
#######################################################
#                                                     #
#                        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       3.13     3.13
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    68       7_B - 74_B        2.00     3.31
  LCS_AVERAGE:     44.24

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38       7_B - 44_B        0.92     3.23
  LCS_AVERAGE:     19.80

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     38   68  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     E     8_B     E     8_B     38   68  126     22   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     A     9_B     A     9_B     38   68  126     23   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     K    10_B     K    10_B     38   68  126     22   55   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     E    11_B     E    11_B     38   68  126     22   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     A    12_B     A    12_B     38   68  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     I    13_B     I    13_B     38   68  126     22   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     I    14_B     I    14_B     38   68  126     22   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     A    15_B     A    15_B     38   68  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     M    16_B     M    16_B     38   68  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     L    17_B     L    17_B     38   68  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     K    18_B     K    18_B     38   68  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     E    19_B     E    19_B     38   68  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     W    20_B     W    20_B     38   68  126     22   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     Y    21_B     Y    21_B     38   68  126     22   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     D    22_B     D    22_B     38   68  126     22   52   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     A    23_B     A    23_B     38   68  126     22   43   75   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     M    24_B     M    24_B     38   68  126     22   47   75   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     N    25_B     N    25_B     38   68  126     22   47   75   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     E    26_B     E    26_B     38   68  126     22   41   74   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     G    27_B     G    27_B     38   68  126     16   39   70   88   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     D    28_B     D    28_B     38   68  126     15   52   77   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     M    29_B     M    29_B     38   68  126      6   47   77   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     E    30_B     E    30_B     38   68  126     23   55   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     K    31_B     K    31_B     38   68  126     23   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     L    32_B     L    32_B     38   68  126      8   52   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     R    33_B     R    33_B     38   68  126     15   50   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     S    34_B     S    34_B     38   68  126     23   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     L    35_B     L    35_B     38   68  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     V    36_B     V    36_B     38   68  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     D    37_B     D    37_B     38   68  126     23   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     P    38_B     P    38_B     38   68  126     23   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     D    39_B     D    39_B     38   68  126     23   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     A    40_B     A    40_B     38   68  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     S    41_B     S    41_B     38   68  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     F    42_B     F    42_B     38   68  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     V    43_B     V    43_B     38   68  126     23   55   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     D    44_B     D    44_B     38   68  126     14   50   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     A    45_B     A    45_B     34   68  126      9   30   53   70   90  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     R    46_B     R    46_B     34   68  126      9   40   63   82   96  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     T    47_B     