
#######################################################
#                                                     #
#                        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       2.03     2.03
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       7_B - 133_B       2.00     2.03
  LCS_AVERAGE:     98.75

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40       7_B - 46_B        0.91     2.53
  LCS_AVERAGE:     20.01

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     40  125  126     15   45   66   95  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E     8_B     E     8_B     40  125  126     13   32   59   93  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A     9_B     A     9_B     40  125  126     12   45   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    10_B     K    10_B     40  125  126     19   50   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    11_B     E    11_B     40  125  126     19   50   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    12_B     A    12_B     40  125  126     19   54   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    13_B     I    13_B     40  125  126     19   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    14_B     I    14_B     40  125  126     25   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    15_B     A    15_B     40  125  126     25   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    16_B     M    16_B     40  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    17_B     L    17_B     40  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    18_B     K    18_B     40  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    19_B     E    19_B     40  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W    20_B     W    20_B     40  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    21_B     Y    21_B     40  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    22_B     D    22_B     40  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    23_B     A    23_B     40  125  126     19   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    24_B     M    24_B     40  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    25_B     N    25_B     40  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    26_B     E    26_B     40  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    27_B     G    27_B     40  125  126     11   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    28_B     D    28_B     40  125  126     19   50   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    29_B     M    29_B     40  125  126     13   50   76   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    30_B     E    30_B     40  125  126     25   52   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    31_B     K    31_B     40  125  126     25   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    32_B     L    32_B     40  125  126     25   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    33_B     R    33_B     40  125  126     25   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    34_B     S    34_B     40  125  126     25   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    35_B     L    35_B     40  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    36_B     V    36_B     40  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    37_B     D    37_B     40  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    38_B     P    38_B     40  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    39_B     D    39_B     40  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    40_B     A    40_B     40  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    41_B     S    41_B     40  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    42_B     F    42_B     40  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    43_B     V    43_B     40  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    44_B     D    44_B     40  125  126     12   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    45_B     A    45_B     40  125  126      4   26   63   89  104  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    46_B     R    46_B     40  125  126      4   13   53   73   96  109  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    47_B     T    47_B     38  125  126      4   22   34   50   87  110  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    48_B     N    48_B      4  125  126      3    4    5   14   37   74  104  115  123  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    49_B     Q    49_B     19  125  126     13   39   75   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    50_B     V    50_B     20  125  126     25   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    51_B     Y    51_B     20  125  126     25   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    52_B     D    52_B     20  125  126     13   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    53_B     K    53_B     20  125  126     25   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    54_B     D    54_B     20  125  126     25   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    55_B     Q    55_B     20  125  126     15   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    56_B     F    56_B     20  125  126     13   53   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    57_B     L    57_B     20  125  126     25   53   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    58_B     Q    58_B     20  125  