
#######################################################
#                                                     #
#                        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  135 ( 1077),  selected  126 , name one
# Molecule2: number of CA atoms  126 ( 1024),  selected  126 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       7_B - 134_B       3.37     3.37
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62       7_B - 68_B        1.92     4.13
  LONGEST_CONTINUOUS_SEGMENT:    62       8_B - 69_B        2.00     4.13
  LCS_AVERAGE:     42.85

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    32      10_B - 41_B        0.99     4.08
  LONGEST_CONTINUOUS_SEGMENT:    32      11_B - 42_B        1.00     4.02
  LCS_AVERAGE:     17.71

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
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     E     7_B     E     7_B     31   62  126     12   22   38   58   83   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     E     8_B     E     8_B     31   62  126     10   22   33   55   76   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     A     9_B     A     9_B     31   62  126     13   22   38   60   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     K    10_B     K    10_B     32   62  126     13   30   57   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     E    11_B     E    11_B     32   62  126     13   30   50   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     A    12_B     A    12_B     32   62  126     13   30   55   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     I    13_B     I    13_B     32   62  126     13   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     I    14_B     I    14_B     32   62  126     13   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     A    15_B     A    15_B     32   62  126     13   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     M    16_B     M    16_B     32   62  126     16   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     L    17_B     L    17_B     32   62  126     13   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     K    18_B     K    18_B     32   62  126     13   36   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     E    19_B     E    19_B     32   62  126     13   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     W    20_B     W    20_B     32   62  126     13   36   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     Y    21_B     Y    21_B     32   62  126     11   36   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     D    22_B     D    22_B     32   62  126     13   36   54   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     A    23_B     A    23_B     32   62  126     13   30   50   72   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     M    24_B     M    24_B     32   62  126     12   30   50   70   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     N    25_B     N    25_B     32   62  126     12   30   50   70   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     E    26_B     E    26_B     32   62  126     12   30   50   72   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     G    27_B     G    27_B     32   62  126     12   30   50   70   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     D    28_B     D    28_B     32   62  126     11   36   54   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     M    29_B     M    29_B     32   62  126      8   36   54   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     E    30_B     E    30_B     32   62  126     16   36   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     K    31_B     K    31_B     32   62  126     14   36   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     L    32_B     L    32_B     32   62  126      8   36   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     R    33_B     R    33_B     32   62  126      8   36   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     S    34_B     S    34_B     32   62  126     16   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     L    35_B     L    35_B     32   62  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     V    36_B     V    36_B     32   62  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     D    37_B     D    37_B     32   62  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     P    38_B     P    38_B     32   62  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     D    39_B     D    39_B     32   62  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     A    40_B     A    40_B     32   62  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     S    41_B     S    41_B     32   62  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     F    42_B     F    42_B     32   62  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     V    43_B     V    43_B     31   62  126     16   36   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     D    44_B     D    44_B     