
#######################################################
#                                                     #
#                        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  124 (  941),  selected  124 , name one
# Molecule2: number of CA atoms  124 (  941),  selected  124 , 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:   124       1_B - 124_B       2.56     2.56
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100       1_B - 100_B       1.85     2.63
  LONGEST_CONTINUOUS_SEGMENT:   100       2_B - 101_B       1.99     2.59
  LCS_AVERAGE:     68.18

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    97       2_B - 98_B        1.00     2.69
  LCS_AVERAGE:     63.14

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
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     1_B     Q     1_B      5  100  124      3    5    9   16   21   59  105  114  116  117  117  118  118  118  120  122  123  124  124  124 
LCS_GDT     V     2_B     V     2_B     97  100  124      3   12   65   99  108  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     Q     3_B     Q     3_B     97  100  124     46   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     L     4_B     L     4_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     V     5_B     V     5_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     E     6_B     E     6_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     S     7_B     S     7_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     G     8_B     G     8_B     97  100  124     40   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     G     9_B     G     9_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     G    10_B     G    10_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     S    11_B     S    11_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     V    12_B     V    12_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     Q    13_B     Q    13_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     A    14_B     A    14_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     G    15_B     G    15_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     G    16_B     G    16_B     97  100  124     59   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     S    17_B     S    17_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     L    18_B     L    18_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     R    19_B     R    19_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     L    20_B     L    20_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     S    21_B     S    21_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     C    22_B     C    22_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     A    23_B     A    23_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     A    24_B     A    24_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     S    25_B     S    25_B     97  100  124     40   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     G    26_B     G    26_B     97  100  124     25   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     S    27_B     S    27_B     97  100  124     43   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     T    28_B     T    28_B     97  100  124     55   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     V    29_B     V    29_B     97  100  124     64   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     S    30_B     S    30_B     97  100  124     38   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     A    31_B     A    31_B     97  100  124     62   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     Y    32_B     Y    32_B     97  100  124     62   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     Y    33_B     Y    33_B     97  100  124      7   90  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     M    34_B     M    34_B     97  100  124     32   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     A    35_B     A    35_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     W    36_B     W    36_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     F    37_B     F    37_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     R    38_B     R    38_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     Q    39_B     Q    39_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     A    40_B     A    40_B     97  100  124     52   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     P    41_B     P    41_B     97  100  124      6   26  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     G    42_B     G    42_B     97  100  124      7   12   46  102  109  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     K    43_B     K    43_B     97  100  124     22   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     G    44_B     G    44_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     