
#######################################################
#                                                     #
#                        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       2.36     2.36
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74       7_B - 80_B        1.86     2.92
  LCS_AVERAGE:     51.90

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    47      84_B - 132_B       0.97     2.93
  LCS_AVERAGE:     28.19

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     41   74  126     24   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     E     8_B     E     8_B     41   74  126     23   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     A     9_B     A     9_B     41   74  126     23   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     K    10_B     K    10_B     41   74  126     24   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     E    11_B     E    11_B     41   74  126     24   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     A    12_B     A    12_B     41   74  126     24   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     I    13_B     I    13_B     41   74  126     24   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     I    14_B     I    14_B     41   74  126     24   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     A    15_B     A    15_B     41   74  126     24   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     M    16_B     M    16_B     41   74  126     20   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     L    17_B     L    17_B     41   74  126     24   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     K    18_B     K    18_B     41   74  126     24   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     E    19_B     E    19_B     41   74  126     18   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     W    20_B     W    20_B     41   74  126     24   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     Y    21_B     Y    21_B     41   74  126     24   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     D    22_B     D    22_B     41   74  126     24   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     A    23_B     A    23_B     41   74  126     18   52   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     M    24_B     M    24_B     41   74  126     17   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     N    25_B     N    25_B     41   74  126     24   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     E    26_B     E    26_B     41   74  126     23   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     G    27_B     G    27_B     41   74  126     23   53   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     D    28_B     D    28_B     41   74  126     24   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     M    29_B     M    29_B     41   74  126     17   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     E    30_B     E    30_B     41   74  126     24   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     K    31_B     K    31_B     41   74  126     24   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     L    32_B     L    32_B     41   74  126     24   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     R    33_B     R    33_B     41   74  126     24   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     S    34_B     S    34_B     41   74  126     24   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     L    35_B     L    35_B     41   74  126     25   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     V    36_B     V    36_B     41   74  126     25   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     D    37_B     D    37_B     41   74  126     25   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     P    38_B     P    38_B     41   74  126     24   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     D    39_B     D    39_B     41   74  126     15   56   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     A    40_B     A    40_B     41   74  126     25   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     S    41_B     S    41_B     41   74  126     25   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     F    42_B     F    42_B     41   74  126     25   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     V    43_B     V    43_B     41   74  126     18   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     D    44_B     D    44_B     41   74  126      9   44   81   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     A    45_B     A    45_B     41   74  126      6   16   35   65   84  102  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     R    46_B     R    46_B     41   74  126     18   