18   62  126      8   26   47   72   83   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     A    45_B     A    45_B     13   62  126      4    4   11   43   65   81   91  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     R    46_B     R    46_B      5   62  126      4    5   11   24   62   80   92  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     T    47_B     T    47_B     17   62  126      6   24   49   70   83   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     N    48_B     N    48_B     17   62  126     11   30   54   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     Q    49_B     Q    49_B     17   62  126     12   32   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     V    50_B     V    50_B     17   62  126     12   32   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     Y    51_B     Y    51_B     17   62  126     12   35   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     D    52_B     D    52_B     17   62  126     11   39   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     K    53_B     K    53_B     17   62  126      9   32   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     D    54_B     D    54_B     17   62  126      8   35   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     Q    55_B     Q    55_B     17   62  126     14   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     F    56_B     F    56_B     17   62  126     11   29   54   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     L    57_B     L    57_B     17   62  126      8   27   54   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     Q    58_B     Q    58_B     17   62  126      8   29   54   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     M    59_B     M    59_B     17   62  126      7   24   43   70   82   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     I    60_B     I    60_B     17   62  126      7   16   39   58   76   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     K    61_B     K    61_B     17   62  126      8   18   39   58   76   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     E    62_B     E    62_B     17   62  126      7   19   39   60   76   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     A    63_B     A    63_B     17   62  126      4   22   42   64   76   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     L    64_B     L    64_B      6   62  126      3   36   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     E    65_B     E    65_B      6   62  126      3    6    6   35   68   83   97  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     Q    66_B     Q    66_B      6   62  126      3   10   31   44   67   79   95  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     D    67_B     D    67_B      6   62  126      3   32   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     L    68_B     L    68_B      4   62  126      3    4    4    7    9   14   51   88  111  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     K    69_B     K    69_B      6   62  126      4    5    6    7   11   35   68  103  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     V    70_B     V    70_B      6   47  126      4    5    6   19   44   71   88  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     E    71_B     E    71_B      6   47  126      4   13   27   55   76   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     V    72_B     V    72_B      6   47  126      4    5   25   39   65   83   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     K    73_B     K    73_B      6   47  126      3    5    8   56   76   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     S    74_B     S    74_B      6   47  126      3    8   22   55   76   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     I    75_B     I    75_B      5    8  126      3    6    8   26   55   80   91  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     D    76_B     D    76_B      5    8  126      3    6    9   31   61   81   91  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     I    77_B     I    77_B      5    8  126      3    6   13   40   62   81   90  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     E    78_B     E    78_B      5    8  126      3   14   39   51   74   88   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     Q    79_B     Q    79_B      5   49  126      3    4    8   17   50   64   84  104  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     Q    80_B     Q    80_B      5   49  126      3   16   29   44   61   80   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     P    81_B     P    81_B      4   50  126      3    6    8   21   36   62   76  104  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     D    82_B     D    82_B      4   50  126      4   17   37   62   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     G    83_B     G    83_B     15   50  126     13   39   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     