGA    K    17_B      K    17_A     1.418     0    0.025   0.088     2.448   77.143   73.915
LGA    Q    18_B      Q    18_A     2.467     0    0.082   0.526     4.370   59.167   52.751
LGA    F    19_B      F    19_A     3.230     0    0.116   0.165     3.404   51.786   52.597
LGA    F    20_B      F    20_A     3.938     0    0.659   1.429     5.389   37.381   37.403
LGA    P    21_B      P    21_A     7.094     0    0.676   0.692    10.131   18.690   11.565
LGA    A    22_B      A    22_A     2.063     0    0.145   0.145     3.631   63.571   70.857
LGA    Y    23_B      Y    23_A     1.370     0    0.438   0.308     6.881   77.143   46.667
LGA    R    24_B      R    24_A     1.625     0    0.044   1.595     5.631   72.976   58.442
LGA    Y    25_B      Y    25_A     1.474     0    0.027   0.254     2.716   77.143   73.770
LGA    N    26_B      N    26_A     1.479     0    0.097   0.914     2.413   81.429   77.262
LGA    F    27_B      F    27_A     1.473     0    0.033   0.064     2.133   81.429   73.030
LGA    W    28_B      W    28_A     0.910     0    0.103   0.951     5.013   85.952   66.701
LGA    K    29_B      K    29_A     0.480     0    0.042   0.413     2.571   92.857   84.868
LGA    E    30_B      E    30_A     1.076     0    0.039   0.857     2.180   83.690   80.635
LGA    A    31_B      A    31_A     1.296     0    0.037   0.038     1.522   81.429   79.714
LGA    G    32_B      G    32_A     0.871     0    0.035   0.035     0.875   90.476   90.476
LGA    F    33_B      F    33_A     0.389     0    0.033   0.134     0.823   97.619   96.537
LGA    L    34_B      L    34_A     0.988     0    0.037   0.193     1.687   85.952   83.750
LGA    S    35_B      S    35_A     1.482     0    0.020   0.738     3.063   81.429   74.762
LGA    L    36_B      L    36_A     0.740     0    0.112   1.420     3.712   90.476   75.357
LGA    L    37_B      L    37_A     1.206     0    0.170   1.439     3.599   77.381   67.679
LGA    Q    38_B      Q    38_A     2.245     0    0.083   1.465     6.603   64.881   45.503
LGA    E    39_B      E    39_A     1.892     0    0.206   0.664     4.167   67.143   61.958
LGA    F    40_B      F    40_A     4.393     0    0.578   0.502     6.544   31.310   35.238
LGA    D    41_B      D    41_A     4.685     0    0.501   1.107     5.837   34.524   35.417
LGA    F    42_B      F    42_A     3.000     0    0.662   0.462     5.483   53.571   45.671
LGA    V    43_B      V    43_A     1.123     0    0.059   1.067     3.356   85.952   78.299
LGA    P    44_B      P    44_A     0.451     0    0.055   0.141     1.034   95.238   93.265
LGA    R    45_B      R    45_A     1.218     0    0.061   1.012     4.268   81.429   67.186
LGA    L    46_B      L    46_A     1.244     0    0.128   0.318     1.944   79.286   79.286
LGA    Y    47_B      Y    47_A     1.007     0    0.087   0.285     1.653   83.690   82.262
LGA    S    48_B      S    48_A     1.258     0    0.038   0.733     1.568   81.429   80.000
LGA    I    49_B      I    49_A     1.497     0    0.079   1.078     3.547   75.119   67.500
LGA    N    50_B      N    50_A     2.303     0    0.047   0.252     2.909   60.952   61.905
LGA    P    51_B      P    51_A     3.022     0    0.036   0.228     3.428   51.786   51.020
LGA    E    52_B      E    52_A     3.219     3    0.097   0.589     4.930   50.000   31.270
LGA    K    53_B      K    53_A     2.849     0    0.136   0.737     5.101   57.143   52.328
LGA    L    54_B      L    54_A     2.452     0    0.049   0.125     2.644   62.857   60.952
LGA    E    55_B      E    55_A     2.202     0    0.083   0.182     2.576   68.810   64.021
LGA    I    56_B      I    56_A     1.230     0    0.050   0.136     1.950   83.810   81.607
LGA    E    57_B      E    57_A     0.612     0    0.049   0.257     1.566   90.476   86.508
LGA    M    58_B      M    58_A     0.447     0    0.020   0.660     1.559   97.619   93.036