56   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     T    47_B     T    47_B     41   74  126     14   55   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     N    48_B     N    48_B     18   74  126      5   14   37   62   84  103  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     Q    49_B     Q    49_B     19   74  126      6   23   70   90   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     V    50_B     V    50_B     19   74  126     21   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     Y    51_B     Y    51_B     19   74  126     21   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     D    52_B     D    52_B     19   74  126     21   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     K    53_B     K    53_B     19   74  126     21   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     D    54_B     D    54_B     19   74  126     24   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     Q    55_B     Q    55_B     19   74  126     25   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     F    56_B     F    56_B     19   74  126     14   56   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     L    57_B     L    57_B     19   74  126     19   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     Q    58_B     Q    58_B     19   74  126     21   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     M    59_B     M    59_B     19   74  126     19   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     I    60_B     I    60_B     19   74  126      9   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     K    61_B     K    61_B     19   74  126     17   57   81   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     E    62_B     E    62_B     19   74  126     16   53   73   89   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     A    63_B     A    63_B     19   74  126      6   42   72   89   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     L    64_B     L    64_B     19   74  126     17   57   75   93   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     E    65_B     E    65_B     19   74  126      4   24   68   80   96  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     Q    66_B     Q    66_B     19   74  126      3   14   35   74   87  102  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     D    67_B     D    67_B     19   74  126      3   14   39   69   88  103  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     L    68_B     L    68_B     17   74  126      3    7    8   29   56   92  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     K    69_B     K    69_B     17   74  126      5   14   24   49   83  101  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     V    70_B     V    70_B     17   74  126      3   14   35   54   87  101  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     E    71_B     E    71_B      8   74  126      4    9   39   69   88  101  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     V    72_B     V    72_B      8   74  126      4    9   22   54   85  101  115  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     K    73_B     K    73_B      8   74  126      4   13   31   71   89  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     S    74_B     S    74_B      8   74  126      4   13   23   72   89  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     I    75_B     I    75_B      6   74  126      4    5    5   45   82  101  115  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     D    76_B     D    76_B      6   74  126      5   24   46   77   94  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     I    77_B     I    77_B      6   74  126      4    5   24   42   62   84   97  115  119  120  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     E    78_B     E    78_B      6   74  126      4   10   39   61   89  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     Q    79_B     Q    79_B      4   74  126      3    4    6   12   17   65   95  117  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     Q    80_B     Q    80_B      4   74  126      3    6   16   35   62   97  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     P    81_B     P    81_B      4   57  126      3    4    4    7   17   41   85  104  120  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     D    82_B     D    82_B      8   57  126      3   12   27   69   98  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     G    83_B     G    83_B     31   53  126      5   31   54   90   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     D    84_B     D    84_B     47   53  126      4   31   60   90   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     V    85_B     V    85_B     47   53  126     