
#######################################################
#                                                     #
#                        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  125 (  942),  selected  123 , name one
# Molecule2: number of CA atoms  125 (  939),  selected  123 , 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:   123       5_B - 127_B       1.83     1.83
  LCS_AVERAGE:     98.40

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123       5_B - 127_B       1.83     1.83
  LCS_AVERAGE:     98.40

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    39      58_B - 96_B        0.98     2.02
  LCS_AVERAGE:     20.69

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  123
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     Q     5_B     Q     5_B     24  123  123      6   74   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     L     6_B     L     6_B     24  123  123     20   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     V     7_B     V     7_B     24  123  123      8   62   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     E     8_B     E     8_B     24  123  123     20   75   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     S     9_B     S     9_B     24  123  123      5   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    10_B     G    10_B     24  123  123     33   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    11_B     G    11_B     24  123  123     28   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    12_B     G    12_B     24  123  123     26   74   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     L    13_B     L    13_B     24  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     V    14_B     V    14_B     24  123  123     29   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     Q    15_B     Q    15_B     24  123  123     23   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    16_B     A    16_B     24  123  123     26   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    17_B     G    17_B     24  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    18_B     G    18_B     24  123  123     36   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    19_B     S    19_B     24  123  123     18   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     L    20_B     L    20_B     24  123  123     29   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    21_B     G    21_B     24  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     L    22_B     L    22_B     24  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    23_B     S    23_B     24  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     C    24_B     C    24_B     24  123  123     32   74   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    25_B     A    25_B     24  123  123      5   39   89  100  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    26_B     A    26_B     24  123  123     34   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    27_B     S    27_B     24  123  123      8   73   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    28_B     G    28_B     24  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     R    29_B     R    29_B     23  123  123      3    9   15   72  101  108  114  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     T    30_B     T    30_B      3  123  123      3    4   59   99  107  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     F    31_B     F    31_B      3  123  123      3    3    3    4    5    8   12   44  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    32_B     S    32_B      7  123  123      3    7   41   64  100  110  115  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     N    33_B     N    33_B     24  123  123      6   39   89  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y    34_B     Y    34_B     24  123  123     27   74   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     V    35_B     V    35_B     24  123  123     27   75   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     M    36_B     M    36_B     24  123  123     36   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    37_B     A    37_B     24  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     W    38_B     W    38_B     24  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     F    39_B     F    39_B     24  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     R    40_B     R    40_B     24  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     Q    41_B     Q    41_B     24  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    42_B     A    42_B     24  123  123     33   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     P    43_B     P    43_B     24  123  123     30   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    44_B     G    44_B     24  123  123      5   67   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     K    45_B     K    45_B     24  123  123     32   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     E    46_B     E    46_B     24  123  123     38   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     R    47_B     R    47_B     24  123  123     38   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     E    48_B     E    48_B     24  123  123     38   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     F    49_B     F    49_B     24  123  123     49   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     V    50_B     V    50_B     24  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    51_B     A    51_B     24  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     R    52_B     R    52_B     24  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     I    53_B     I    53_B     24  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    54_B     S    54_B     24  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     E    55_B     E    55_B     24  123  123     27   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    56_B     S    56_B     24  123  123      5   35   89  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     R    57_B     R    57_B      4  123  123      3    3    4    5   13   78   94  114  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    58_B     G    58_B     39  123  123     15   72   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     T    59_B     T    59_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     T    60_B     T    60_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     D    61_B     D    61_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y    62_B     Y    