R    45_B     R    45_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     E    46_B     E    46_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     G    47_B     G    47_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     V    48_B     V    48_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     A    49_B     A    49_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     V    50_B     V    50_B     97  100  124     70   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     I    51_B     I    51_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     G    52_B     G    52_B     97  100  124     16   26   88  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     G    53_B     G    53_B     97  100  124      4   35   94  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     S    54_B     S    54_B     97  100  124      3    3   51   68   99  108  112  115  116  117  117  118  118  120  122  122  123  124  124  124 
LCS_GDT     G    55_B     G    55_B     97  100  124     40   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     V    56_B     V    56_B     97  100  124     64   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     Y    57_B     Y    57_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     A    58_B     A    58_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     D    59_B     D    59_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     A    60_B     A    60_B     97  100  124     65   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     V    61_B     V    61_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     K    62_B     K    62_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     G    63_B     G    63_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     R    64_B     R    64_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     F    65_B     F    65_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     T    66_B     T    66_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     I    67_B     I    67_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     S    68_B     S    68_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     Q    69_B     Q    69_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     D    70_B     D    70_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     N    71_B     N    71_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     A    72_B     A    72_B     97  100  124     69   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     K    73_B     K    73_B     97  100  124     38   95  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     N    74_B     N    74_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     T    75_B     T    75_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     L    76_B     L    76_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     Y    77_B     Y    77_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     L    78_B     L    78_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     Q    79_B     Q    79_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     M    80_B     M    80_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     N    81_B     N    81_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     S    82_B     S    82_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     L    83_B     L    83_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     K    84_B     K    84_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     P    85_B     P    85_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     E    86_B     E    86_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     D    87_B     D    87_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     T    88_B     T    88_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     A    89_B     A    89_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     M    90_B     M    90_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     Y    91_B     Y    91_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     Y    92_B     Y    92_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     C    93_B     C    93_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     A    94_B     A    94_B     97  100  124     66   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     A    95_B     A    95_B     97  100  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     Y    96_B     Y    96_B     97  100  124      3   91  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     W    97_B     W    97_B     97  100  124     53   91  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     K    98_B     K    98_B     97  100  124      0    8   17   99  107  111  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     G    99_B     G    99_B      4  100  124      3    4    5    6   10   23   38   71  102  114  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     Y   100_B     Y   100_B      5  100  124      3    5    5    6    6    7   10   14   21   30   51   90   94  117  122  122  123  124  124  124 