11   53   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     V    86_B     V    86_B     47   53  126     25   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     I    87_B     I    87_B     47   53  126     25   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     V    88_B     V    88_B     47   53  126     25   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     K    89_B     K    89_B     47   53  126     25   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     V    90_B     V    90_B     47   53  126     11   46   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     K    91_B     K    91_B     47   53  126     18   50   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     V    92_B     V    92_B     47   53  126      7   56   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     R    93_B     R    93_B     47   53  126     19   56   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     A    94_B     A    94_B     47   53  126     25   54   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     T    95_B     T    95_B     47   53  126     18   50   80   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     M    96_B     M    96_B     47   53  126     16   49   80   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     V    97_B     V    97_B     47   53  126      3   19   60   83   97  102  110  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     R    98_B     R    98_B     47   53  126      3   20   58   80   95  102  107  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     Q   101_B     Q   101_B     47   53  126      3   43   63   84   97  102  110  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     E   102_B     E   102_B     47   53  126     18   50   80   94   99  104  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     H   103_B     H   103_B     47   53  126     18   50   81   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     V   104_B     V   104_B     47   53  126     25   51   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     F   105_B     F   105_B     47   53  126     25   56   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     E   106_B     E   106_B     47   53  126     25   56   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     V   107_B     V   107_B     47   53  126     10   46   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     V   108_B     V   108_B     47   53  126     17   50   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     D   109_B     D   109_B     47   53  126     16   50   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     T   110_B     T   110_B     47   53  126     25   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B     47   53  126     25   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_B     E   112_B     47   53  126     25   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     F   113_B     F   113_B     47   53  126     25   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     47   53  126     24   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     R   115_B     R   115_B     47   53  126     21   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     K   116_B     K   116_B     47   53  126      3   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     G   117_B     G   117_B     47   53  126     15   50   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     D   118_B     D   118_B     47   53  126      7   55   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     S   119_B     S   119_B     47   53  126     10   51   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     W   120_B     W   120_B     47   53  126     22   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     K   121_B     K   121_B     47   53  126     25   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     I   122_B     I   122_B     47   53  126     25   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     V   123_B     V   123_B     47   53  126     25   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     K   124_B     K   124_B     47   53  126     25   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     L   125_B     L   125_B     47   53  126     25   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     V   126_B     V   126_B     47   53  126     25   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     S   127_B     S   127_B     47   53  126     25   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     E   128_B     E   128_B     47   53  126     24   57   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     I   129_B     I   129_B     47   53  126     15   50   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     T   130_B     T   130_B     47   53  126     17   50   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     Q   131_B     Q   131_B     47   53  126      3   40   71   92   98  104  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_B     L   132_B     47   53  126     17   55   82   94   99  105  116  119  122  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     G   133_B     G   133_B     46   53  126      4   11   35   53   80   94  104  111  120  124  125  125  126  126  126  126  126  126  126  126 
