
#######################################################
#                                                     #
#                        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  132 ( 1072),  selected  132 , name one
# Molecule2: number of CA atoms  132 ( 1072),  selected  132 , 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:   129       4_A - 132_A       4.86     6.40
  LCS_AVERAGE:     95.71

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      12_A - 132_A       1.80     7.17
  LCS_AVERAGE:     85.19

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    56      16_A - 71_A        0.98     6.84
  LONGEST_CONTINUOUS_SEGMENT:    56      17_A - 72_A        0.98     6.84
  LONGEST_CONTINUOUS_SEGMENT:    56      18_A - 73_A        0.99     6.87
  LCS_AVERAGE:     32.74

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  132
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     H     1_A     H     1_A      5    6   11      1    5    5    5    6    7    7    9   10   10   10   10   11   11   11   11   11   11   11   12 
LCS_GDT     H     2_A     H     2_A      5    6   11      3    5    5    5    6    7    7    9   10   10   10   10   11   11   11   12   13   14   15   17 
LCS_GDT     H     3_A     H     3_A      5    6   13      3    5    5    5    6    7    7    9   10   10   10   10   11   22   25   26   29   32   35   38 
LCS_GDT     H     4_A     H     4_A      5    6  129      3    5    5    5    6    7    7    9   10   11   12   13   15   20   26   34   39   40   43   47 
LCS_GDT     H     5_A     H     5_A      5   10  129      4    5    5    7    9   10   10   13   22   26   32   35   40   43   50   57   66   77   84   92 
LCS_GDT     H     6_A     H     6_A      4   10  129      4    5    5    7    9   16   19   26   32   36   47   53   60   66   77   81   89   95  102  112 
LCS_GDT     E     7_A     E     7_A      4   10  129      4    5    5    7    9   10   10   17   20   26   31   52   60   66   77   86   93  105  110  114 
LCS_GDT     N     8_A     N     8_A      4   10  129      4    4    4    5    8   13   28   41   51   58   66   89  101  106  116  121  124  124  124  125 
LCS_GDT     L     9_A     L     9_A      4   10  129      3    4    5    7    9   10   10   11   13   18   29   38   54   59   61   77   93  115  124  125 
LCS_GDT     Y    10_A     Y    10_A      4   10  129      3    5    5    7    9   10   10   23   34   50   76   91  100  122  123  123  124  124  124  125 
LCS_GDT     F    11_A     F    11_A      4  119  129      3    4    5    7    9   10   10   23   36   50   76   91  119  122  123  123  124  124  124  125 
LCS_GDT     Q    12_A     Q    12_A      4  121  129      3    5    5    7    9   22   74  114  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     S    13_A     S    13_A      4  121  129      3    5    5    7   33   67  112  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     S    14_A     S    14_A     30  121  129      7   31   64   87  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     A    15_A     A    15_A     52  121  129      4   32   64   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     K    16_A     K    16_A     56  121  129      9   36   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     Q    17_A     Q    17_A     56  121  129      7   36   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     D    18_A     D    18_A     56  121  129      9   36   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     F    19_A     F    19_A     56  121  129     12   36   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     A    20_A     A    20_A     56  121  129     12   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     E    21_A     E    21_A     56  121  129     12   51   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     G    22_A     G    22_A     56  121  129     12   46   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     V    23_A     V    23_A     56  121  129     12   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     K    24_A     K    24_A     56  121  129     21   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     L    25_A     L    25_A     56  121  129     20   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     W    26_A     W    26_A     56  121  129     20   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     Q    27_A     Q    27_A     56  121  129     21   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     E    28_A     E    28_A     56  121  129     21   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     N    29_A     N    29_A     56  121  129     20   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     A    30_A     A    30_A     56  121  129     21   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     V    31_A     V    31_A     56  121  129     21   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     L    32_A     L    32_A     56  121  129     21   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     W    33_A     W    33_A     56  121  129     21   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     T    34_A     T    34_A     56  121  129     21   