T    47_B     34   68  126      4   50   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     N    48_B     N    48_B     34   68  126      5   48   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     Q    49_B     Q    49_B     34   68  126     23   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     V    50_B     V    50_B     34   68  126     19   51   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     Y    51_B     Y    51_B     34   68  126     19   50   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     D    52_B     D    52_B     34   68  126     20   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     K    53_B     K    53_B     34   68  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     D    54_B     D    54_B     34   68  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     Q    55_B     Q    55_B     34   68  126     21   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     F    56_B     F    56_B     34   68  126     21   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     L    57_B     L    57_B     34   68  126     21   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     Q    58_B     Q    58_B     34   68  126     15   50   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     M    59_B     M    59_B     34   68  126      5   40   68   89   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     I    60_B     I    60_B     34   68  126      5   33   62   81   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     K    61_B     K    61_B     34   68  126      5   33   58   81   96  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     E    62_B     E    62_B     34   68  126      5   17   30   63   74   98  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     A    63_B     A    63_B     14   68  126      5    8   17   26   43   65   80  100  110  112  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     L    64_B     L    64_B      4   68  126      3    3    4    5    5   74   98  107  111  114  118  121  122  123  124  124  124  125  125  125 
LCS_GDT     E    65_B     E    65_B      4   68  126      3    3    4   52   85   99  104  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     Q    66_B     Q    66_B      4   68  126      4    8   21   33   78  100  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     D    67_B     D    67_B      4   68  126      3    4    4   18   27   97  104  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     L    68_B     L    68_B      6   68  126      3    6   23   28   69   91  102  107  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     K    69_B     K    69_B      6   68  126      3   27   59   87   95  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     V    70_B     V    70_B      6   68  126      7   55   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     E    71_B     E    71_B      6   68  126      6   53   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     V    72_B     V    72_B      6   68  126      7   53   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     K    73_B     K    73_B      6   68  126     23   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     S    74_B     S    74_B      3   68  126      3    9   11   18   81  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     I    75_B     I    75_B      5    8  126      3    5    6    7   21   29   34   84  107  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     D    76_B     D    76_B      5    8  126      3    4    6   20   63   89  103  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     I    77_B     I    77_B      5    8  126      3   11   22   34   52   72   82  109  112  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     E    78_B     E    78_B      5    8  126      3   16   45   63   79  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     Q    79_B     Q    79_B      5    9  126      3    5    5    7   33   41   81  103  110  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     Q    80_B     Q    80_B      5    9  126      3    5   12   22   46   86  103  108  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     P    81_B     P    81_B      5   47  126      3    4    6    6   13   20   50   55  100  111  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     D    82_B     D    82_B      5   47  126      3   11   42   83   96  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     G    83_B     G    83_B     14   47  126     18   54   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     D    84_B     D    84_B     14   47  126      5   32   72   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     V    85_B     V    85_B     14   47  126     25   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     V    