62_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    63_B     A    63_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     D    64_B     D    64_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    65_B     S    65_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     V    66_B     V    66_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     K    67_B     K    67_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    68_B     G    68_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     R    69_B     R    69_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     F    70_B     F    70_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     T    71_B     T    71_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     I    72_B     I    72_B     39  123  123      9   63   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    73_B     S    73_B     39  123  123      3   10   36   99  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     R    74_B     R    74_B     39  123  123      3   12   43   96  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     D    75_B     D    75_B     39  123  123      3   22   56   96  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     N    76_B     N    76_B     39  123  123      3   12   43   91  107  113  116  117  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    77_B     A    77_B     39  123  123     11   63   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     K    78_B     K    78_B     39  123  123      8   56   96  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     N    79_B     N    79_B     39  123  123      8   63   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     T    80_B     T    80_B     39  123  123     27   74   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     I    81_B     I    81_B     39  123  123     19   73   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y    82_B     Y    82_B     39  123  123     27   75   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     L    83_B     L    83_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     Q    84_B     Q    84_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     M    85_B     M    85_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     N    86_B     N    86_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    87_B     S    87_B     39  123  123     46   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     L    88_B     L    88_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     N    89_B     N    89_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     P    90_B     P    90_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    91_B     G    91_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     D    92_B     D    92_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     T    93_B     T    93_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    94_B     A    94_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     V    95_B     V    95_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y    96_B     Y    96_B     39  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    97_B     S    97_B     27  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     C    98_B     C    98_B     27  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    99_B     A    99_B     27  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     A   100_B     A   100_B     27  123  123     48   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     T   101_B     T   101_B     27  123  123     23   73   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     L   102_B     L   102_B     27  123  123     12   45   89  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     P   103_B     P   103_B     27  123  123      9   34   71   98  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     A   104_B     A   104_B     27  123  123      9   36   76   99  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     W   105_B     W   105_B     27  123  123      9   36   86  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     T   106_B     T   106_B     27  123  123      5    6   41   95  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     G   107_B     G   107_B     26  123  123      5   26   64   95  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     I   108_B     I   108_B      3  123  123      3    3    5   43   62   98  112  117  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     I   109_B     I   109_B      3  123  123      3    3    5    8   39   49   95   99  113  120  121  123  123  123  123  123  123  123  123  123 
LCS_GDT     G   110_B     G   110_B      4  123  123      7   73   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     G   111_B     G   111_B      4  123  123      8   25   86  100  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     R   112_B     R   112_B      4  123  123      4   19   56   98  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     R   113_B     R   113_B      4  123  123      4   10   25   75  104  110  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     P   114_B     P   114_B      3  123  123      3    7    8   47   91  107  114  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     G   115_B     G   115_B      3  123  123      3   10   16   84  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     N   116_B     N   116_B     12  123  123     18   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y   117_B     Y   117_B     12  123  123     29   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     P   118_B     P   118_B     12  123  123     11   71   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y   119_B     Y   119_B     12  123  123     49   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     W   120_B     W   120_B     12  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     G   121_B     G   121_B     12  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     Q   122_B     Q   122_B     12  123  123     49   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     G   123_B     G   123_B     12  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     T   124_B     T   124_B     12  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     Q   125_B     Q   125_B     12  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     V   126_B     V   126_B     12  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_GDT     T   127_B     T   127_B     12  123  123     50   76   97  102  108  113  116  118  119  121  122  123  123  123  123  123  123  123  123  123 
LCS_AVERAGE  LCS_A:  72.50  (  20.69   98.40   98.40 )