LCS_GDT     S   134_B     S   134_B      3   53  126      3    5   13   21   38   65   90   98  105  109  116  124  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  60.03  (  28.19   51.90  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     25     57     82     94     99    105    116    119    122    124    125    125    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  19.84  45.24  65.08  74.60  78.57  83.33  92.06  94.44  96.83  98.41  99.21  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.64   0.89   1.05   1.18   1.48   1.86   1.95   2.07   2.20   2.26   2.26   2.36   2.36   2.36   2.36   2.36   2.36   2.36   2.36
GDT RMS_ALL_AT   2.60   2.52   2.48   2.48   2.46   2.40   2.39   2.39   2.38   2.37   2.37   2.37   2.36   2.36   2.36   2.36   2.36   2.36   2.36   2.36

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  E    19_B      E    19_B
#   possible swapping detected:  Y    21_B      Y    21_B
#   possible swapping detected:  D    52_B      D    52_B
#   possible swapping detected:  F    56_B      F    56_B
#   possible swapping detected:  E    71_B      E    71_B
#   possible swapping detected:  D    76_B      D    76_B
#   possible swapping detected:  E   102_B      E   102_B
#   possible swapping detected:  E   112_B      E   112_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     1.063     0    0.260   0.543     5.358   79.286   64.021
LGA    E     8_B      E     8_B     1.170     0    0.051   0.891     3.008   81.429   77.937
LGA    A     9_B      A     9_B     1.231     0    0.063   0.065     1.409   81.429   81.429
LGA    K    10_B      K    10_B     1.156     0    0.038   0.925     4.882   81.429   67.831
LGA    E    11_B      E    11_B     1.197     0    0.031   1.024     5.275   81.429   66.825
LGA    A    12_B      A    12_B     1.159     0    0.017   0.037     1.252   81.429   81.429
LGA    I    13_B      I    13_B     1.088     0    0.035   0.337     2.654   85.952   79.583
LGA    I    14_B      I    14_B     0.774     0    0.034   1.421     3.210   90.476   78.036
LGA    A    15_B      A    15_B     0.936     0    0.032   0.039     1.226   85.952   86.857
LGA    M    16_B      M    16_B     1.328     0    0.047   0.675     2.052   81.429   80.536
LGA    L    17_B      L    17_B     0.930     0    0.026   0.839     3.034   88.214   82.024
LGA    K    18_B      K    18_B     0.821     0    0.022   1.272     5.864   85.952   68.519
LGA    E    19_B      E    19_B     1.229     0    0.028   1.097     3.245   81.429   76.984
LGA    W    20_B      W    20_B     1.153     0    0.036   0.374     2.617   81.429   74.354
LGA    Y    21_B      Y    21_B     0.862     0    0.051   0.250     1.920   88.214   84.563
LGA    D    22_B      D    22_B     1.046     0    0.063   1.206     5.393   83.690   68.929
LGA    A    23_B      A    23_B     1.641     0    0.035   0.043     1.993   77.143   76.286
LGA    M    24_B      M    24_B     1.314     0    0.025   0.887     2.012   81.429   78.274
LGA    N    25_B      N    25_B     1.028     0    0.147   0.180     1.696   79.286   83.750
LGA    E    26_B      E    26_B     1.268     0    0.601   0.766     3.620   69.762   68.042
LGA    G    27_B      G    27_B     1.390     0    0.443   0.443     1.390   88.214   88.214
LGA    D    28_B      D    28_B     1.211     0    0.078   0.189     1.702   81.429   81.488
LGA    M    29_B      M    29_B     1.164     0    0.110   0.992     4.120   85.952   71.071
LGA    E    30_B      E    30_B     0.909     0    0.044   1.261     4.751   90.476   78.095
LGA    K    31_B      K    31_B     0.657     0    0.036   0.898     3.377   90.476   78.360
LGA    L    32_B      L    32_B     0.555     0    0.031   0.991     4.310   90.476   76.429
LGA    R    33_B      R    33_B     0.705     0    0.043   1.318     4.395   90.476   76.364
LGA    S    34_B      S    34_B     0.731     0    0.118   0.181     1.117   88.214   88.968
LGA    L    35_B      L    35_B     0.399     0    0.181   0.158     1.338   97.619   92.917
LGA    V    36_B      V    36_B     0.351     0    0.078   0.094     0.726   97.619   94.558
LGA    D    37_B      D    37_B     0.090     0    0.100   0.859     3.277  100.000   83.095
LGA    P    38_B      P    38_B     0.710     0    0.723   0.641     3.252   80.476   87.483