126     25   53   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    59_B     M    59_B     20  125  126     25   53   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    60_B     I    60_B     20  125  126     25   50   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    61_B     K    61_B     20  125  126     25   50   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    62_B     E    62_B     20  125  126     25   50   77   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    63_B     A    63_B     20  125  126     25   50   77   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    64_B     L    64_B     20  125  126     18   50   77   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    65_B     E    65_B     20  125  126     19   50   77   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    66_B     Q    66_B     20  125  126      9   50   75   95  104  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    67_B     D    67_B     20  125  126     10   41   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    68_B     L    68_B     20  125  126      3    5    7    8   29  109  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    69_B     K    69_B     20  125  126     19   50   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    70_B     V    70_B      6  125  126      3    9   46   76  101  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    71_B     E    71_B      6  125  126      3   20   47   87  103  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    72_B     V    72_B      6  125  126     19   50   77   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    73_B     K    73_B      5  125  126      3    5    8   14   94  107  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    74_B     S    74_B      5  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    75_B     I    75_B      5  125  126     15   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    76_B     D    76_B      5  125  126      3    5   64   95  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    77_B     I    77_B      5  125  126      3    5   52   85  104  111  118  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    78_B     E    78_B      4  125  126      3   16   28   50   96  110  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    79_B     Q    79_B      4  125  126      3    7   16   50   96  110  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    80_B     Q    80_B      4  125  126      3    4   11   16   25   45   66  113  123  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    81_B     P    81_B      4  125  126      3    4   12   38   88  110  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    82_B     D    82_B      4  125  126      3    4    4   11   22   59  108  120  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    83_B     G    83_B     22  125  126      3    6   14   59  102  110  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    84_B     D    84_B     22  125  126      6   23   65   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    85_B     V    85_B     22  125  126     12   45   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    86_B     V    86_B     22  125  126     22   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    87_B     I    87_B     24  125  126     11   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    88_B     V    88_B     25  125  126     15   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    89_B     K    89_B     25  125  126     15   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    90_B     V    90_B     25  125  126     15   50   77   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    91_B     K    91_B     25  125  126     15   51   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    92_B     V    92_B     25  125  126     12   50   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    93_B     R    93_B     25  125  126     13   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    94_B     A    94_B     25  125  126     15   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    95_B     T    95_B     25  125  126     13   45   68   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    96_B     M    96_B     25  125  126     13   45   68   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    97_B     V    97_B     25  125  126      3   22   51   76   97  109  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    98_B     R    98_B     25  125  126      3   17   41   66   89  107  118  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   101_B     Q   101_B     25  125  126     12   50   73   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   102_B     E   102_B     25  125  126     10   50   76   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   103_B     H   103_B     25  125  126     13   51   77   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   104_B     V   104_B     25  125  126     13   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   105_B     F   105_B     25  125  126     22   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   106_B     E   106_B     25  125  126     22   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   107_B     V   107_B     25  125  126      3   21   42   65   96  110  118  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   108_B     V   108_B     25  125  126     15   50   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   109_B     D   109_B     25  125  126     12   45   75   