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     50     76     97    102    108    113    116    118    119    121    122    123    123    123    123    123    123    123    123    123 
GDT PERCENT_AT  40.00  60.80  77.60  81.60  86.40  90.40  92.80  94.40  95.20  96.80  97.60  98.40  98.40  98.40  98.40  98.40  98.40  98.40  98.40  98.40
GDT RMS_LOCAL    0.34   0.55   0.82   0.96   1.14   1.29   1.38   1.50   1.53   1.68   1.74   1.83   1.83   1.83   1.83   1.83   1.83   1.83   1.83   1.83
GDT RMS_ALL_AT   2.05   2.02   1.90   1.86   1.85   1.85   1.84   1.84   1.85   1.84   1.84   1.83   1.83   1.83   1.83   1.83   1.83   1.83   1.83   1.83

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  Y    34_B      Y    34_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  D    61_B      D    61_B
#   possible swapping detected:  Y    62_B      Y    62_B
#   possible swapping detected:  D    75_B      D    75_B
#   possible swapping detected:  Y   119_B      Y   119_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     5_B      Q     5_B     0.924     0    0.650   1.265     7.691   82.143   47.884
LGA    L     6_B      L     6_B     0.647     0    0.047   0.861     2.896   88.214   81.012
LGA    V     7_B      V     7_B     1.497     0    0.122   0.865     3.842   81.429   74.898
LGA    E     8_B      E     8_B     1.040     0    0.026   1.002     2.270   85.952   84.762
LGA    S     9_B      S     9_B     1.084     0    0.126   0.497     1.639   85.952   83.016
LGA    G    10_B      G    10_B     0.943     0    0.711   0.711     3.027   80.357   80.357
LGA    G    11_B      G    11_B     1.110     0    0.035   0.035     1.530   86.190   86.190
LGA    G    12_B      G    12_B     1.204     0    0.077   0.077     1.204   90.595   90.595
LGA    L    13_B      L    13_B     0.456     0    0.062   1.130     2.187   95.238   86.429
LGA    V    14_B      V    14_B     0.549     0    0.122   1.155     2.972   95.238   85.918
LGA    Q    15_B      Q    15_B     0.777     0    0.069   1.348     5.639   90.476   71.376
LGA    A    16_B      A    16_B     0.895     0    0.086   0.086     1.108   90.476   88.667
LGA    G    17_B      G    17_B     0.632     0    0.058   0.058     0.710   92.857   92.857
LGA    G    18_B      G    18_B     0.686     0    0.100   0.100     0.929   90.476   90.476
LGA    S    19_B      S    19_B     1.088     0    0.070   0.759     2.742   83.690   80.397
LGA    L    20_B      L    20_B     1.015     0    0.023   0.832     2.752   85.952   84.107
LGA    G    21_B      G    21_B     0.642     0    0.078   0.078     1.138   88.214   88.214
LGA    L    22_B      L    22_B     0.539     0    0.040   0.056     0.623   90.476   91.667
LGA    S    23_B      S    23_B     0.638     0    0.032   0.144     1.269   85.952   87.460
LGA    C    24_B      C    24_B     1.294     0    0.095   0.180     1.550   79.286   80.000
LGA    A    25_B      A    25_B     2.314     0    0.047   0.046     2.791   70.952   68.190
LGA    A    26_B      A    26_B     1.422     0    0.038   0.041     2.288   72.976   72.952
LGA    S    27_B      S    27_B     1.449     0    0.158   0.243     2.261   77.262   75.794
LGA    G    28_B      G    28_B     1.400     0    0.629   0.629     5.251   57.619   57.619
LGA    R    29_B      R    29_B     4.105     0    0.515   1.086    15.421   54.048   21.861
LGA    T    30_B      T    30_B     2.477     0    0.154   0.294     4.381   57.381   53.401
LGA    F    31_B      F    31_B     5.436     0    0.320   1.484    15.215   31.667   12.468
LGA    S    32_B      S    32_B     4.308     0    0.266   0.573     5.937   40.238   35.635
LGA    N    33_B      N    33_B     2.346     0    0.573   1.195     3.724   59.167   59.345
LGA    Y    34_B      Y    34_B     0.733     0    0.052   1.329     9.908   90.476   52.222
LGA    V    35_B      V    35_B     0.719     0    0.104   0.922     2.095   88.214   82.993
LGA    M    36_B      M    36_B     1.015     0    0.022   1.241     4.285   83.690   71.012
LGA    A    37_B      A    37_B     1.252     0    0.049   0.055     1.253   81.429   81.429
LGA    W    38_B      W    38_B     1.048     0    0.040   0.190     1.353   85.952   89.932
LGA    F    39_B      F    39_B     1.005     0    0.037   0.163     1.199   88.214   88.009
LGA    R    40_B      R    40_B     0.779     0    0.020   0.986     3.185   90.476   85.238
LGA    Q    41_B      Q    41_B     0.897     0    0.043   0.291     1.433   90.476   88.466