D    84_B     D    84_B     15   50  126      3   18   44   69   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     V    85_B     V    85_B     15   50  126     15   36   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     V    86_B     V    86_B     27   50  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     I    87_B     I    87_B     27   50  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     V    88_B     V    88_B     27   50  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     K    89_B     K    89_B     27   50  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     V    90_B     V    90_B     27   50  126     12   35   57   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     K    91_B     K    91_B     27   50  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     V    92_B     V    92_B     27   50  126      4   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     R    93_B     R    93_B     27   50  126      4   40   61   74   84   93   98  105  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     A    94_B     A    94_B     27   50  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     T    95_B     T    95_B     27   50  126      4   30   52   69   81   89   97  105  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     M    96_B     M    96_B     27   50  126     12   30   52   69   81   88   95  105  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     V    97_B     V    97_B     27   50  126     12   30   52   63   74   87   95  105  113  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     R    98_B     R    98_B     27   50  126      3   14   46   62   74   79   92   98  112  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     Q   101_B     Q   101_B     27   50  126      3   14   46   62   74   82   92   98  112  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     E   102_B     E   102_B     27   50  126     12   30   52   69   78   88   95  105  113  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     H   103_B     H   103_B     27   50  126      5   14   46   62   74   86   95  103  113  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     V   104_B     V   104_B     27   50  126      5   30   52   69   81   89   97  105  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     F   105_B     F   105_B     27   50  126     12   36   57   73   84   90   98  105  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     E   106_B     E   106_B     27   50  126     20   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     V   107_B     V   107_B     27   50  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     V   108_B     V   108_B     27   50  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     D   109_B     D   109_B     27   50  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     T   110_B     T   110_B     27   50  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     Y   111_B     Y   111_B     27   50  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     E   112_B     E   112_B     27   50  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     F   113_B     F   113_B     27   50  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     R   114_B     R   114_B     27   50  126     10   36   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     R   115_B     R   115_B     27   50  126     12   31   56   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     K   116_B     K   116_B     27   50  126      8   32   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     G   117_B     G   117_B     27   50  126     15   36   56   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     D   118_B     D   118_B     27   50  126      8   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     S   119_B     S   119_B     27   50  126     15   36   58   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     W   120_B     W   120_B     27   50  126     10   36   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     K   121_B     K   121_B     27   50  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     I   122_B     I   122_B     27   50  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     V   123_B     V   123_B     27   50  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     K   124_B     K   124_B     27   50  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     L   125_B     L   125_B     27   50  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     V   126_B     V   126_B     27   50  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     S   127_B     S   127_B     27   50  126     10   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     E   128_B     E   128_B     27   50  126     21   40   61   74   84   93   98  106  114  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     I   129_B     I   129_B     26   50  126      3   13   45   61   77   89   95  105  113  119  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     T   130_B     T   130_B     10   50  126      4    9   20   42   67   78   90   98  105  115  121  122  123  124  124  125  125  125  126  126 