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   110_B     T   110_B     25  125  126     12   50   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B     25  125  126     12   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_B     E   112_B     25  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   113_B     F   113_B     25  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     25  125  126     15   55   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   115_B     R   115_B     18  125  126     11   47   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   116_B     K   116_B     18  125  126      3   39   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   117_B     G   117_B     18  125  126      3   25   56   93  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   118_B     D   118_B     18  125  126      3   20   64   90  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   119_B     S   119_B     18  125  126      3   34   75   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W   120_B     W   120_B     18  125  126     12   44   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   121_B     K   121_B     18  125  126     17   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   122_B     I   122_B     18  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   123_B     V   123_B     18  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   124_B     K   124_B     18  125  126     11   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   125_B     L   125_B     18  125  126     11   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   126_B     V   126_B     18  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   127_B     S   127_B     14  125  126     22   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   128_B     E   128_B     14  125  126     26   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   129_B     I   129_B     14  125  126      3   24   72   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   130_B     T   130_B     14  125  126     11   54   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   131_B     Q   131_B     14  125  126     20   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_B     L   132_B     14  125  126     13   56   78   96  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   133_B     G   133_B     13  125  126      4   45   72   92  106  111  119  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   134_B     S   134_B      3   53  126      0    3   44   80   96  110  117  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  72.92  (  20.01   98.75  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     26     56     78     96    106    111    119    123    124    125    126    126    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  20.63  44.44  61.90  76.19  84.13  88.10  94.44  97.62  98.41  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.36   0.64   0.91   1.13   1.33   1.43   1.72   1.83   1.89   1.97   2.03   2.03   2.03   2.03   2.03   2.03   2.03   2.03   2.03   2.03
GDT RMS_ALL_AT   2.16   2.12   2.09   2.07   2.06   2.06   2.03   2.03   2.03   2.03   2.03   2.03   2.03   2.03   2.03   2.03   2.03   2.03   2.03   2.03

# Checking swapping
#   possible swapping detected:  E     7_B      E     7_B
#   possible swapping detected:  Y    21_B      Y    21_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:  D    52_B      D    52_B
#   possible swapping detected:  D    67_B      D    67_B
#   possible swapping detected:  E    71_B      E    71_B
#   possible swapping detected:  D    76_B      D    76_B
#   possible swapping detected:  E    78_B      E    78_B
#   possible swapping detected:  D    82_B      D    82_B
#   possible swapping detected:  F   105_B      F   105_B
#   possible swapping detected:  Y   111_B      Y   111_B
#   possible swapping detected:  E   112_B      E   112_B
#   possible swapping detected:  F   113_B      F   113_B
#   possible swapping detected:  D   118_B      D   118_B
#   possible swapping detected:  E   128_B      E   128_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     2.602     0    0.165   0.975     3.968   59.048   58.995
LGA    E     8_B      E     8_B     2.719     0    0.019   1.033     4.719   62.976   57.778
LGA    A     9_B      A     9_B     1.760     0    0.019   0.021     2.092   75.119   74.667
LGA    K    10_B      K    10_B     1.363     0    0.034   0.129     1.866   81.429   76.667
LGA    E    11_B      E    11_B     1.564     0    0.042   0.214     2.826   77.143   71.217
LGA    A    12_B      A    12_B     0.985     0    0.036   0.033     1.231   88.214   86.857
LGA    I    13_B      I    13_B     0.848     0    0.029   0.470     1.498   90.476   87.083
LGA    I    14_B      I    14_B     0.681     0    0.032   0.248     2.046   90.476   86.131
LGA    A    15_B      A    15_B     0.673     0    0.082   0.102     0.995   90.476   90.476
LGA    M    16_B      M    16_B     0.786     0    0.033   1.037     3.319   90.476   81.071
LGA    L    17_B      L    17_B     0.746     0    0.083   0.139     1.084   90.476   89.345
LGA    K    18_B      K    18_B     0.754     0    0.050   0.772     2.049   90.476   83.651
LGA    E    19_B      E    19_B     0.579     0    0.039   0.382     1.194   90.476   92.646
LGA    W    20_B      W    20_B     0.622     0    0.026   0.297     1.654   90.476   86.667
LGA    Y    21_B      Y    21_B     0.158     0    0.055   0.549     2.986   95.238   81.468
LGA    D    22_B      D    22_B     0.945     0    0.032   0.044     1.156   85.952   83.690