LCS_GDT     K   101_B     K   101_B      5  100  124      3    5    5    6   10   17   27   47   67   81  107  118  120  121  122  122  123  124  124  124 
LCS_GDT     Y   102_B     Y   102_B      5    6  124      3    5    5    6   19   29   47   72   93  110  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     H   103_B     H   103_B      5    6  124      3    5    5    7   10   15   21   58   71   89  115  118  120  121  122  122  123  124  124  124 
LCS_GDT     P   104_B     P   104_B      5    6  124      3    5    5    6    6    8   19   21   27   30   76  118  120  121  122  122  123  124  124  124 
LCS_GDT     K   105_B     K   105_B      3    5  124      3    3    4    8   27   79  102  112  115  116  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     F   106_B     F   106_B      7   19  124     26   55   98  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     D   107_B     D   107_B      8   19  124      4   35   94  104  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     D   108_B     D   108_B      8   19  124      4   27   60  104  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     S   109_B     S   109_B     15   19  124      4   11   60   96  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     A   110_B     A   110_B     15   19  124      3   21   52  104  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     Y   111_B     Y   111_B     15   19  124      6   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     E   112_B     E   112_B     15   19  124      3   14  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     Y   113_B     Y   113_B     15   19  124     22   95  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     W   114_B     W   114_B     15   19  124     27   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     G   115_B     G   115_B     15   19  124     41   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     Q   116_B     Q   116_B     15   19  124     68   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     G   117_B     G   117_B     15   19  124     65   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     T   118_B     T   118_B     15   19  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     Q   119_B     Q   119_B     15   19  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     V   120_B     V   120_B     15   19  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     T   121_B     T   121_B     15   19  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     V   122_B     V   122_B     15   19  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     S   123_B     S   123_B     15   19  124     72   97  103  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_GDT     S   124_B     S   124_B     15   19  124      9   61   98  106  110  113  115  115  116  117  117  118  120  121  122  122  123  124  124  124 
LCS_AVERAGE  LCS_A:  77.11  (  63.14   68.18  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     72     97    103    106    110    113    115    115    116    117    117    118    120    121    122    122    123    124    124    124 
GDT PERCENT_AT  58.06  78.23  83.06  85.48  88.71  91.13  92.74  92.74  93.55  94.35  94.35  95.16  96.77  97.58  98.39  98.39  99.19 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.52   0.61   0.70   0.86   0.97   1.07   1.07   1.16   1.28   1.28   1.40   2.07   2.26   2.31   2.19   2.38   2.56   2.56   2.56
GDT RMS_ALL_AT   2.63   2.67   2.66   2.64   2.67   2.67   2.66   2.66   2.67   2.69   2.69   2.67   2.57   2.56   2.56   2.57   2.56   2.56   2.56   2.56

# Checking swapping
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  F    37_B      F    37_B
#   possible swapping detected:  Y    57_B      Y    57_B
#   possible swapping detected:  E    86_B      E    86_B
#   possible swapping detected:  Y    92_B      Y    92_B
#   possible swapping detected:  Y    96_B      Y    96_B
#   possible swapping detected:  Y   100_B      Y   100_B
#   possible swapping detected:  Y   102_B      Y   102_B
#   possible swapping detected:  F   106_B      F   106_B
#   possible swapping detected:  E   112_B      E   112_B
#   possible swapping detected:  Y   113_B      Y   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     6.052     0    0.137   1.248     7.283   22.738   18.995
LGA    V     2_B      V     2_B     3.341     0    0.098   1.008     5.381   46.905   43.878
LGA    Q     3_B      Q     3_B     0.993     0    0.088   1.063     5.258   90.595   71.217
LGA    L     4_B      L     4_B     0.337     0    0.054   0.100     0.503   97.619   98.810
LGA    V     5_B      V     5_B     0.523     0    0.017   1.071     2.826   92.857   82.313
LGA    E     6_B      E     6_B     0.599     0    0.020   0.276     0.989   92.857   91.534