86_B     V    86_B     14   47  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     I    87_B     I    87_B     14   47  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     V    88_B     V    88_B     14   47  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     K    89_B     K    89_B     14   47  126     23   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     V    90_B     V    90_B     14   47  126      8   45   72   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     K    91_B     K    91_B     14   47  126     23   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     V    92_B     V    92_B     14   47  126     22   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     R    93_B     R    93_B     14   47  126     17   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     A    94_B     A    94_B     14   47  126     15   52   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     T    95_B     T    95_B     14   47  126     10   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     M    96_B     M    96_B     14   47  126      3   40   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     V    97_B     V    97_B     12   47  126      8   18   53   84   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     R    98_B     R    98_B     10   47  126      3    7   11   14   25   33   70  107  110  114  118  121  122  123  124  124  124  125  125  125 
LCS_GDT     Q   101_B     Q   101_B     10   47  126      4    9   14   21   41   87  103  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     E   102_B     E   102_B     10   47  126      6   18   52   78   96  101  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     H   103_B     H   103_B     26   47  126      8   29   73   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     V   104_B     V   104_B     26   47  126     15   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     F   105_B     F   105_B     26   47  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     E   106_B     E   106_B     26   47  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     V   107_B     V   107_B     26   47  126     23   53   78   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     V   108_B     V   108_B     26   47  126     23   55   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     D   109_B     D   109_B     26   47  126     23   55   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     T   110_B     T   110_B     26   47  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     Y   111_B     Y   111_B     26   47  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     E   112_B     E   112_B     26   47  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     F   113_B     F   113_B     26   47  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     R   114_B     R   114_B     26   47  126     23   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     R   115_B     R   115_B     26   47  126     12   55   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     K   116_B     K   116_B     26   47  126     21   55   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     G   117_B     G   117_B     26   47  126     22   45   70   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     D   118_B     D   118_B     26   47  126      3   50   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     S   119_B     S   119_B     26   47  126     22   55   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     W   120_B     W   120_B     26   47  126      9   51   78   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     K   121_B     K   121_B     26   47  126     23   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     I   122_B     I   122_B     26   47  126     26   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     V   123_B     V   123_B     26   47  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     K   124_B     K   124_B     26   47  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     L   125_B     L   125_B     26   47  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     V   126_B     V   126_B     26   47  126     27   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     S   127_B     S   127_B     26   47  126     23   56   80   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     E   128_B     E   128_B     26   47  126     22   55   78   91   97  102  105  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     I   129_B     I   129_B     26   47  126      5   21   56   78   91   99  104  109  113  115  119  121  122  123  124  124  124  125  125  125 
LCS_GDT     T   130_B     T   130_B     14   47  126      5    9   22   55   81   91  100  107  110  114  118  121  122  123  124  124  124  125  125  125 