LGA    A    23_B      A    23_B     1.277     0    0.190   0.191     2.227   77.262   78.095
LGA    M    24_B      M    24_B     0.851     0    0.048   1.030     2.134   90.476   83.929
LGA    N    25_B      N    25_B     0.429     0    0.097   0.259     1.130   92.857   90.595
LGA    E    26_B      E    26_B     1.024     0    0.597   0.480     4.940   75.833   62.222
LGA    G    27_B      G    27_B     1.365     0    0.401   0.401     1.365   81.429   81.429
LGA    D    28_B      D    28_B     1.644     0    0.125   0.196     1.659   72.857   72.857
LGA    M    29_B      M    29_B     1.850     0    0.070   0.243     4.422   72.857   60.060
LGA    E    30_B      E    30_B     1.497     0    0.048   0.682     3.833   79.286   73.439
LGA    K    31_B      K    31_B     0.880     0    0.045   0.754     2.426   88.214   83.651
LGA    L    32_B      L    32_B     1.013     0    0.055   0.098     1.112   83.690   85.952
LGA    R    33_B      R    33_B     1.158     0    0.058   1.762     8.584   81.429   55.022
LGA    S    34_B      S    34_B     1.157     0    0.073   0.134     1.379   81.429   82.937
LGA    L    35_B      L    35_B     0.823     0    0.046   0.069     0.991   90.476   90.476
LGA    V    36_B      V    36_B     0.779     0    0.018   0.059     0.881   90.476   90.476
LGA    D    37_B      D    37_B     1.034     0    0.023   0.940     3.821   88.214   77.917
LGA    P    38_B      P    38_B     1.116     0    0.025   0.274     2.394   83.690   79.116
LGA    D    39_B      D    39_B     1.112     0    0.046   0.868     4.534   81.429   65.714
LGA    A    40_B      A    40_B     0.746     0    0.082   0.106     0.894   90.476   90.476
LGA    S    41_B      S    41_B     0.720     0    0.130   0.618     2.543   88.214   83.413
LGA    F    42_B      F    42_B     0.904     0    0.050   0.143     1.293   88.214   83.896
LGA    V    43_B      V    43_B     0.950     0    0.057   0.075     1.340   90.476   86.599
LGA    D    44_B      D    44_B     0.944     0    0.172   0.202     2.369   85.952   78.393
LGA    A    45_B      A    45_B     2.810     0    0.119   0.117     3.873   55.833   54.667
LGA    R    46_B      R    46_B     3.883     0    0.181   1.250     9.016   37.976   29.004
LGA    T    47_B      T    47_B     3.746     0    0.690   0.594     4.765   52.024   49.660
LGA    N    48_B      N    48_B     5.675     0    0.178   1.067    11.924   32.024   17.440
LGA    Q    49_B      Q    49_B     1.855     0    0.102   1.037     8.277   66.905   45.185
LGA    V    50_B      V    50_B     0.626     0    0.046   1.100     2.763   92.857   83.673
LGA    Y    51_B      Y    51_B     0.499     0    0.061   1.392     6.721   92.857   66.905
LGA    D    52_B      D    52_B     0.713     0    0.109   0.165     0.826   90.476   91.667
LGA    K    53_B      K    53_B     0.225     0    0.037   0.232     1.300  100.000   93.757
LGA    D    54_B      D    54_B     0.379     0    0.047   0.055     0.786  100.000   96.429
LGA    Q    55_B      Q    55_B     0.244     0    0.049   0.288     1.729   97.619   94.868
LGA    F    56_B      F    56_B     0.812     0    0.051   0.222     1.562   88.214   83.117
LGA    L    57_B      L    57_B     1.007     0    0.045   0.049     1.344   83.690   82.560
LGA    Q    58_B      Q    58_B     0.967     0    0.057   1.555     5.800   83.690   65.026
LGA    M    59_B      M    59_B     1.035     0    0.010   0.186     1.133   81.429   83.690
LGA    I    60_B      I    60_B     1.107     0    0.039   0.616     1.972   81.429   81.488
LGA    K    61_B      K    61_B     1.279     0    0.018   0.378     3.369   77.143   70.635
LGA    E    62_B      E    62_B     1.796     0    0.014   0.132     2.117   70.833   71.058
LGA    A    63_B      A    63_B     1.757     0    0.067   0.073     2.067   70.833   71.238
LGA    L    64_B      L    64_B     1.549     0    0.060   0.104     1.874   72.857   77.143
LGA    E    65_B      E    65_B     1.848     0    0.046   0.163     2.236   68.810   70.159
LGA    Q    66_B      Q    66_B     2.432     0    0.269   1.086     6.730   61.071   46.402
LGA    D    67_B      D    67_B     1.991     0    0.535   0.968     7.846   65.476   43.869
LGA    L    68_B      L    68_B     3.638     0    0.057   1.416    10.496   53.810   29.464
LGA    K    69_B      K    69_B     1.450     0    0.071   0.334    11.734   62.024   35.873
LGA    V    70_B      V    70_B     2.845     0    0.149   1.076     6.781   61.190   42.517
LGA    E    71_B      E    71_B     2.890     0    0.104   0.694    11.560   57.500   29.259
LGA    V    72_B      V    72_B     1.836     0    0.055   0.110     5.811   59.881   47.075
LGA    K    73_B      K    73_B     3.546     0    0.632   1.409    12.125   52.143   26.508
LGA    S    74_B      S    74_B     0.617     0    0.082   0.598     2.821   88.333   81.984
LGA    I    75_B      I    75_B     0.878     0    0.010   0.638     2.574   86.190   76.548
LGA    D    76_B      D    76_B     2.530     0    0.599   1.128     6.009   56.071   47.560
LGA    I    77_B      I    77_B     2.876     0    0.070   1.033     8.868   61.429   38.631
LGA    E    78_B      E    78_B     3.786     0    0.066   0.515    11.367   48.690   25.132
LGA    Q    79_B      Q    79_B     3.890     0    0.025   0.927     7.279   31.548   25.979
LGA    Q    80_B      Q    80_B     6.809     0    0.210   1.438     9.102   25.714   13.492
LGA    P    81_B      P    81_B     4.545     0    0.720   0.599     7.148   31.548   23.810
LGA    D    82_B      D    82_B     5.532     0    0.587   1.263     9.397   24.405   15.119