LGA    S     7_B      S     7_B     0.628     0    0.032   0.069     0.721   90.476   90.476
LGA    G     8_B      G     8_B     0.844     0    0.035   0.035     0.966   90.476   90.476
LGA    G     9_B      G     9_B     0.544     0    0.074   0.074     1.066   88.214   88.214
LGA    G    10_B      G    10_B     0.592     0    0.048   0.048     0.592   97.619   97.619
LGA    S    11_B      S    11_B     0.174     0    0.070   0.794     2.216   97.619   92.540
LGA    V    12_B      V    12_B     0.312     0    0.145   1.029     2.161   97.619   87.211
LGA    Q    13_B      Q    13_B     0.287     0    0.073   1.570     6.491   97.619   69.153
LGA    A    14_B      A    14_B     0.264     0    0.043   0.050     0.464  100.000  100.000
LGA    G    15_B      G    15_B     0.358     0    0.063   0.063     0.583   97.619   97.619
LGA    G    16_B      G    16_B     0.583     0    0.052   0.052     0.583   95.238   95.238
LGA    S    17_B      S    17_B     0.342     0    0.044   0.681     2.355   97.619   92.540
LGA    L    18_B      L    18_B     0.399     0    0.072   0.913     3.308  100.000   85.774
LGA    R    19_B      R    19_B     0.282     0    0.041   0.250     0.963  100.000   95.671
LGA    L    20_B      L    20_B     0.483     0    0.015   1.005     2.600  100.000   90.238
LGA    S    21_B      S    21_B     0.664     0    0.036   0.638     1.540   90.476   87.540
LGA    C    22_B      C    22_B     0.732     0    0.034   0.104     1.258   90.476   88.968
LGA    A    23_B      A    23_B     0.606     0    0.050   0.097     0.718   95.238   94.286
LGA    A    24_B      A    24_B     0.320     0    0.038   0.043     0.583   97.619   98.095
LGA    S    25_B      S    25_B     0.984     0    0.048   0.616     3.319   85.952   79.206
LGA    G    26_B      G    26_B     1.258     0    0.123   0.123     1.595   79.286   79.286
LGA    S    27_B      S    27_B     1.191     0    0.052   0.507     3.224   81.429   76.190
LGA    T    28_B      T    28_B     0.880     0    0.052   0.176     1.107   92.857   89.252
LGA    V    29_B      V    29_B     0.668     0    0.030   1.241     2.857   90.476   83.197
LGA    S    30_B      S    30_B     0.906     0    0.035   0.068     1.089   88.214   85.952
LGA    A    31_B      A    31_B     0.576     0    0.113   0.116     1.522   88.452   90.762
LGA    Y    32_B      Y    32_B     0.632     0    0.070   0.136     1.705   92.857   86.825
LGA    Y    33_B      Y    33_B     1.101     0    0.181   0.452     3.752   85.952   69.008
LGA    M    34_B      M    34_B     0.660     0    0.073   1.147     4.564   88.214   71.905
LGA    A    35_B      A    35_B     0.525     0    0.036   0.061     0.613   92.857   92.381
LGA    W    36_B      W    36_B     0.300     0    0.022   0.056     0.413  100.000  100.000
LGA    F    37_B      F    37_B     0.278     0    0.057   0.319     1.520  100.000   90.736
LGA    R    38_B      R    38_B     0.213     0    0.038   0.313     0.738  100.000   97.403
LGA    Q    39_B      Q    39_B     0.125     0    0.122   0.197     0.340  100.000  100.000
LGA    A    40_B      A    40_B     0.795     0    0.083   0.086     1.293   85.952   85.048
LGA    P    41_B      P    41_B     1.681     0    0.022   0.379     2.894   70.952   68.367
LGA    G    42_B      G    42_B     2.713     0    0.133   0.133     3.190   57.262   57.262
LGA    K    43_B      K    43_B     1.448     0    0.059   0.751     4.710   83.810   65.926
LGA    G    44_B      G    44_B     0.340     0    0.052   0.052     0.681   95.238   95.238
LGA    R    45_B      R    45_B     0.586     0    0.078   1.250     7.341   92.857   65.844
LGA    E    46_B      E    46_B     0.627     0    0.052   0.515     2.404   95.238   87.725
LGA    G    47_B      G    47_B     0.272     0    0.044   0.044     0.305  100.000  100.000
LGA    V    48_B      V    48_B     0.365     0    0.044   0.099     0.536  100.000   98.639
LGA    A    49_B      A    49_B     0.450     0    0.044   0.059     0.503  100.000   98.095
LGA    V    50_B      V    50_B     0.423     0    0.041   0.110     0.532  100.000   98.639
LGA    I    51_B      I    51_B     0.395     0    0.128   1.006     2.950   88.571   74.762
LGA    G    52_B      G    52_B     2.469     0    0.300   0.300     3.424   61.190   61.190
LGA    G    53_B      G    53_B     2.330     0    0.430   0.430     2.330   66.786   66.786
LGA    S    54_B      S    54_B     5.030     0    0.441   0.618     7.622   29.405   21.984
LGA    G    55_B      G    55_B     1.288     0    0.098   0.098     2.004   79.524   79.524
LGA    V    56_B      V    56_B     0.868     0    0.065   0.117     2.133   92.857   84.354
LGA    Y    57_B      Y    57_B     0.195     0    0.037   0.112     0.536  100.000   98.413
LGA    A    58_B      A    58_B     0.311     0    0.066   0.066     0.448  100.000  100.000
LGA    D    59_B      D    59_B     0.320     0    0.037   0.149     1.436  100.000   94.107