LGA    E    59_B      E    59_A     0.710     0    0.134   1.010     2.394   92.857   82.804
LGA    F    60_B      F    60_A     1.063     0    0.040   0.496     2.790   83.690   74.675
LGA    I    61_B      I    61_A     0.983     0    0.034   0.686     1.701   90.476   84.881
LGA    E    62_B      E    62_A     0.811     0    0.032   0.728     3.688   88.214   77.407
LGA    G    63_B      G    63_A     0.745     0    0.082   0.082     1.236   88.214   88.214
LGA    R    64_B      R    64_A     0.537     0    0.086   0.349     1.238   92.857   89.697
LGA    P    65_B      P    65_A     0.372     0    0.039   0.425     1.283   90.714   91.973
LGA    I    66_B      I    66_A     1.705     0    0.046   1.293     4.365   72.976   68.512
LGA    K    67_B      K    67_A     2.198     0    0.078   0.754     3.314   64.881   64.074
LGA    D    68_B      D    68_A     1.401     0    0.213   0.562     1.983   79.286   79.286
LGA    V    69_B      V    69_A     1.771     0    0.155   0.152     1.784   72.857   72.857
LGA    I    70_B      I    70_A     2.267     0    0.047   1.334     4.652   68.810   60.833
LGA    N    71_B      N    71_A     1.302     0    0.188   1.341     4.358   81.548   72.798
LGA    E    72_B      E    72_A     1.155     0    0.225   0.472     2.290   81.548   80.635
LGA    L    73_B      L    73_A     2.148     0    0.616   0.538     4.369   66.905   56.071
LGA    N    74_B      N    74_A     3.678     0    0.630   1.281     8.845   46.905   28.929
LGA    S    75_B      S    75_A     2.819     0    0.292   0.706     4.084   51.786   47.937
LGA    E    76_B      E    76_A     3.089     0    0.037   0.995     5.916   55.476   46.349
LGA    T    77_B      T    77_A     2.790     0    0.033   1.110     5.253   62.976   56.122
LGA    I    78_B      I    78_A     1.456     0    0.042   1.008     3.764   81.548   72.798
LGA    G    79_B      G    79_A     1.118     0    0.038   0.038     1.199   83.690   83.690
LGA    R    80_B      R    80_A     1.279     0    0.058   1.316     3.722   88.333   76.970
LGA    I    81_B      I    81_A     1.159     0    0.085   1.171     4.053   81.429   70.893
LGA    L    82_B      L    82_A     1.292     0    0.048   0.328     2.154   79.286   75.060
LGA    D    83_B      D    83_A     1.402     0    0.063   0.139     2.055   81.429   76.131
LGA    I    84_B      I    84_A     0.945     0    0.027   1.249     3.010   83.690   74.643
LGA    C    85_B      C    85_A     1.356     0    0.038   0.051     1.686   79.286   80.000
LGA    R    86_B      R    86_A     1.746     0    0.071   1.151    10.171   72.857   42.208
LGA    K    87_B      K    87_A     1.550     0    0.049   0.707     2.916   72.857   68.519
LGA    L    88_B      L    88_A     1.558     0    0.029   1.377     4.152   75.000   69.524
LGA    D    89_B      D    89_A     1.549     0    0.062   1.075     4.710   72.857   64.821
LGA    V    90_B      V    90_A     1.549     0    0.038   0.820     3.003   72.857   69.592
LGA    L    91_B      L    91_A     1.302     0    0.092   0.379     1.707   77.143   85.060
LGA    G    92_B      G    92_A     1.661     0    0.067   0.067     1.715   75.000   75.000
LGA    I    93_B      I    93_A     1.744     0    0.064   0.609     1.833   72.857   72.857
LGA    Q    94_B      Q    94_A     1.794     0    0.108   1.022     4.499   72.857   60.635
LGA    K    95_B      K    95_A     1.606     0    0.624   0.957     4.406   61.905   55.873
LGA    E    96_B      E    96_A     1.516     0    0.640   0.744     2.840   71.071   70.317
LGA    E    97_B      E    97_A     2.650     0    0.198   0.603     4.284   66.905   51.799
LGA    M    98_B      M    98_A     1.627     0    0.467   1.282     4.642   70.833   61.548
LGA    N    99_B      N    99_A     3.848     0    0.569   0.817     6.420   35.476   35.179
LGA    H   100_B      H   100_A     6.422     0    0.520   1.160    14.531   21.667    8.952
LGA    P   101_B      P   101_A     3.562     0    0.278   0.529     4.453   53.810   52.381