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     R    35_A     R    35_A     56  121  129     21   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     L    36_A     L    36_A     56  121  129     21   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     V    37_A     V    37_A     56  121  129     21   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     Q    38_A     Q    38_A     56  121  129     21   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     A    39_A     A    39_A     56  121  129     21   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     F    40_A     F    40_A     56  121  129     17   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     Q    41_A     Q    41_A     56  121  129     21   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     S    42_A     S    42_A     56  121  129     12   51   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     G    43_A     G    43_A     56  121  129      8   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     D    44_A     D    44_A     56  121  129      8   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     Q    45_A     Q    45_A     56  121  129      8   48   75   88  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     S    46_A     S    46_A     56  121  129      8   48   75   88  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     T    47_A     T    47_A     56  121  129     14   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     V    48_A     V    48_A     56  121  129     14   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     D    49_A     D    49_A     56  121  129     14   52   75   94  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     S    50_A     S    50_A     56  121  129     21   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     L    51_A     L    51_A     56  121  129     21   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     L    52_A     L    52_A     56  121  129     20   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     K    53_A     K    53_A     56  121  129     21   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     Q    54_A     Q    54_A     56  121  129     20   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     L    55_A     L    55_A     56  121  129     21   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     D    56_A     D    56_A     56  121  129     21   51   75   92  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     A    57_A     A    57_A     56  121  129     18   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     N    58_A     N    58_A     56  121  129     14   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     A    59_A     A    59_A     56  121  129     21   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     A    60_A     A    60_A     56  121  129     21   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     R    61_A     R    61_A     56  121  129     18   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     V    62_A     V    62_A     56  121  129     12   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     E    63_A     E    63_A     56  121  129     14   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     Q    64_A     Q    64_A     56  121  129     12   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     L    65_A     L    65_A     56  121  129     17   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     L    66_A     L    66_A     56  121  129     14   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     Q    67_A     Q    67_A     56  121  129     14   50   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     R    68_A     R    68_A     56  121  129     14   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     I    69_A     I    69_A     56  121  129     10   51   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     I    70_A     I    70_A     56  121  129     10   39   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     S    71_A     S    71_A     56  121  129     10   37   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     E    72_A     E    72_A     56  121  129     10   34   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     T    73_A     T    73_A     56  121  129      8   35   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     G    74_A     G    74_A     32  121  129      3   15   51   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     D    75_A     D    75_A      5  121  129      3    9   23   66  114  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     E    76_A     E    76_A      4  121  129      3    4    4   13   26   55  111  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     L    77_A     L    77_A     27  121  129      6   20   51   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     A    78_A     A    78_A     41  121  129     10   23   64   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     R    79_A     R    79_A     43  121  129     10   35   64   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     K    80_A     K    80_A     43  121  129     10   25   64   