LGA    A    42_B      A    42_B     1.092     0    0.031   0.040     1.293   83.690   83.238
LGA    P    43_B      P    43_B     1.147     0    0.115   0.387     1.898   83.690   81.497
LGA    G    44_B      G    44_B     1.816     0    0.131   0.131     1.816   72.857   72.857
LGA    K    45_B      K    45_B     1.532     0    0.092   0.849     4.913   79.405   65.661
LGA    E    46_B      E    46_B     1.513     0    0.123   0.656     2.024   77.143   82.751
LGA    R    47_B      R    47_B     1.556     0    0.089   1.001     3.370   72.857   69.524
LGA    E    48_B      E    48_B     1.164     0    0.063   0.440     1.603   83.690   81.481
LGA    F    49_B      F    49_B     1.033     0    0.014   0.116     2.235   85.952   76.926
LGA    V    50_B      V    50_B     0.754     0    0.147   0.161     0.854   90.476   90.476
LGA    A    51_B      A    51_B     0.921     0    0.030   0.041     1.013   88.214   86.857
LGA    R    52_B      R    52_B     1.045     0    0.035   1.204     5.151   85.952   72.814
LGA    I    53_B      I    53_B     0.962     0    0.057   0.235     1.511   88.214   83.750
LGA    S    54_B      S    54_B     0.764     0    0.060   0.164     0.897   90.476   90.476
LGA    E    55_B      E    55_B     1.057     0    0.157   0.489     1.982   81.548   89.683
LGA    S    56_B      S    56_B     1.879     0    0.442   0.453     2.715   71.071   68.968
LGA    R    57_B      R    57_B     5.517     0    0.097   1.193    16.662   34.762   13.333
LGA    G    58_B      G    58_B     1.152     0    0.102   0.102     2.582   75.357   75.357
LGA    T    59_B      T    59_B     0.541     0    0.083   0.876     2.486   92.857   85.646
LGA    T    60_B      T    60_B     0.543     0    0.027   0.236     0.925   92.857   91.837
LGA    D    61_B      D    61_B     0.478     0    0.006   0.717     1.920   95.238   89.524
LGA    Y    62_B      Y    62_B     0.326     0    0.033   0.089     0.761  100.000   96.032
LGA    A    63_B      A    63_B     0.366     0    0.025   0.031     0.400  100.000  100.000
LGA    D    64_B      D    64_B     0.462     0    0.111   0.143     1.521  100.000   90.774
LGA    S    65_B      S    65_B     0.598     0    0.063   0.164     1.113   97.619   93.730
LGA    V    66_B      V    66_B     0.375     0    0.055   0.178     0.961  100.000   95.918
LGA    K    67_B      K    67_B     0.302     0    0.012   0.702     4.626  100.000   76.931
LGA    G    68_B      G    68_B     0.358     0    0.080   0.080     0.382  100.000  100.000
LGA    R    69_B      R    69_B     0.370     0    0.053   1.512     8.563  100.000   65.498
LGA    F    70_B      F    70_B     0.430     0    0.033   0.228     0.877  100.000   98.268
LGA    T    71_B      T    71_B     0.214     0    0.024   0.971     2.032   95.238   87.007
LGA    I    72_B      I    72_B     1.131     0    0.029   1.149     3.403   77.381   71.250
LGA    S    73_B      S    73_B     2.463     0    0.190   0.526     2.696   62.976   61.032
LGA    R    74_B      R    74_B     3.024     0    0.047   1.197    10.761   51.786   28.485
LGA    D    75_B      D    75_B     3.136     0    0.103   0.319     4.478   50.000   45.179
LGA    N    76_B      N    76_B     3.599     0    0.453   0.850     5.819   37.976   40.179
LGA    A    77_B      A    77_B     1.625     0    0.601   0.592     4.865   54.643   61.810
LGA    K    78_B      K    78_B     1.797     0    0.034   0.829     3.348   70.833   67.672
LGA    N    79_B      N    79_B     1.593     0    0.304   0.544     2.427   72.976   69.881
LGA    T    80_B      T    80_B     0.803     0    0.177   1.270     2.751   83.810   78.231
LGA    I    81_B      I    81_B     0.982     0    0.081   1.598     6.254   90.476   70.119
LGA    Y    82_B      Y    82_B     0.586     0    0.076   0.226     3.130   88.214   76.230
LGA    L    83_B      L    83_B     0.522     0    0.047   0.263     0.786   90.476   91.667
LGA    Q    84_B      Q    84_B     0.544     0    0.086   0.100     1.137   95.238   90.582
LGA    M    85_B      M    85_B     0.641     0    0.029   0.236     1.202   90.476   88.214
LGA    N    86_B      N    86_B     0.824     0    0.039   0.364     1.531   90.476   88.274
LGA    S    87_B      S    87_B     0.928     0    0.034   0.167     1.743   90.476   86.032
LGA    L    88_B      L    88_B     0.667     0    0.125   0.248     1.099   90.476   90.536
LGA    N    89_B      N    89_B     0.615     0    0.056   1.049     4.451   92.857   77.619