LCS_GDT     Q   131_B     Q   131_B      8   30  126      5    7   12   22   36   53   64   78  100  107  112  118  122  123  124  124  124  125  125  125 
LCS_GDT     L   132_B     L   132_B      8   30  126      5    9   22   33   51   69   76   95  102  108  114  118  122  123  124  124  124  125  125  125 
LCS_GDT     G   133_B     G   133_B      4   27  126      3    3    4    5    8   18   26   32   41   53   61  105  107  110  113  121  123  125  125  125 
LCS_GDT     S   134_B     S   134_B      4    6  126      3    3    4    5    9   18   21   23   32   41   51   59   63   80   88   94  104  110  116  122 
LCS_AVERAGE  LCS_A:  54.68  (  19.80   44.24  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     27     56     80     91     97    102    105    109    113    115    119    121    122    123    124    124    124    125    125    125 
GDT PERCENT_AT  21.43  44.44  63.49  72.22  76.98  80.95  83.33  86.51  89.68  91.27  94.44  96.03  96.83  97.62  98.41  98.41  98.41  99.21  99.21  99.21
GDT RMS_LOCAL    0.35   0.63   0.89   1.04   1.18   1.38   1.49   1.64   1.87   1.98   2.28   2.35   2.42   2.52   2.62   2.62   2.62   2.81   2.81   2.81
GDT RMS_ALL_AT   3.18   3.18   3.19   3.17   3.18   3.19   3.19   3.18   3.19   3.19   3.22   3.20   3.20   3.18   3.16   3.16   3.16   3.14   3.14   3.14

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  E    11_B      E    11_B
#   possible swapping detected:  F    42_B      F    42_B
#   possible swapping detected:  Y    51_B      Y    51_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:  D    76_B      D    76_B
#   possible swapping detected:  E    78_B      E    78_B
#   possible swapping detected:  E   102_B      E   102_B
#   possible swapping detected:  E   106_B      E   106_B
#   possible swapping detected:  Y   111_B      Y   111_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     0.473     0    0.231   0.523     5.533   92.976   67.249
LGA    E     8_B      E     8_B     0.611     0    0.059   0.907     2.801   92.857   82.222
LGA    A     9_B      A     9_B     0.571     0    0.031   0.037     0.734   90.476   90.476
LGA    K    10_B      K    10_B     0.892     0    0.040   0.601     2.051   90.476   83.651
LGA    E    11_B      E    11_B     0.746     0    0.034   0.601     1.347   95.238   91.640
LGA    A    12_B      A    12_B     0.115     0    0.027   0.041     0.357  100.000  100.000
LGA    I    13_B      I    13_B     0.671     0    0.072   0.395     1.940   95.238   87.262
LGA    I    14_B      I    14_B     0.538     0    0.019   1.124     3.232   95.238   80.417
LGA    A    15_B      A    15_B     0.248     0    0.035   0.040     0.677   97.619   98.095
LGA    M    16_B      M    16_B     0.569     0    0.034   1.076     3.558   92.857   83.571
LGA    L    17_B      L    17_B     0.496     0    0.021   0.906     3.096   97.619   87.857
LGA    K    18_B      K    18_B     0.427     0    0.024   1.356     7.441   95.238   70.370
LGA    E    19_B      E    19_B     0.461     0    0.027   0.439     1.640   95.238   92.751
LGA    W    20_B      W    20_B     0.665     0    0.059   1.659     6.064   88.214   68.231
LGA    Y    21_B      Y    21_B     0.698     0    0.035   1.303    10.856   85.952   51.111
LGA    D    22_B      D    22_B     1.298     0    0.038   0.348     1.848   77.143   76.071
LGA    A    23_B      A    23_B     1.857     0    0.035   0.036     2.047   70.833   69.619
LGA    M    24_B      M    24_B     1.818     0    0.027   0.187     2.065   70.833   71.845
LGA    N    25_B      N    25_B     1.783     0    0.084   0.224     2.637   66.905   72.024
LGA    E    26_B      E    26_B     2.291     0    0.100   0.472     2.765   62.857   62.222
LGA    G    27_B      G    27_B     2.529     0    0.093   0.093     2.529   62.857   62.857
LGA    D    28_B      D    28_B     1.525     0    0.075   0.103     1.805   75.000   77.143
LGA    M    29_B      M    29_B     1.568     0    0.105   1.046     7.453   79.286   56.905
LGA    E    30_B      E    30_B     0.819     0    0.021   1.175     6.103   88.214   65.979
LGA    K    31_B      K    31_B     0.535     0    0.035   1.084     4.662   90.476   70.582
LGA    L    32_B      L    32_B     1.132     0    0.040   0.049     1.802   81.429   78.214
LGA    R    33_B      R    33_B     1.157     0    0.050   1.029     4.891   85.952   70.476
LGA    S    34_B      S    34_B     0.730     0    0.192   0.742     1.839   88.214   84.524
LGA    L    35_B      L    35_B     0.308     0    0.195   0.166     0.933  100.000   95.238
LGA    V    36_B      V    36_B     0.664     0    0.081   1.092     2.528   92.857   83.401
LGA    D    37_B      D    37_B     0.813     0    0.049   0.080     1.165   90.476   89.345
LGA    P    38_B      P    38_B     0.408     0    0.050   0.260     1.026   97.619   94.626