LGA    D   102_B      D   102_A     1.470     0    0.505   1.281     5.231   72.024   55.952
LGA    R   103_B      R   103_A     2.147     0    0.139   1.260     6.478   72.976   42.684
LGA    H   104_B      H   104_A     1.066     0    0.246   0.812     4.077   88.214   68.667
LGA    I   105_B      I   105_A     1.111     0    0.101   0.151     2.687   88.214   77.560
LGA    I   106_B      I   106_A     0.634     0    0.064   0.166     1.149   90.476   89.345
LGA    I   107_B      I   107_A     0.813     0    0.030   1.332     4.610   85.952   72.560
LGA    S   108_B      S   108_A     1.586     0    0.039   0.638     1.967   77.143   75.714
LGA    D   109_B      D   109_A     1.536     0    0.114   1.210     4.119   84.048   70.060
LGA    R   110_B      R   110_A     1.027     0    0.067   0.904     5.992   85.952   62.857
LGA    I   111_B      I   111_A     0.385     0    0.101   1.036     2.822   97.619   84.643
LGA    V   112_B      V   112_A     0.376     0    0.034   1.070     2.472   95.238   87.211
LGA    F   113_B      F   113_A     0.830     0    0.050   0.641     4.302   90.476   72.078
LGA    I   114_B      I   114_A     0.803     0    0.661   0.579     2.926   79.881   85.179
LGA    D   115_B      D   115_A     1.465     0    0.301   0.477     2.255   75.119   74.048
LGA    F   116_B      F   116_A     0.764     0    0.098   0.640     3.923   90.476   72.900
LGA    E   117_B      E   117_A     1.448     0    0.142   0.999     5.695   81.429   62.804
LGA    R   118_B      R   118_A     1.572     0    0.263   1.249    11.888   75.000   39.134
LGA    G   119_B      G   119_A     1.384     0    0.090   0.090     1.465   81.429   81.429
LGA    V   120_B      V   120_A     1.758     0    0.064   1.227     4.149   72.857   64.490
LGA    I   121_B      I   121_A     1.647     0    0.102   0.594     2.562   70.833   70.952
LGA    K   122_B      K   122_A     1.642     0    0.044   1.026     4.647   77.143   66.667
LGA    C   123_B      C   123_A     1.313     0    0.070   0.073     3.074   77.143   71.905
LGA    R   124_B      R   124_A     2.536     0    0.245   0.893    10.000   69.048   37.143
LGA    P   125_B      P   125_A     5.782     0    0.677   0.660     8.922   33.571   22.177
LGA    S   126_B      S   126_A     4.337     0    0.585   0.828     5.299   31.667   36.825
LGA    N   127_B      N   127_A     4.244     0    0.031   0.995     4.429   40.238   45.357
LGA    L   128_B      L   128_A     3.106     0    0.068   1.375     3.423   53.571   52.679
LGA    T   129_B      T   129_A     3.052     0    0.048   1.173     5.009   53.571   45.986
LGA    Q   130_B      Q   130_A     2.418     0    0.044   0.930     2.588   62.857   71.587
LGA    F   131_B      F   131_A     2.211     0    0.088   0.131     2.616   62.857   62.684
LGA    A   132_B      A   132_A     2.720     0    0.059   0.057     2.986   57.143   57.143
LGA    V   133_B      V   133_A     2.738     0    0.034   0.112     2.894   57.143   57.143
LGA    Y   134_B      Y   134_A     2.990     0    0.028   1.481    12.195   53.571   27.659
LGA    L   135_B      L   135_A     3.229     0    0.036   0.816     5.590   48.452   44.821
LGA    N   136_B      N   136_A     3.768     0    0.053   0.381     5.558   43.333   36.845
LGA    S   137_B      S   137_A     3.776     0    0.077   0.747     3.875   43.333   43.333
LGA    R   138_B      R   138_A     4.553     0    0.034   0.893     5.963   32.857   31.039
LGA    L   139_B      L   139_A     4.718     0    0.119   1.444     4.866   31.429   36.131
LGA    R   140_B      R   140_A     4.500     0    0.466   1.472     5.386   31.548   36.580
LGA    L   141_B      L   141_A     8.357     0    0.090   0.970    12.214    6.071    3.036
LGA    M   142_B      M   142_A     9.391     0    0.494   0.920    12.967    1.786    0.893
LGA    K   143_B      K   143_A     9.989     4    0.606   0.594    10.570    0.476    0.212