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     G    81_A     G    81_A     43  121  129      8   38   64   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     E    82_A     E    82_A     43  121  129     10   39   64   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     S    83_A     S    83_A     43  121  129     10   39   64   87  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     L    84_A     L    84_A     43  121  129     10   39   64   96  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     F    85_A     F    85_A     43  121  129     10   39   64   88  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     Q    86_A     Q    86_A     43  121  129     10   39   64   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     R    87_A     R    87_A     43  121  129     10   39   64   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     N    88_A     N    88_A     43  121  129     10   39   64   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     Q    89_A     Q    89_A     43  121  129      9   39   64   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     Q    90_A     Q    90_A     43  121  129      9   39   64   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     L    91_A     L    91_A     43  121  129      9   39   64   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     F    92_A     F    92_A     43  121  129      9   27   62   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     S    93_A     S    93_A     43  121  129      9   39   64   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     Q    94_A     Q    94_A     43  121  129     10   39   70   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     L    95_A     L    95_A     43  121  129      9   39   64   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     K    96_A     K    96_A     43  121  129      9   36   64   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     T    97_A     T    97_A     43  121  129      9   39   64   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     L    98_A     L    98_A     43  121  129     10   39   69   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     F    99_A     F    99_A     43  121  129      8   39   64   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     S   100_A     S   100_A     43  121  129      8   39   62   87  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     Q   101_A     Q   101_A     43  121  129      7   39   62   87  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     G   102_A     G   102_A     43  121  129     10   39   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     D   103_A     D   103_A     43  121  129     10   39   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     E   104_A     E   104_A     43  121  129     13   51   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     D   105_A     D   105_A     43  121  129     10   44   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     T   106_A     T   106_A     43  121  129     14   46   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     A   107_A     A   107_A     43  121  129     20   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     K   108_A     K   108_A     43  121  129     21   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     A   109_A     A   109_A     43  121  129     21   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     V   110_A     V   110_A     43  121  129     17   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     L   111_A     L   111_A     43  121  129     15   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     E   112_A     E   112_A     43  121  129     15   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     E   113_A     E   113_A     43  121  129     15   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     I   114_A     I   114_A     43  121  129     15   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     Q   115_A     Q   115_A     43  121  129     14   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     S   116_A     S   116_A     43  121  129     11   41   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     N   117_A     N   117_A     43  121  129     11   39   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     L   118_A     L   118_A     43  121  129     14   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     N   119_A     N   119_A     43  121  129     14   39   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     Q   120_A     Q   120_A     43  121  129     11   31   70   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     I   121_A     I   121_A     43  121  129     11   41   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     Q   122_A     Q   122_A     42  121  129     14   41   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     Q   123_A     Q   123_A     33  121  129     11   19   63   96  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     I   124_A     I   124_A     33  121  129     11   31   64   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     I   125_A     I   125_A     32  121  129     14   52   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     