LCS_GDT     Q   131_B     Q   131_B      5   50  126      3    5    8   17   24   38   49   72   82   89  104  115  120  124  124  125  125  125  126  126 
LCS_GDT     L   132_B     L   132_B      5   50  126      3    5    7   11   50   73   84   91  100  106  119  122  123  124  124  125  125  125  126  126 
LCS_GDT     G   133_B     G   133_B      4   26  126      0    4    4    7   15   23   33   47   56   75   82   89  102  113  117  125  125  125  126  126 
LCS_GDT     S   134_B     S   134_B      3    6  126      0    3    3    4    6   16   21   30   41   51   58   80   87   98   99  104  112  120  126  126 
LCS_AVERAGE  LCS_A:  53.52  (  17.71   42.85  100.00 )

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     40     61     74     84     93     98    106    114    119    121    122    123    124    124    125    125    125    126    126 
GDT PERCENT_AT  16.67  31.75  48.41  58.73  66.67  73.81  77.78  84.13  90.48  94.44  96.03  96.83  97.62  98.41  98.41  99.21  99.21  99.21 100.00 100.00
GDT RMS_LOCAL    0.27   0.60   0.95   1.17   1.38   1.69   1.83   2.20   2.45   2.63   2.73   2.77   2.84   2.95   2.95   3.12   3.12   3.12   3.37   3.37
GDT RMS_ALL_AT   3.43   3.49   3.48   3.48   3.51   3.58   3.59   3.75   3.61   3.51   3.45   3.44   3.42   3.40   3.40   3.38   3.38   3.38   3.37   3.37

# Checking swapping
#   possible swapping detected:  E    19_B      E    19_B
#   possible swapping detected:  Y    21_B      Y    21_B
#   possible swapping detected:  E    26_B      E    26_B
#   possible swapping detected:  E    30_B      E    30_B
#   possible swapping detected:  D    37_B      D    37_B
#   possible swapping detected:  F    42_B      F    42_B
#   possible swapping detected:  Y    51_B      Y    51_B
#   possible swapping detected:  F    56_B      F    56_B
#   possible swapping detected:  E    62_B      E    62_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  D    67_B      D    67_B
#   possible swapping detected:  E    71_B      E    71_B
#   possible swapping detected:  D    84_B      D    84_B
#   possible swapping detected:  E   106_B      E   106_B
#   possible swapping detected:  Y   111_B      Y   111_B
#   possible swapping detected:  E   112_B      E   112_B
#   possible swapping detected:  D   118_B      D   118_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     2.330     0    0.277   0.962     3.615   64.762   59.841
LGA    E     8_B      E     8_B     2.654     0    0.031   0.783     4.332   60.952   53.492
LGA    A     9_B      A     9_B     2.184     0    0.050   0.055     2.509   68.810   66.476
LGA    K    10_B      K    10_B     1.372     0    0.035   1.042     2.731   79.286   74.921
LGA    E    11_B      E    11_B     1.679     0    0.020   0.330     3.598   75.000   66.984
LGA    A    12_B      A    12_B     1.483     0    0.016   0.041     1.603   79.286   78.000
LGA    I    13_B      I    13_B     1.401     0    0.039   0.362     3.199   81.429   76.429
LGA    I    14_B      I    14_B     1.378     0    0.036   0.421     1.946   79.286   78.214
LGA    A    15_B      A    15_B     1.318     0    0.035   0.041     1.460   81.429   81.429
LGA    M    16_B      M    16_B     1.345     0    0.035   1.220     4.789   79.286   69.107
LGA    L    17_B      L    17_B     1.792     0    0.025   1.409     2.919   70.833   68.988
LGA    K    18_B      K    18_B     1.852     0    0.015   1.027     7.036   72.857   52.434
LGA    E    19_B      E    19_B     1.562     0    0.031   0.889     2.818   72.857   75.079
LGA    W    20_B      W    20_B     1.723     0    0.044   1.654     5.819   70.833   58.197
LGA    Y    21_B      Y    21_B     2.009     0    0.038   0.230     2.360   66.786   69.484
LGA    D    22_B      D    22_B     2.029     0    0.038   0.236     2.449   66.786   70.893
LGA    A    23_B      A    23_B     2.431     0    0.044   0.044     2.600   60.952   60.190
LGA    M    24_B      M    24_B     2.802     0    0.028   0.930     4.163   55.357   52.976
LGA    N    25_B      N    25_B     3.088     0    0.044   1.051     3.442   51.786   53.631
LGA    E    26_B      E    26_B     2.843     0    0.090   0.828     3.113   55.357   55.556
LGA    G    27_B      G    27_B     2.848     0    0.076   0.076     2.882   59.048   59.048
LGA    D    28_B      D    28_B     1.871     0    0.112   1.000     4.306   70.833   62.560
LGA    M    29_B      M    29_B     1.615     0    0.088   1.085     6.228   77.143   60.714
LGA    E    30_B      E    30_B     0.735     0    0.055   1.299     6.842   88.214   63.915
LGA    K    31_B      K    31_B     1.028     0    0.030   1.097     5.363   81.429   62.751
LGA    L    32_B      L    32_B     1.318     0    0.023   0.987     5.181   81.429   65.000
LGA    R    33_B      R    33_B     1.168     0    0.053   0.719     2.424   85.952   81.645
LGA    S    34_B      S    34_B     0.726     0    0.192   0.489     2.149   88.214   84.683