LGA    D    39_B      D    39_B     0.328     0    0.087   0.380     2.237  100.000   90.893
LGA    A    40_B      A    40_B     0.659     0    0.037   0.042     0.960   92.857   92.381
LGA    S    41_B      S    41_B     0.530     0    0.123   0.139     0.686   95.238   95.238
LGA    F    42_B      F    42_B     0.445     0    0.091   1.275     7.260   95.238   59.654
LGA    V    43_B      V    43_B     1.136     0    0.079   1.074     2.768   85.952   78.095
LGA    D    44_B      D    44_B     1.522     0    0.200   0.995     4.448   72.976   65.476
LGA    A    45_B      A    45_B     3.510     0    0.059   0.065     4.412   48.452   46.190
LGA    R    46_B      R    46_B     3.087     0    0.095   1.733    11.496   57.381   33.030
LGA    T    47_B      T    47_B     1.237     0    0.732   1.415     4.202   64.048   69.320
LGA    N    48_B      N    48_B     1.512     0    0.332   1.320     3.231   81.548   72.321
LGA    Q    49_B      Q    49_B     1.079     0    0.040   0.709     3.781   81.429   71.693
LGA    V    50_B      V    50_B     1.347     0    0.038   1.073     4.190   75.119   63.673
LGA    Y    51_B      Y    51_B     1.473     0    0.065   0.249     3.240   81.429   72.659
LGA    D    52_B      D    52_B     1.123     0    0.032   0.586     2.312   85.952   81.607
LGA    K    53_B      K    53_B     0.661     0    0.057   0.635     3.102   90.476   84.974
LGA    D    54_B      D    54_B     0.493     0    0.069   0.122     0.715   95.238   95.238
LGA    Q    55_B      Q    55_B     0.981     0    0.025   0.947     5.627   85.952   66.349
LGA    F    56_B      F    56_B     0.934     0    0.047   0.142     1.279   88.214   85.541
LGA    L    57_B      L    57_B     0.885     0    0.046   0.978     3.136   88.214   82.024
LGA    Q    58_B      Q    58_B     1.351     0    0.036   0.718     2.814   75.119   73.069
LGA    M    59_B      M    59_B     2.173     0    0.054   0.669     4.181   61.190   54.167
LGA    I    60_B      I    60_B     2.583     0    0.021   0.611     3.743   57.262   58.333
LGA    K    61_B      K    61_B     3.023     0    0.103   0.433     6.617   45.476   38.095
LGA    E    62_B      E    62_B     4.238     0    0.101   0.777     5.736   32.024   44.497
LGA    A    63_B      A    63_B     6.177     0    0.248   0.255     8.898   25.238   20.762
LGA    L    64_B      L    64_B     5.482     0    0.063   1.010    10.383   31.667   18.036
LGA    E    65_B      E    65_B     3.976     0    0.618   1.107    10.530   42.500   22.222
LGA    Q    66_B      Q    66_B     3.734     0    0.445   0.904    11.005   51.905   28.307
LGA    D    67_B      D    67_B     4.151     0    0.461   1.094     7.955   43.452   26.429
LGA    L    68_B      L    68_B     4.747     0    0.573   0.505    11.097   35.833   19.583
LGA    K    69_B      K    69_B     2.821     0    0.046   1.133     6.755   63.214   39.683
LGA    V    70_B      V    70_B     1.232     0    0.154   1.108     2.813   72.976   73.197
LGA    E    71_B      E    71_B     1.544     0    0.095   0.189     2.679   79.286   71.270
LGA    V    72_B      V    72_B     1.656     0    0.094   1.182     3.337   77.143   70.884
LGA    K    73_B      K    73_B     1.238     0    0.660   1.188     6.474   81.548   59.312
LGA    S    74_B      S    74_B     3.614     0    0.659   0.880     7.169   37.262   30.873
LGA    I    75_B      I    75_B     6.936     0    0.144   1.127    13.413   18.452    9.405
LGA    D    76_B      D    76_B     5.331     0    0.305   0.791     7.406   25.000   22.500
LGA    I    77_B      I    77_B     6.013     0    0.072   1.118     8.855   22.738   17.321
LGA    E    78_B      E    78_B     4.426     0    0.077   1.052     8.234   30.357   24.603
LGA    Q    79_B      Q    79_B     6.145     0    0.084   0.971    10.295   20.476   10.212
LGA    Q    80_B      Q    80_B     5.392     0    0.137   1.613     7.913   26.310   23.333
LGA    P    81_B      P    81_B     7.151     0    0.734   0.593    10.687   17.738   10.408
LGA    D    82_B      D    82_B     3.292     0    0.115   0.763     6.834   56.786   40.655
LGA    G    83_B      G    83_B     1.517     0    0.555   0.555     1.517   81.548   81.548
LGA    D    84_B      D    84_B     2.030     0    0.209   1.100     4.089   68.810   57.857
LGA    V    85_B      V    85_B     0.773     0    0.024   0.112     0.971   90.476   90.476
LGA    V    86_B      V    86_B     0.277     0    0.108   0.224     0.745   97.619   97.279
LGA    I    87_B      I    87_B     0.105     0    0.090   1.195     3.311   97.619   82.798
LGA    V    88_B      V    88_B     0.253     0    0.105   0.149     1.433   92.976   90.612
LGA    K    89_B      K    89_B     1.023     0    0.083   1.003     4.327   81.548   66.138
LGA    V    90_B      V    90_B     2.054     0    0.134   1.118     3.916   70.833   65.170