LGA    G    83_B      G    83_B     3.461     0    0.537   0.537     3.461   63.333   63.333
LGA    D    84_B      D    84_B     2.588     0    0.137   1.065     4.466   65.000   55.060
LGA    V    85_B      V    85_B     1.315     0    0.136   0.363     2.215   75.119   75.374
LGA    V    86_B      V    86_B     0.720     0    0.145   1.011     2.308   88.214   83.197
LGA    I    87_B      I    87_B     0.718     0    0.129   1.243     3.121   88.214   78.988
LGA    V    88_B      V    88_B     0.986     0    0.127   1.031     2.796   79.643   75.850
LGA    K    89_B      K    89_B     1.369     0    0.100   0.394     2.066   79.286   76.720
LGA    V    90_B      V    90_B     1.708     0    0.118   1.054     3.149   70.833   66.190
LGA    K    91_B      K    91_B     1.616     0    0.063   0.741     3.422   75.000   67.831
LGA    V    92_B      V    92_B     1.561     0    0.025   0.072     2.263   72.857   70.544
LGA    R    93_B      R    93_B     1.323     0    0.024   0.968     8.462   81.429   46.277
LGA    A    94_B      A    94_B     1.118     0    0.064   0.093     1.400   81.429   83.238
LGA    T    95_B      T    95_B     2.214     0    0.096   1.074     3.989   66.786   62.925
LGA    M    96_B      M    96_B     2.279     0    0.114   0.840     2.583   62.857   64.881
LGA    V    97_B      V    97_B     3.560     0    0.060   0.114     4.346   45.000   43.401
LGA    R    98_B      R    98_B     4.045     0    0.306   0.990     6.206   35.952   34.545
LGA    Q   101_B      Q   101_B     2.193     0    0.208   0.946     6.770   70.833   48.148
LGA    E   102_B      E   102_B     1.724     0    0.029   0.686     3.528   72.857   65.185
LGA    H   103_B      H   103_B     1.522     0    0.043   0.260     1.972   77.143   76.286
LGA    V   104_B      V   104_B     1.233     0    0.047   0.140     2.054   85.952   79.184
LGA    F   105_B      F   105_B     0.672     0    0.092   0.138     0.878   90.476   91.342
LGA    E   106_B      E   106_B     0.782     0    0.227   0.837     4.131   88.214   71.587
LGA    V   107_B      V   107_B     3.488     0    0.241   0.450     6.419   57.262   41.361
LGA    V   108_B      V   108_B     1.662     0    0.119   1.090     2.978   75.119   70.748
LGA    D   109_B      D   109_B     1.945     0    0.116   0.284     2.056   70.833   70.833
LGA    T   110_B      T   110_B     1.651     0    0.021   0.068     1.888   75.000   74.082
LGA    Y   111_B      Y   111_B     1.331     0    0.002   0.566     3.904   83.810   71.825
LGA    E   112_B      E   112_B     0.619     0    0.080   0.208     0.946   90.476   90.476
LGA    F   113_B      F   113_B     0.731     0    0.022   0.218     1.771   92.857   84.892
LGA    R   114_B      R   114_B     0.630     0    0.027   1.301     4.926   90.476   75.022
LGA    R   115_B      R   115_B     1.203     0    0.063   1.520     4.843   85.952   69.654
LGA    K   116_B      K   116_B     1.498     0    0.096   0.843     4.733   77.143   67.619
LGA    G   117_B      G   117_B     2.619     0    0.015   0.015     2.619   64.881   64.881
LGA    D   118_B      D   118_B     2.791     0    0.107   0.601     5.043   59.048   48.333
LGA    S   119_B      S   119_B     1.736     0    0.168   0.568     2.191   79.286   74.444
LGA    W   120_B      W   120_B     1.310     0    0.131   1.163     8.201   79.286   57.653
LGA    K   121_B      K   121_B     0.779     0    0.031   0.768     3.299   92.857   83.069
LGA    I   122_B      I   122_B     0.665     0    0.060   0.147     1.235   90.476   89.345
LGA    V   123_B      V   123_B     0.625     0    0.139   1.206     3.170   90.476   81.020
LGA    K   124_B      K   124_B     1.217     0    0.042   0.188     1.713   81.429   79.524
LGA    L   125_B      L   125_B     1.389     0    0.120   1.363     4.611   81.429   70.060
LGA    V   126_B      V   126_B     0.906     0    0.033   0.063     1.024   88.214   87.891
LGA    S   127_B      S   127_B     0.524     0    0.062   0.071     1.047   95.238   92.143
LGA    E   128_B      E   128_B     0.355     0    0.537   1.128     4.159   88.810   73.545
LGA    I   129_B      I   129_B     1.784     0    0.065   1.084     5.289   72.976   58.750
LGA    T   130_B      T   130_B     0.972     0    0.151   1.095     3.871   90.476   81.224
LGA    Q   131_B      Q   131_B     0.613     0    0.098   1.232     3.515   83.810   78.307
LGA    L   132_B      L   132_B     1.030     0    0.627   1.384     3.627   77.619   70.536
LGA    G   133_B      G   133_B     2.568     0    0.363   0.363     4.362   54.048   54.048
LGA    S   134_B      S   134_B     4.464     0    0.109   0.604     8.066   29.048   25.952

# 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):     2.028          2.042                  3.063           75.742   68.421

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    123    1.83    79.563    88.462     6.378

LGA_LOCAL      RMSD:   1.829  Number of atoms:  123  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.032  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.028  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.541142 * X  +  -0.256663 * Y  +  -0.800806 * Z  +  67.856316
  Y_new =  -0.137718 * X  +   0.966476 * Y  +  -0.216698 * Z  + -38.145744
  Z_new =   0.829578 * X  +  -0.006979 * Y  +  -0.558348 * Z  +  23.397938 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.892387 -0.978351 -3.129094   [DEG: -165.7216  -56.0554 -179.2839 ]
ZXZ: -1.306525  2.163189  1.579209   [DEG:  -74.8584  123.9416   90.4820 ]
 
# END of job