LGA    L    35_B      L    35_B     0.541     0    0.163   0.142     1.013   92.857   90.536
LGA    V    36_B      V    36_B     0.475     0    0.084   1.091     2.591   97.619   87.279
LGA    D    37_B      D    37_B     0.660     0    0.075   0.309     1.058   90.476   89.345
LGA    P    38_B      P    38_B     0.531     0    0.031   0.101     0.639   90.476   93.197
LGA    D    39_B      D    39_B     0.771     0    0.169   0.716     2.719   92.857   85.238
LGA    A    40_B      A    40_B     0.699     0    0.042   0.046     0.913   90.476   90.476
LGA    S    41_B      S    41_B     0.451     0    0.126   0.667     2.034   97.619   90.952
LGA    F    42_B      F    42_B     0.868     0    0.099   1.262     7.292   90.476   57.922
LGA    V    43_B      V    43_B     0.940     0    0.058   1.107     4.073   90.476   79.048
LGA    D    44_B      D    44_B     1.820     0    0.275   0.832     2.551   70.952   67.917
LGA    A    45_B      A    45_B     4.624     0    0.025   0.034     5.907   36.071   33.143
LGA    R    46_B      R    46_B     4.766     0    0.074   1.356    14.238   38.810   18.139
LGA    T    47_B      T    47_B     1.686     0    0.721   0.634     4.332   57.976   65.578
LGA    N    48_B      N    48_B     1.343     0    0.275   0.455     3.164   88.214   75.655
LGA    Q    49_B      Q    49_B     0.600     0    0.050   0.635     3.146   90.476   84.974
LGA    V    50_B      V    50_B     0.847     0    0.067   0.075     1.779   85.952   81.565
LGA    Y    51_B      Y    51_B     1.382     0    0.063   0.295     2.768   81.429   74.603
LGA    D    52_B      D    52_B     1.146     0    0.054   0.828     2.217   85.952   80.595
LGA    K    53_B      K    53_B     1.109     0    0.052   0.950     2.006   81.429   77.672
LGA    D    54_B      D    54_B     1.124     0    0.034   0.895     4.659   85.952   67.143
LGA    Q    55_B      Q    55_B     0.836     0    0.032   1.249     4.176   90.476   75.608
LGA    F    56_B      F    56_B     1.257     0    0.026   0.355     2.871   81.429   73.853
LGA    L    57_B      L    57_B     1.434     0    0.028   0.170     2.128   81.429   76.131
LGA    Q    58_B      Q    58_B     1.267     0    0.037   0.721     3.895   79.286   65.026
LGA    M    59_B      M    59_B     2.092     0    0.047   0.700     3.000   64.881   62.024
LGA    I    60_B      I    60_B     2.893     0    0.043   0.599     3.339   57.262   54.524
LGA    K    61_B      K    61_B     2.670     0    0.028   0.791     3.399   57.143   55.556
LGA    E    62_B      E    62_B     2.702     0    0.592   0.918     5.724   60.952   46.349
LGA    A    63_B      A    63_B     2.288     0    0.301   0.304     2.893   69.048   66.667
LGA    L    64_B      L    64_B     1.313     0    0.078   0.837     4.708   75.833   61.607
LGA    E    65_B      E    65_B     3.674     0    0.104   1.053     8.708   41.667   30.476
LGA    Q    66_B      Q    66_B     4.459     0    0.283   1.286    12.215   48.690   24.339
LGA    D    67_B      D    67_B     1.342     0    0.215   1.369     6.263   70.952   50.238
LGA    L    68_B      L    68_B     5.747     0    0.591   1.445    12.053   30.357   15.833
LGA    K    69_B      K    69_B     5.138     0    0.332   1.024     6.624   27.500   25.397
LGA    V    70_B      V    70_B     4.410     0    0.076   0.095     6.061   41.905   33.878
LGA    E    71_B      E    71_B     3.001     0    0.134   0.554     3.538   48.333   56.614
LGA    V    72_B      V    72_B     3.572     0    0.069   1.094     7.233   46.667   38.776
LGA    K    73_B      K    73_B     2.984     0    0.665   1.390     4.694   48.929   48.095
LGA    S    74_B      S    74_B     2.818     0    0.063   0.713     5.857   59.286   48.333
LGA    I    75_B      I    75_B     4.145     0    0.185   0.284     9.383   45.595   26.667
LGA    D    76_B      D    76_B     4.128     0    0.243   0.931     6.461   37.143   32.083
LGA    I    77_B      I    77_B     4.537     0    0.052   0.692     8.147   35.714   27.679
LGA    E    78_B      E    78_B     3.509     0    0.106   0.774     7.002   38.810   36.455
LGA    Q    79_B      Q    79_B     5.272     0    0.075   1.145    10.679   29.048   14.392
LGA    Q    80_B      Q    80_B     4.302     0    0.131   1.081     4.641   35.714   48.730
LGA    P    81_B      P    81_B     6.038     0    0.761   0.646     9.577   29.762   18.776
LGA    D    82_B      D    82_B     2.879     0    0.125   1.283     4.283   54.048   53.095
LGA    G    83_B      G    83_B     2.706     0    0.545   0.545     2.706   67.024   67.024
LGA    D    84_B      D    84_B     2.931     0    0.217   0.721     4.898   59.048   48.155
LGA    V    85_B      V    85_B     1.686     0    0.024   0.139     2.157   75.000   72.925
LGA    V    86_B      V    86_B     1.102     0    0.090   0.893     2.255   81.429   80.340
LGA    I    87_B      I    87_B     1.315     0    0.061   0.170     1.663   81.429   79.286
LGA    V    88_B      V    88_B     1.289     0    0.073   0.143     1.734   77.143   82.857