T   126_A     T   126_A     32  121  129     12   35   73   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     E   127_A     E   127_A     32  121  129      7   32   66   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     A   128_A     A   128_A     32  121  129     11   36   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     Q   129_A     Q   129_A     31  121  129     12   36   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     K   130_A     K   130_A     31  121  129      5   16   51   95  114  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     R   131_A     R   131_A     31  121  129      4   31   66   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_GDT     L   132_A     L   132_A     31  121  129     14   51   75   97  115  118  118  119  121  121  121  121  121  122  123  123  124  124  124  125 
LCS_AVERAGE  LCS_A:  71.21  (  32.74   85.19   95.71 )

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     52     75     97    115    118    118    119    121    121    121    121    121    122    123    123    124    124    124    125 
GDT PERCENT_AT  15.91  39.39  56.82  73.48  87.12  89.39  89.39  90.15  91.67  91.67  91.67  91.67  91.67  92.42  93.18  93.18  93.94  93.94  93.94  94.70
GDT RMS_LOCAL    0.33   0.74   1.01   1.38   1.57   1.61   1.61   1.66   1.80   1.80   1.80   1.80   1.80   2.00   2.21   2.21   2.61   2.61   2.61   2.92
GDT RMS_ALL_AT   6.61   6.76   6.96   7.24   7.23   7.23   7.23   7.25   7.17   7.17   7.17   7.17   7.17   7.10   7.04   7.04   6.91   6.91   6.91   6.83

# Checking swapping
#   possible swapping detected:  E     7_A      E     7_A
#   possible swapping detected:  F    11_A      F    11_A
#   possible swapping detected:  E    21_A      E    21_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  D    56_A      D    56_A
#   possible swapping detected:  E    63_A      E    63_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  D    75_A      D    75_A
#   possible swapping detected:  F    85_A      F    85_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  F    99_A      F    99_A
#   possible swapping detected:  E   104_A      E   104_A
#   possible swapping detected:  E   113_A      E   113_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H     1_A      H     1_A    34.232     0    0.121   1.098    35.441    0.000    0.000
LGA    H     2_A      H     2_A    33.271     0    0.051   0.210    40.457    0.000    0.000
LGA    H     3_A      H     3_A    28.657     0    0.200   1.071    30.396    0.000    0.000
LGA    H     4_A      H     4_A    29.231     0    0.568   1.110    32.479    0.000    0.000
LGA    H     5_A      H     5_A    25.727     0    0.596   1.040    26.842    0.000    0.000
LGA    H     6_A      H     6_A    24.978     0    0.141   1.125    26.776    0.000    0.000
LGA    E     7_A      E     7_A    22.653     0    0.122   0.905    26.950    0.000    0.000
LGA    N     8_A      N     8_A    16.861     0    0.205   1.405    18.651    0.000    0.000
LGA    L     9_A      L     9_A    16.637     0    0.537   1.476    22.349    0.000    0.000
LGA    Y    10_A      Y    10_A    11.024     0    0.523   1.306    13.293    0.000    1.389
LGA    F    11_A      F    11_A    10.202     0    0.046   1.334    12.201    2.976    1.082
LGA    Q    12_A      Q    12_A     5.892     0    0.053   0.914     7.679   13.214   16.243
LGA    S    13_A      S    13_A     5.743     0    0.666   0.811     7.258   26.429   20.952
LGA    S    14_A      S    14_A     2.628     0    0.546   0.834     3.594   60.952   58.651
LGA    A    15_A      A    15_A     1.799     0    0.028   0.037     2.275   75.119   73.048
LGA    K    16_A      K    16_A     1.003     0    0.023   0.835     3.703   83.690   72.857
LGA    Q    17_A      Q    17_A     1.256     0    0.063   1.110     5.789   83.690   63.228
LGA    D    18_A      D    18_A     1.016     0    0.047   1.154     3.938   81.429   75.655
LGA    F    19_A      F    19_A     0.948     0    0.030   0.073     1.065   90.476   88.831
LGA    A    20_A      A    20_A     0.659     0    0.030   0.038     0.833   90.476   90.476
LGA    E    21_A      E    21_A     0.969     0    0.047   0.986     4.343   85.952   70.159
LGA    G    22_A      G    22_A     1.246     0    0.024   0.024     1.284   81.429   81.429
LGA    V    23_A      V    23_A     1.187     0    0.027   0.093     1.338   81.429   81.429
LGA    K    24_A      K    24_A     0.783     0    0.028   1.126     4.524   90.476   77.354
LGA    L    25_A      L    25_A     0.839     0    0.043   0.264     1.058   90.476   89.345
LGA    W    26_A      W    26_A     1.086     0    0.042   1.603     8.067   83.690   59.524
LGA    Q    27_A      Q    27_A     1.079     0    0.035   1.136     4.115   81.429   74.709
LGA    E    28_A      E    28_A     0.904     0    0.035   0.818     2.773   88.214   81.852
LGA    N    29_A      N    29_A     1.008     0    0.049   1.041     3.753   85.952   72.917
LGA    A    30_A      A    30_A     1.215     0    0.036   0.039     1.264   81.429   81.429
LGA    V    31_A      V    31_A     1.143     0    0.028   0.064     1.379   83.690   82.721