LGA    K    91_B      K    91_B     1.211     0    0.034   0.393     1.526   79.286   80.476
LGA    V    92_B      V    92_B     0.964     0    0.067   1.079     3.426   90.476   81.020
LGA    R    93_B      R    93_B     0.979     0    0.060   1.179     5.384   88.214   70.996
LGA    A    94_B      A    94_B     1.384     0    0.108   0.148     1.500   81.429   81.429
LGA    T    95_B      T    95_B     1.209     0    0.083   1.029     3.952   79.286   73.537
LGA    M    96_B      M    96_B     1.714     0    0.064   0.684     4.543   72.976   60.179
LGA    V    97_B      V    97_B     2.572     0    0.122   1.127     4.354   52.619   52.789
LGA    R    98_B      R    98_B     5.891     0    0.376   1.386    14.344   20.833   10.433
LGA    Q   101_B      Q   101_B     5.186     0    0.368   0.878     6.730   28.452   41.587
LGA    E   102_B      E   102_B     3.244     0    0.033   0.785     3.890   51.905   50.899
LGA    H   103_B      H   103_B     2.086     0    0.026   0.135     3.669   68.810   59.857
LGA    V   104_B      V   104_B     0.820     0    0.053   0.106     1.138   90.595   89.252
LGA    F   105_B      F   105_B     0.890     0    0.076   0.195     3.726   90.476   69.004
LGA    E   106_B      E   106_B     0.640     0    0.025   1.174     5.262   83.810   64.921
LGA    V   107_B      V   107_B     1.784     0    0.124   1.043     3.153   77.143   68.639
LGA    V   108_B      V   108_B     1.406     0    0.036   0.076     1.596   79.286   78.980
LGA    D   109_B      D   109_B     1.321     0    0.126   0.408     2.316   81.429   77.202
LGA    T   110_B      T   110_B     0.499     0    0.118   0.122     1.194   95.238   91.905
LGA    Y   111_B      Y   111_B     0.370     0    0.072   0.230     2.065  100.000   87.857
LGA    E   112_B      E   112_B     0.359     0    0.048   0.608     2.793   97.619   90.000
LGA    F   113_B      F   113_B     0.360     0    0.019   0.155     1.587  100.000   90.736
LGA    R   114_B      R   114_B     0.872     0    0.051   0.486     5.157   88.214   64.459
LGA    R   115_B      R   115_B     1.196     0    0.138   1.504     3.331   81.548   72.727
LGA    K   116_B      K   116_B     0.738     0    0.305   0.805     3.582   88.214   74.709
LGA    G   117_B      G   117_B     2.252     0    0.609   0.609     4.481   62.024   62.024
LGA    D   118_B      D   118_B     1.277     0    0.227   0.890     2.949   79.286   75.179
LGA    S   119_B      S   119_B     1.356     0    0.103   0.594     1.916   79.286   77.143
LGA    W   120_B      W   120_B     1.569     0    0.044   0.413     2.154   79.286   73.537
LGA    K   121_B      K   121_B     0.992     0    0.040   0.986     5.881   88.214   70.106
LGA    I   122_B      I   122_B     0.585     0    0.053   1.201     2.528   88.214   79.762
LGA    V   123_B      V   123_B     0.459     0    0.188   1.119     3.088   92.976   83.605
LGA    K   124_B      K   124_B     0.570     0    0.053   0.522     1.600   97.619   86.772
LGA    L   125_B      L   125_B     0.466     0    0.143   0.148     0.691   97.619   95.238
LGA    V   126_B      V   126_B     0.409     0    0.079   1.082     2.712  100.000   88.639
LGA    S   127_B      S   127_B     0.948     0    0.162   0.236     1.924   83.810   81.587
LGA    E   128_B      E   128_B     1.591     0    0.220   1.055     5.588   72.976   56.296
LGA    I   129_B      I   129_B     3.696     0    0.114   1.448     8.601   37.738   26.964
LGA    T   130_B      T   130_B     5.567     0    0.062   0.978     6.186   24.048   24.966
LGA    Q   131_B      Q   131_B     8.376     0    0.607   0.904    16.693    9.048    4.021
LGA    L   132_B      L   132_B     8.165     0    0.626   1.404    10.079    2.262    3.155
LGA    G   133_B      G   133_B    11.956     0    0.328   0.328    13.959    0.000    0.000
LGA    S   134_B      S   134_B    16.505     0    0.745   0.914    18.034    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):     3.132          3.148                  3.881           72.433   64.555

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    109    1.64    75.397    71.164     6.253

LGA_LOCAL      RMSD:   1.643  Number of atoms:  109  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.184  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   3.132  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.354301 * X  +  -0.676352 * Y  +  -0.645770 * Z  +  64.207031
  Y_new =  -0.511121 * X  +   0.718349 * Y  +  -0.471942 * Z  +  45.747971
  Z_new =   0.783087 * X  +   0.162857 * Y  +  -0.600210 * Z  +  -3.598863 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.176933 -0.899615  2.876638   [DEG: -124.7291  -51.5441  164.8192 ]
ZXZ: -0.939683  2.214560  1.365751   [DEG:  -53.8399  126.8849   78.2518 ]
 
# END of job