LGA    D    39_B      D    39_B     1.013     0    0.051   1.180     3.722   88.333   77.976
LGA    A    40_B      A    40_B     0.397     0    0.075   0.078     0.680   97.619   98.095
LGA    S    41_B      S    41_B     0.101     0    0.121   0.656     2.179  100.000   94.127
LGA    F    42_B      F    42_B     0.246     0    0.136   0.249     0.920   97.619   93.939
LGA    V    43_B      V    43_B     0.854     0    0.102   1.093     3.718   90.476   79.932
LGA    D    44_B      D    44_B     1.301     0    0.200   0.525     3.200   77.143   67.202
LGA    A    45_B      A    45_B     3.458     0    0.604   0.596     5.642   63.095   54.762
LGA    R    46_B      R    46_B     1.834     0    0.082   1.358     5.490   65.595   49.394
LGA    T    47_B      T    47_B     1.865     0    0.624   0.566     5.704   72.976   58.095
LGA    N    48_B      N    48_B     3.591     0    0.632   0.982     9.749   61.548   34.464
LGA    Q    49_B      Q    49_B     2.399     0    0.035   0.483     6.750   60.952   44.762
LGA    V    50_B      V    50_B     1.033     0    0.082   1.056     3.552   81.429   73.605
LGA    Y    51_B      Y    51_B     0.916     0    0.047   1.487     7.234   90.476   61.865
LGA    D    52_B      D    52_B     0.880     0    0.043   0.783     2.135   90.476   85.000
LGA    K    53_B      K    53_B     0.811     0    0.072   0.777     2.007   90.476   82.646
LGA    D    54_B      D    54_B     0.384     0    0.066   0.803     3.560  100.000   80.119
LGA    Q    55_B      Q    55_B     0.618     0    0.029   1.178     4.420   92.857   71.376
LGA    F    56_B      F    56_B     1.026     0    0.040   0.278     2.026   85.952   78.442
LGA    L    57_B      L    57_B     0.901     0    0.049   0.286     1.140   90.476   88.214
LGA    Q    58_B      Q    58_B     0.817     0    0.029   1.183     3.807   90.476   79.312
LGA    M    59_B      M    59_B     0.963     0    0.085   0.236     1.668   85.952   82.619
LGA    I    60_B      I    60_B     1.101     0    0.040   1.396     3.687   81.429   71.667
LGA    K    61_B      K    61_B     1.247     0    0.067   0.956     2.788   77.143   73.069
LGA    E    62_B      E    62_B     1.955     0    0.055   0.730     2.496   68.810   70.159
LGA    A    63_B      A    63_B     2.095     0    0.069   0.070     2.552   64.881   64.857
LGA    L    64_B      L    64_B     1.358     0    0.050   0.158     2.118   72.976   81.786
LGA    E    65_B      E    65_B     2.784     0    0.073   1.297     4.174   53.810   54.286
LGA    Q    66_B      Q    66_B     3.770     0    0.614   0.862     4.952   42.024   41.429
LGA    D    67_B      D    67_B     3.605     0    0.301   1.103     6.863   37.500   31.607
LGA    L    68_B      L    68_B     4.232     0    0.073   0.931     8.555   43.452   27.857
LGA    K    69_B      K    69_B     4.006     0    0.024   0.951     4.357   37.143   42.063
LGA    V    70_B      V    70_B     4.107     0    0.069   1.194     4.359   41.786   40.680
LGA    E    71_B      E    71_B     3.987     0    0.097   0.653     5.988   38.690   32.063
LGA    V    72_B      V    72_B     4.235     0    0.065   1.002     5.832   38.690   35.850
LGA    K    73_B      K    73_B     3.500     0    0.676   0.778     5.936   40.714   37.143
LGA    S    74_B      S    74_B     3.309     0    0.024   0.715     5.821   51.786   42.460
LGA    I    75_B      I    75_B     3.920     0    0.072   0.100     9.698   45.119   27.262
LGA    D    76_B      D    76_B     3.067     0    0.049   0.990     6.305   43.690   33.452
LGA    I    77_B      I    77_B     5.636     0    0.581   0.571    11.842   33.214   18.036
LGA    E    78_B      E    78_B     3.487     0    0.128   0.884     5.013   39.167   47.302
LGA    Q    79_B      Q    79_B     5.737     0    0.071   0.860    13.185   24.048   11.640
LGA    Q    80_B      Q    80_B     4.873     0    0.143   1.467     5.930   30.119   34.392
LGA    P    81_B      P    81_B     6.740     0    0.740   0.629    10.767   23.452   14.014
LGA    D    82_B      D    82_B     3.327     0    0.212   0.805     4.710   47.143   50.357
LGA    G    83_B      G    83_B     2.778     0    0.454   0.454     2.825   62.976   62.976
LGA    D    84_B      D    84_B     2.545     0    0.254   0.261     3.624   65.000   56.726
LGA    V    85_B      V    85_B     1.239     0    0.035   0.128     1.735   81.429   78.980
LGA    V    86_B      V    86_B     1.066     0    0.123   0.979     2.329   83.690   79.252
LGA    I    87_B      I    87_B     1.034     0    0.099   1.280     3.599   83.690   74.821
LGA    V    88_B      V    88_B     1.285     0    0.126   1.009     2.807   77.143   73.129
LGA    K    89_B      K    89_B     1.524     0    0.115   0.921     3.346   72.976   66.878
LGA    V    90_B      V    90_B     2.287     0    0.135   1.111     3.795   64.881   60.680