LGA    L    32_A      L    32_A     0.654     0    0.037   0.938     4.054   90.476   77.381
LGA    W    33_A      W    33_A     0.644     0    0.029   1.612     7.526   90.476   64.796
LGA    T    34_A      T    34_A     0.955     0    0.023   1.130     3.457   90.476   82.109
LGA    R    35_A      R    35_A     0.819     0    0.032   1.693     9.650   90.476   52.294
LGA    L    36_A      L    36_A     0.209     0    0.042   0.307     1.276  100.000   96.488
LGA    V    37_A      V    37_A     0.473     0    0.030   0.086     1.019   95.238   91.905
LGA    Q    38_A      Q    38_A     0.999     0    0.034   0.837     2.636   90.476   81.852
LGA    A    39_A      A    39_A     0.934     0    0.038   0.041     1.085   88.214   88.667
LGA    F    40_A      F    40_A     0.455     0    0.020   0.174     2.917  100.000   80.087
LGA    Q    41_A      Q    41_A     0.814     0    0.027   0.932     4.970   88.333   68.836
LGA    S    42_A      S    42_A     1.909     0    0.031   0.596     3.488   72.976   67.778
LGA    G    43_A      G    43_A     2.058     0    0.038   0.038     3.151   63.095   63.095
LGA    D    44_A      D    44_A     2.280     0    0.040   0.199     2.951   66.786   64.821
LGA    Q    45_A      Q    45_A     2.455     0    0.059   0.250     4.452   64.762   54.444
LGA    S    46_A      S    46_A     2.583     0    0.060   0.589     2.779   60.952   62.302
LGA    T    47_A      T    47_A     1.765     0    0.039   1.125     3.296   70.833   66.190
LGA    V    48_A      V    48_A     1.530     0    0.038   0.113     1.712   72.857   75.306
LGA    D    49_A      D    49_A     2.081     0    0.037   1.146     4.579   66.786   61.667
LGA    S    50_A      S    50_A     1.852     0    0.028   0.671     3.651   75.000   69.365
LGA    L    51_A      L    51_A     1.119     0    0.021   0.908     2.618   81.429   79.583
LGA    L    52_A      L    52_A     1.535     0    0.036   0.148     1.793   75.000   73.929
LGA    K    53_A      K    53_A     1.892     0    0.030   0.960     5.508   72.857   58.148
LGA    Q    54_A      Q    54_A     1.536     0    0.029   1.004     2.658   77.143   73.122
LGA    L    55_A      L    55_A     1.297     0    0.045   1.333     3.393   77.143   71.250
LGA    D    56_A      D    56_A     2.087     0    0.040   0.630     4.048   70.833   64.405
LGA    A    57_A      A    57_A     1.610     0    0.031   0.047     1.756   77.143   76.286
LGA    N    58_A      N    58_A     1.198     0    0.034   0.417     2.158   81.429   79.345
LGA    A    59_A      A    59_A     1.686     0    0.031   0.037     1.891   75.000   74.571
LGA    A    60_A      A    60_A     1.967     0    0.051   0.051     2.080   72.857   71.238
LGA    R    61_A      R    61_A     1.311     0    0.024   1.116     7.014   79.286   58.571
LGA    V    62_A      V    62_A     1.590     0    0.024   1.040     4.025   72.857   67.755
LGA    E    63_A      E    63_A     1.714     0    0.027   0.654     2.648   72.857   71.111
LGA    Q    64_A      Q    64_A     1.756     0    0.028   1.045     3.433   72.857   69.471
LGA    L    65_A      L    65_A     1.772     0    0.026   0.983     3.854   72.857   68.155
LGA    L    66_A      L    66_A     1.682     0    0.050   0.095     2.069   72.857   71.845
LGA    Q    67_A      Q    67_A     1.363     0    0.035   0.132     1.485   81.429   81.429
LGA    R    68_A      R    68_A     1.616     0    0.035   1.063     6.903   72.857   57.749
LGA    I    69_A      I    69_A     1.717     0    0.046   0.119     2.026   72.857   71.845
LGA    I    70_A      I    70_A     1.560     0    0.031   0.064     1.770   75.000   76.071
LGA    S    71_A      S    71_A     1.042     0    0.089   0.668     1.765   79.286   80.079
LGA    E    72_A      E    72_A     1.203     0    0.037   0.981     3.202   81.429   75.132
LGA    T    73_A      T    73_A     1.726     0    0.580   1.402     5.153   69.286   58.639
LGA    G    74_A      G    74_A     2.290     0    0.355   0.355     2.908   64.881   64.881
LGA    D    75_A      D    75_A     3.030     0    0.243   0.956     9.343   48.929   29.821
LGA    E    76_A      E    76_A     4.547     0    0.160   0.310    10.258   36.786   19.206
LGA    L    77_A      L    77_A     2.308     0    0.307   1.430     4.073   64.762   67.619
LGA    A    78_A      A    78_A     1.798     0    0.034   0.046     1.962   72.857   72.857
LGA    R    79_A      R    79_A     2.001     0    0.060   1.234     4.725   68.810   61.472
LGA    K    80_A      K    80_A     2.000     0    0.620   0.976     4.792   57.857   56.508
LGA    G    81_A      G    81_A     1.725     0    0.086   0.086     1.806   72.857   72.857
LGA    E    82_A      E    82_A     2.179     0    0.049   0.609     4.603   64.762   59.471
LGA    S    83_A      S    83_A     2.602     0    0.099   0.583     2.770   62.857   60.952
LGA    L    84_A      L    84_A     2.299     0    0.031   0.878     3.405   64.762   61.071
LGA    F    85_A      F    85_A     2.408     0    0.051   1.391     5.479   64.762   55.931
LGA    Q    86_A      Q    86_A     2.142     0    0.037   1.224     3.095   64.762   65.979
LGA    R    87_A      R    87_A     2.188     0    0.054   1.115     7.304   64.762   48.701