LGA    N   144_B      N   144_A     9.828     3    0.064   0.061    11.795    0.238    0.119
LGA    E   145_B      E   145_A    15.873     4    0.053   0.053    18.178    0.000    0.000
LGA    E   146_B      E   146_A    14.617     4    0.043   0.066    14.860    0.000    0.000
LGA    L   147_B      L   147_A     8.636     0    0.031   1.448    10.500    1.190   14.107
LGA    K   148_B      K   148_A    12.706     0    0.057   0.871    16.616    0.000    0.000
LGA    K   149_B      K   149_A    16.440     0    0.060   0.695    23.143    0.000    0.000
LGA    L   150_B      L   150_A    11.967     0    0.067   0.786    13.516    0.000    0.179
LGA    L   151_B      L   151_A     8.971     0    0.033   0.108    11.058    0.833    9.464
LGA    R   152_B      R   152_A    15.111     0    0.075   0.847    20.200    0.000    0.000
LGA    E   153_B      E   153_A    15.762     0    0.062   0.862    21.123    0.000    0.000
LGA    Y   154_B      Y   154_A     9.794     0    0.073   1.297    11.724    0.238   27.817
LGA    K   155_B      K   155_A    11.838     0    0.073   0.796    16.200    0.000    0.000
LGA    K   156_B      K   156_A    16.829     0    0.584   0.989    27.316    0.000    0.000
LGA    G   157_B      G   157_A    14.405     0    0.097   0.097    14.842    0.000    0.000
LGA    F   158_B      F   158_A     8.106     0    0.617   1.190    10.109    6.190   13.290
LGA    D   159_B      D   159_A     5.756     0    0.082   0.437     8.152   35.476   22.917
LGA    D   160_B      D   160_A     2.967     0    0.055   0.893     5.778   48.929   37.738
LGA    E   161_B      E   161_A     6.464     0    0.092   1.199    14.053   18.095    8.836
LGA    S   162_B      S   162_A     7.189     0    0.065   0.468     7.941   15.476   13.730
LGA    Y   163_B      Y   163_A     3.186     0    0.054   0.168     9.400   36.548   30.159
LGA    R   164_B      R   164_A     7.270     0    0.028   0.818    13.903    8.690    4.762
LGA    E   165_B      E   165_A    10.390     0    0.032   0.782    15.877    0.714    0.317
LGA    L   166_B      L   166_A     8.883     0    0.028   1.049    11.281    2.262    2.798
LGA    R   167_B      R   167_A     8.633     0    0.034   0.269    12.812    1.905    1.905
LGA    T   168_B      T   168_A    12.955     0    0.047   0.070    15.398    0.000    0.000
LGA    Q   169_B      Q   169_A    14.308     0    0.049   1.082    19.107    0.000    0.000
LGA    I   170_B      I   170_A    12.562     0    0.035   0.136    14.428    0.000    0.655
LGA    L   171_B      L   171_A    14.561     0    0.064   1.078    17.531    0.000    0.000
LGA    Q   172_B      Q   172_A    18.682     0    0.112   0.730    21.027    0.000    0.000
LGA    Y   173_B      Y   173_A    19.703     0    0.208   1.309    20.765    0.000    0.000
LGA    M   174_B      M   174_A    19.240     0    0.579   0.924    22.098    0.000    0.000
LGA    K   175_B      K   175_A    23.734     4    0.498   0.500    27.792    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      173     692    692  100.00    1441   1441  100.00               173
SUMMARY(RMSD_GDC):     6.107          6.172                  6.594           57.161   51.898

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  175  173    4.0    129    1.99    63.150    64.089     6.184

LGA_LOCAL      RMSD:   1.986  Number of atoms:  129  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.165  Number of assigned atoms:  173 
Std_ASGN_ATOMS RMSD:   6.107  Standard rmsd on all 173 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.916394 * X  +   0.263967 * Y  +  -0.300903 * Z  +  -8.731502
  Y_new =  -0.129651 * X  +  -0.515468 * Y  +  -0.847044 * Z  + -41.371799
  Z_new =  -0.378698 * X  +   0.815239 * Y  +  -0.438148 * Z  +   9.999008 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.140547  0.388389  2.063951   [DEG:   -8.0527   22.2531  118.2557 ]
ZXZ: -0.341334  2.024334 -0.434866   [DEG:  -19.5570  115.9858  -24.9160 ]
 
# END of job