LGA    K    89_B      K    89_B     2.205     0    0.095   0.825     8.102   64.881   43.069
LGA    V    90_B      V    90_B     2.994     0    0.145   1.100     3.729   55.357   52.109
LGA    K    91_B      K    91_B     2.632     0    0.047   0.554     2.684   57.143   63.228
LGA    V    92_B      V    92_B     2.655     0    0.035   1.071     4.772   57.143   54.558
LGA    R    93_B      R    93_B     3.103     0    0.026   1.355    12.742   55.357   28.442
LGA    A    94_B      A    94_B     2.977     0    0.046   0.073     3.496   53.571   55.810
LGA    T    95_B      T    95_B     4.623     0    0.063   1.147     5.545   34.286   32.585
LGA    M    96_B      M    96_B     5.125     0    0.056   1.153     8.772   25.119   19.405
LGA    V    97_B      V    97_B     6.310     0    0.133   1.028     6.758   16.310   19.252
LGA    R    98_B      R    98_B     7.743     0    0.096   1.496    11.063    6.190    3.506
LGA    Q   101_B      Q   101_B     8.238     0    0.557   1.050    11.913    3.571    2.910
LGA    E   102_B      E   102_B     6.114     0    0.101   0.678     7.146   14.405   26.772
LGA    H   103_B      H   103_B     6.519     0    0.053   1.003    12.090   19.524    9.714
LGA    V   104_B      V   104_B     4.925     0    0.061   0.084     5.847   27.619   27.075
LGA    F   105_B      F   105_B     3.729     0    0.083   1.049     9.695   48.452   26.580
LGA    E   106_B      E   106_B     2.835     0    0.089   1.146     5.374   53.571   48.254
LGA    V   107_B      V   107_B     2.974     0    0.090   1.056     3.917   57.143   53.129
LGA    V   108_B      V   108_B     2.613     0    0.070   0.092     3.159   60.952   58.299
LGA    D   109_B      D   109_B     2.119     0    0.069   0.227     2.961   68.810   66.845
LGA    T   110_B      T   110_B     1.399     0    0.098   1.094     3.333   86.190   78.435
LGA    Y   111_B      Y   111_B     0.684     0    0.033   0.193     2.717   88.214   80.476
LGA    E   112_B      E   112_B     0.676     0    0.031   0.859     2.980   92.857   81.958
LGA    F   113_B      F   113_B     0.470     0    0.018   0.256     1.447   92.857   89.784
LGA    R   114_B      R   114_B     0.918     0    0.037   0.739     5.979   90.476   63.203
LGA    R   115_B      R   115_B     1.458     0    0.073   1.187     5.469   77.262   55.758
LGA    K   116_B      K   116_B     0.789     0    0.301   1.177     4.642   90.476   75.503
LGA    G   117_B      G   117_B     2.677     0    0.615   0.615     5.324   51.548   51.548
LGA    D   118_B      D   118_B     1.484     0    0.176   0.431     2.776   71.190   76.369
LGA    S   119_B      S   119_B     2.099     0    0.101   0.589     2.623   70.833   68.889
LGA    W   120_B      W   120_B     1.238     0    0.062   0.258     1.790   81.548   75.340
LGA    K   121_B      K   121_B     0.610     0    0.033   0.802     3.453   95.238   79.101
LGA    I   122_B      I   122_B     0.471     0    0.037   0.928     3.032   95.238   82.500
LGA    V   123_B      V   123_B     0.438     0    0.177   0.182     0.796   97.619   94.558
LGA    K   124_B      K   124_B     0.387     0    0.065   0.845     4.122   97.619   76.085
LGA    L   125_B      L   125_B     0.698     0    0.161   0.893     3.861   90.476   77.321
LGA    V   126_B      V   126_B     0.528     0    0.116   0.159     0.729   90.476   93.197
LGA    S   127_B      S   127_B     1.526     0    0.094   0.133     2.430   70.952   71.587
LGA    E   128_B      E   128_B     2.438     0    0.252   0.800     6.095   62.976   50.053
LGA    I   129_B      I   129_B     4.815     0    0.119   0.123     6.946   25.833   22.202
LGA    T   130_B      T   130_B     7.277     0    0.181   1.133     8.514   10.476   10.272
LGA    Q   131_B      Q   131_B    11.163     0    0.112   0.804    19.640    0.000    0.000
LGA    L   132_B      L   132_B     8.920     0    0.622   1.155    10.371    1.190   19.643
LGA    G   133_B      G   133_B    14.070     0    0.612   0.612    15.892    0.000    0.000
LGA    S   134_B      S   134_B    17.635     0    0.753   0.659    20.796    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00    1024   1024  100.00               126
SUMMARY(RMSD_GDC):     3.375          3.418                  4.079           63.513   57.276

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    106    2.20    68.452    66.526     4.609

LGA_LOCAL      RMSD:   2.200  Number of atoms:  106  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.747  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   3.375  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.771478 * X  +   0.624624 * Y  +   0.121101 * Z  + -24.107403
  Y_new =   0.623261 * X  +  -0.780178 * Y  +   0.053557 * Z  +  29.386795
  Z_new =   0.127933 * X  +   0.034159 * Y  +  -0.991194 * Z  +  87.063629 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.679527 -0.128285  3.107144   [DEG:   38.9340   -7.3502  178.0262 ]
ZXZ:  1.987189  3.008787  1.309876   [DEG:  113.8576  172.3908   75.0503 ]
 
# END of job