LGA    N    88_A      N    88_A     2.035     0    0.036   0.891     2.088   64.762   73.155
LGA    Q    89_A      Q    89_A     2.033     0    0.044   1.222     2.907   64.762   70.423
LGA    Q    90_A      Q    90_A     1.957     0    0.046   1.147     2.800   70.833   75.185
LGA    L    91_A      L    91_A     1.757     0    0.063   1.043     2.848   72.857   68.929
LGA    F    92_A      F    92_A     2.013     0    0.038   1.266     4.678   68.810   63.203
LGA    S    93_A      S    93_A     2.072     0    0.070   0.069     2.117   68.810   68.810
LGA    Q    94_A      Q    94_A     1.208     0    0.033   0.732     3.357   81.429   68.254
LGA    L    95_A      L    95_A     1.541     0    0.044   0.978     2.764   75.000   76.369
LGA    K    96_A      K    96_A     1.912     0    0.028   0.761     5.486   72.857   58.942
LGA    T    97_A      T    97_A     1.957     0    0.026   0.968     3.038   70.833   72.313
LGA    L    98_A      L    98_A     1.467     0    0.032   1.085     3.671   75.000   69.524
LGA    F    99_A      F    99_A     1.890     0    0.033   1.338     5.392   68.810   56.061
LGA    S   100_A      S   100_A     2.438     0    0.064   0.061     2.575   62.857   63.492
LGA    Q   101_A      Q   101_A     2.333     0    0.639   1.151     4.528   54.524   60.370
LGA    G   102_A      G   102_A     1.588     0    0.164   0.164     2.148   70.833   70.833
LGA    D   103_A      D   103_A     1.462     0    0.077   0.213     1.565   79.286   79.286
LGA    E   104_A      E   104_A     1.100     0    0.065   0.996     5.004   81.429   61.323
LGA    D   105_A      D   105_A     1.555     0    0.039   0.117     1.815   75.000   73.929
LGA    T   106_A      T   106_A     1.959     0    0.034   1.054     3.890   72.857   63.265
LGA    A   107_A      A   107_A     1.065     0    0.029   0.037     1.344   85.952   86.857
LGA    K   108_A      K   108_A     1.128     0    0.051   1.189     5.877   81.429   70.529
LGA    A   109_A      A   109_A     1.516     0    0.046   0.047     1.828   79.286   78.000
LGA    V   110_A      V   110_A     0.674     0    0.042   1.234     2.772   92.976   83.469
LGA    L   111_A      L   111_A     0.713     0    0.054   0.117     0.888   90.476   90.476
LGA    E   112_A      E   112_A     1.023     0    0.040   0.222     1.673   88.214   82.540
LGA    E   113_A      E   113_A     0.748     0    0.033   0.866     2.581   90.476   78.254
LGA    I   114_A      I   114_A     0.654     0    0.023   0.658     2.414   90.476   87.262
LGA    Q   115_A      Q   115_A     0.784     0    0.030   0.720     3.012   90.476   77.460
LGA    S   116_A      S   116_A     0.914     0    0.101   0.577     2.420   88.214   84.683
LGA    N   117_A      N   117_A     0.933     0    0.027   1.057     3.057   90.476   81.071
LGA    L   118_A      L   118_A     0.950     0    0.047   0.196     2.056   90.476   83.869
LGA    N   119_A      N   119_A     1.371     0    0.036   0.873     2.296   79.286   76.131
LGA    Q   120_A      Q   120_A     1.565     0    0.030   1.162     2.241   77.143   75.873
LGA    I   121_A      I   121_A     0.888     0    0.031   0.615     2.626   88.214   84.048
LGA    Q   122_A      Q   122_A     1.240     0    0.053   0.944     5.354   81.548   62.646
LGA    Q   123_A      Q   123_A     2.153     0    0.024   1.147     4.071   68.810   68.254
LGA    I   124_A      I   124_A     1.772     0    0.031   1.799     4.877   77.143   65.952
LGA    I   125_A      I   125_A     0.940     0    0.049   0.648     3.673   88.214   76.905
LGA    T   126_A      T   126_A     1.566     0    0.051   1.158     4.433   79.286   74.150
LGA    E   127_A      E   127_A     1.519     0    0.061   0.856     2.823   77.143   70.370
LGA    A   128_A      A   128_A     0.733     0    0.030   0.035     0.914   90.476   90.476
LGA    Q   129_A      Q   129_A     1.590     0    0.057   1.266     4.443   72.976   65.344
LGA    K   130_A      K   130_A     2.623     0    0.084   0.889     3.536   62.976   61.746
LGA    R   131_A      R   131_A     1.754     0    0.061   1.157     4.370   77.143   72.035
LGA    L   132_A      L   132_A     1.426     0    0.555   1.468     3.566   66.310   68.750

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      132     528    528  100.00    1072   1072  100.00               132
SUMMARY(RMSD_GDC):     6.287          6.154                  7.056           69.613   64.413

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  132    4.0    119    1.66    74.053    81.539     6.776

LGA_LOCAL      RMSD:   1.656  Number of atoms:  119  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.248  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   6.287  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.335829 * X  +   0.180618 * Y  +  -0.924444 * Z  +  24.022203
  Y_new =   0.938631 * X  +  -0.017811 * Y  +  -0.344463 * Z  +  16.290009
  Z_new =  -0.078681 * X  +  -0.983392 * Y  +  -0.163552 * Z  +  -1.207567 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.914390  0.078763 -1.735602   [DEG:  109.6865    4.5128  -99.4427 ]
ZXZ: -1.214117  1.735087 -3.061753   [DEG:  -69.5638   99.4131 -175.4255 ]
 
# END of job