LGA    K    91_B      K    91_B     2.069     0    0.048   0.593     2.800   66.786   65.767
LGA    V    92_B      V    92_B     2.068     0    0.029   0.101     2.337   68.810   67.075
LGA    R    93_B      R    93_B     1.969     0    0.033   0.621     3.359   72.857   67.100
LGA    A    94_B      A    94_B     1.781     0    0.036   0.058     1.943   72.857   74.571
LGA    T    95_B      T    95_B     2.578     0    0.042   0.131     3.048   59.048   57.211
LGA    M    96_B      M    96_B     2.823     0    0.041   1.098     3.453   55.357   54.524
LGA    V    97_B      V    97_B     3.978     0    0.233   0.814     4.016   41.786   44.422
LGA    R    98_B      R    98_B     4.543     0    0.330   1.143     6.801   29.286   22.857
LGA    Q   101_B      Q   101_B     4.678     0    0.330   0.907    11.024   38.810   20.317
LGA    E   102_B      E   102_B     3.020     0    0.082   0.985     3.752   50.119   48.571
LGA    H   103_B      H   103_B     2.619     0    0.016   1.042     4.465   60.952   53.952
LGA    V   104_B      V   104_B     2.137     0    0.061   1.122     5.031   68.810   60.476
LGA    F   105_B      F   105_B     1.711     0    0.077   0.226     3.476   72.857   63.030
LGA    E   106_B      E   106_B     1.636     0    0.154   0.978     4.340   75.000   64.021
LGA    V   107_B      V   107_B     2.350     0    0.096   1.212     4.279   64.762   59.728
LGA    V   108_B      V   108_B     1.943     0    0.085   0.091     2.346   70.833   70.544
LGA    D   109_B      D   109_B     1.692     0    0.124   0.204     2.339   70.833   69.821
LGA    T   110_B      T   110_B     1.051     0    0.093   0.108     1.816   88.333   84.150
LGA    Y   111_B      Y   111_B     0.622     0    0.027   0.071     1.722   92.857   86.786
LGA    E   112_B      E   112_B     0.447     0    0.043   0.554     2.270  100.000   83.280
LGA    F   113_B      F   113_B     0.344     0    0.016   0.175     1.814   97.619   87.489
LGA    R   114_B      R   114_B     0.228     0    0.033   0.708     3.357  100.000   76.537
LGA    R   115_B      R   115_B     0.579     0    0.046   1.532     3.511   88.452   73.896
LGA    K   116_B      K   116_B     1.104     0    0.294   0.858     2.833   90.595   76.296
LGA    G   117_B      G   117_B     1.569     0    0.606   0.606     3.724   69.881   69.881
LGA    D   118_B      D   118_B     1.524     0    0.228   0.401     3.767   77.143   67.381
LGA    S   119_B      S   119_B     1.180     0    0.138   0.241     2.036   83.690   78.730
LGA    W   120_B      W   120_B     0.380     0    0.070   0.165     0.937  100.000   93.197
LGA    K   121_B      K   121_B     0.149     0    0.043   0.902     4.099  100.000   79.683
LGA    I   122_B      I   122_B     0.144     0    0.096   0.569     1.995   97.619   95.417
LGA    V   123_B      V   123_B     0.112     0    0.188   1.156     3.074   95.357   85.170
LGA    K   124_B      K   124_B     0.402     0    0.057   0.977     7.068   97.619   67.619
LGA    L   125_B      L   125_B     0.694     0    0.167   0.903     3.362   92.857   81.131
LGA    V   126_B      V   126_B     0.385     0    0.062   0.079     0.619   95.238   93.197
LGA    S   127_B      S   127_B     0.898     0    0.098   0.641     1.862   90.476   86.032
LGA    E   128_B      E   128_B     0.594     0    0.158   0.644     2.688   86.071   78.995
LGA    I   129_B      I   129_B     1.774     0    0.146   1.190     4.193   79.405   65.833
LGA    T   130_B      T   130_B     2.206     0    0.134   1.101     3.738   66.786   61.769
LGA    Q   131_B      Q   131_B     3.074     0    0.181   0.812     8.014   51.905   33.228
LGA    L   132_B      L   132_B     1.020     0    0.641   1.026     6.232   69.048   54.464
LGA    G   133_B      G   133_B     6.158     0    0.318   0.318     8.462   15.833   15.833
LGA    S   134_B      S   134_B     8.770     0    0.724   0.637    12.646    2.500    5.317

# 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):     2.365          2.413                  3.054           73.331   66.201

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    119    1.95    78.571    75.806     5.810

LGA_LOCAL      RMSD:   1.948  Number of atoms:  119  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.389  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.365  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.039958 * X  +   0.724256 * Y  +   0.688372 * Z  + -53.664017
  Y_new =   0.152506 * X  +   0.676430 * Y  +  -0.720544 * Z  +   2.745108
  Z_new =  -0.987494 * X  +   0.133772 * Y  +  -0.083425 * Z  +  31.477238 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.314550  1.412482  2.128414   [DEG:   75.3182   80.9293  121.9491 ]
ZXZ:  0.762567  1.654318 -1.436150   [DEG:   43.6919   94.7855  -82.2853 ]
 
# END of job