LGA    P    90_B      P    90_B     0.481     0    0.052   0.045     0.576   95.238   94.558
LGA    G    91_B      G    91_B     0.366     0    0.035   0.035     0.427  100.000  100.000
LGA    D    92_B      D    92_B     0.163     0    0.037   0.261     0.746  100.000   98.810
LGA    T    93_B      T    93_B     0.235     0    0.037   0.137     0.474  100.000  100.000
LGA    A    94_B      A    94_B     0.457     0    0.033   0.035     0.483  100.000  100.000
LGA    V    95_B      V    95_B     0.376     0    0.041   0.127     0.669   95.238   95.918
LGA    Y    96_B      Y    96_B     0.407     0    0.015   0.077     0.670   95.238   97.619
LGA    S    97_B      S    97_B     0.839     0    0.040   0.037     0.936   90.476   90.476
LGA    C    98_B      C    98_B     0.782     0    0.043   0.727     2.657   90.476   84.921
LGA    A    99_B      A    99_B     0.916     0    0.093   0.089     1.009   90.476   88.667
LGA    A   100_B      A   100_B     0.492     0    0.068   0.084     0.710   97.619   96.190
LGA    T   101_B      T   101_B     1.039     0    0.040   0.074     1.732   83.690   81.497
LGA    L   102_B      L   102_B     2.185     0    0.029   0.175     2.524   66.786   64.821
LGA    P   103_B      P   103_B     3.018     0    0.106   0.337     3.401   55.357   53.061
LGA    A   104_B      A   104_B     2.866     0    0.135   0.139     2.866   57.143   57.143
LGA    W   105_B      W   105_B     2.334     0    0.069   0.554     4.693   59.048   56.973
LGA    T   106_B      T   106_B     3.534     0    0.014   0.095     4.035   46.667   44.354
LGA    G   107_B      G   107_B     3.270     0    0.540   0.540     3.270   57.500   57.500
LGA    I   108_B      I   108_B     5.688     0    0.209   1.427    10.400   19.286   11.071
LGA    I   109_B      I   109_B     6.919     0    0.478   0.900    13.465   22.024   11.190
LGA    G   110_B      G   110_B     0.876     0    0.556   0.556     2.597   73.452   73.452
LGA    G   111_B      G   111_B     2.082     0    0.179   0.179     2.286   68.929   68.929
LGA    R   112_B      R   112_B     2.703     0    0.435   1.071     5.143   55.595   51.818
LGA    R   113_B      R   113_B     3.434     0    0.606   1.020    13.112   48.333   22.338
LGA    P   114_B      P   114_B     4.540     0    0.707   0.647     7.353   37.381   28.435
LGA    G   115_B      G   115_B     2.841     0    0.125   0.125     3.152   59.286   59.286
LGA    N   116_B      N   116_B     1.787     0    0.087   0.142     3.828   73.333   60.893
LGA    Y   117_B      Y   117_B     0.784     0    0.147   0.305     1.499   88.214   85.198
LGA    P   118_B      P   118_B     1.041     0    0.062   0.337     1.365   88.214   87.891
LGA    Y   119_B      Y   119_B     0.474     0    0.032   0.385     2.382  100.000   83.452
LGA    W   120_B      W   120_B     0.644     0    0.060   0.157     1.295   88.214   87.245
LGA    G   121_B      G   121_B     0.427     0    0.026   0.026     0.427  100.000  100.000
LGA    Q   122_B      Q   122_B     0.344     0    0.680   1.359     7.368   85.119   61.693
LGA    G   123_B      G   123_B     0.886     0    0.092   0.092     1.415   92.976   92.976
LGA    T   124_B      T   124_B     0.425     0    0.064   1.121     2.900  100.000   88.639
LGA    Q   125_B      Q   125_B     0.143     0    0.040   0.905     4.043  100.000   82.698
LGA    V   126_B      V   126_B     0.262     0    0.091   0.210     0.694   97.619   97.279
LGA    T   127_B      T   127_B     0.307     0    0.029   0.965     2.300  100.000   91.088

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      123     492    492  100.00     926    926  100.00               125
SUMMARY(RMSD_GDC):     1.834          1.827                  3.141           79.592   74.406

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  125  125    4.0    118    1.50    83.800    90.635     7.375

LGA_LOCAL      RMSD:   1.500  Number of atoms:  118  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.845  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   1.834  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.764555 * X  +  -0.400519 * Y  +  -0.505015 * Z  +  84.551254
  Y_new =  -0.642832 * X  +   0.531125 * Y  +   0.551972 * Z  + -53.072449
  Z_new =   0.047151 * X  +   0.746653 * Y  +  -0.663541 * Z  + -24.070232 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.442469 -0.047168  2.297326   [DEG: -139.9432   -2.7025  131.6271 ]
ZXZ: -2.400591  2.296338  0.063066   [DEG: -137.5437  131.5705    3.6134 ]
 
# END of job