LGA    A    60_B      A    60_B     0.576     0    0.090   0.089     1.054   90.595   90.571
LGA    V    61_B      V    61_B     0.094     0    0.076   0.128     0.595  100.000   98.639
LGA    K    62_B      K    62_B     0.196     0    0.054   1.010     3.607   97.619   84.762
LGA    G    63_B      G    63_B     0.373     0    0.108   0.108     0.881   97.619   97.619
LGA    R    64_B      R    64_B     0.218     0    0.031   0.178     0.766  100.000   95.671
LGA    F    65_B      F    65_B     0.162     0    0.052   0.229     0.769  100.000   98.268
LGA    T    66_B      T    66_B     0.352     0    0.048   0.990     2.236  100.000   89.728
LGA    I    67_B      I    67_B     0.407     0    0.022   1.139     2.845   95.238   84.464
LGA    S    68_B      S    68_B     0.673     0    0.048   0.153     0.761   90.476   90.476
LGA    Q    69_B      Q    69_B     0.491     0    0.096   0.459     1.295   92.857   91.640
LGA    D    70_B      D    70_B     0.611     0    0.030   0.182     1.530   90.476   86.012
LGA    N    71_B      N    71_B     0.683     0    0.072   1.112     2.850   90.476   84.107
LGA    A    72_B      A    72_B     0.841     0    0.108   0.106     1.073   88.214   88.667
LGA    K    73_B      K    73_B     1.108     0    0.090   0.614     5.303   88.214   72.804
LGA    N    74_B      N    74_B     0.319     0    0.085   0.981     2.566   97.619   88.869
LGA    T    75_B      T    75_B     0.332     0    0.088   0.132     0.719   97.619   97.279
LGA    L    76_B      L    76_B     0.504     0    0.102   0.451     2.442   92.857   85.238
LGA    Y    77_B      Y    77_B     0.400     0    0.034   0.115     0.494  100.000  100.000
LGA    L    78_B      L    78_B     0.435     0    0.026   0.099     0.480  100.000  100.000
LGA    Q    79_B      Q    79_B     0.269     0    0.013   0.887     3.659  100.000   86.772
LGA    M    80_B      M    80_B     0.248     0    0.037   0.124     0.313  100.000  100.000
LGA    N    81_B      N    81_B     0.260     0    0.028   0.131     0.528  100.000   98.810
LGA    S    82_B      S    82_B     0.261     0    0.030   0.713     2.009  100.000   94.127
LGA    L    83_B      L    83_B     0.262     0    0.021   0.122     0.927  100.000   97.619
LGA    K    84_B      K    84_B     0.253     0    0.022   0.674     1.763  100.000   93.862
LGA    P    85_B      P    85_B     0.341     0    0.093   0.097     0.588  100.000   95.918
LGA    E    86_B      E    86_B     0.274     0    0.087   1.419     6.061  100.000   75.026
LGA    D    87_B      D    87_B     0.093     0    0.019   0.116     0.417  100.000  100.000
LGA    T    88_B      T    88_B     0.159     0    0.026   0.102     0.502  100.000   98.639
LGA    A    89_B      A    89_B     0.218     0    0.043   0.056     0.558  100.000   98.095
LGA    M    90_B      M    90_B     0.250     0    0.020   1.159     3.877  100.000   81.250
LGA    Y    91_B      Y    91_B     0.143     0    0.024   0.104     0.302  100.000  100.000
LGA    Y    92_B      Y    92_B     0.344     0    0.070   0.117     0.586  100.000   97.619
LGA    C    93_B      C    93_B     0.419     0    0.036   0.168     0.845  100.000   98.413
LGA    A    94_B      A    94_B     0.549     0    0.073   0.069     0.692   97.619   96.190
LGA    A    95_B      A    95_B     0.210     0    0.053   0.065     0.792   97.619   98.095
LGA    Y    96_B      Y    96_B     1.278     0    0.018   0.385     5.016   88.214   60.714
LGA    W    97_B      W    97_B     1.485     0    0.586   0.900     6.950   77.143   46.531
LGA    K    98_B      K    98_B     3.619     0    0.654   0.620    13.052   37.738   20.317
LGA    G    99_B      G    99_B     8.833     0    0.717   0.717    10.782    4.167    4.167
LGA    Y   100_B      Y   100_B    11.536     0    0.608   1.411    18.869    0.000    0.000
LGA    K   101_B      K   101_B     9.891     0    0.448   0.650    11.469    0.119    0.053
LGA    Y   102_B      Y   102_B     9.964     0    0.052   1.034    12.552    0.238    0.079
LGA    H   103_B      H   103_B    10.333     0    0.442   1.339    13.378    0.952    0.381
LGA    P   104_B      P   104_B    11.283     0    0.110   0.270    15.611    1.429    0.816
LGA    K   105_B      K   105_B     6.425     0    0.354   1.071     8.073   18.690   14.709
LGA    F   106_B      F   106_B     1.976     0    0.534   1.234     6.354   66.905   47.662
LGA    D   107_B      D   107_B     2.834     0    0.209   0.563     4.092   57.262   51.190
LGA    D   108_B      D   108_B     2.830     0    0.202   1.263     5.349   59.048   50.774
LGA    S   109_B      S   109_B     3.342     0    0.089   0.692     4.396   55.476   52.698
LGA    A   110_B      A   110_B     2.549     0    0.035   0.061     3.254   65.000   62.000
LGA    Y   111_B      Y   111_B     0.737     0    0.057   0.155     2.040   90.595   83.175
LGA    E   112_B      E   112_B     1.790     0    0.624   1.010     6.969   67.619   48.730
LGA    Y   113_B      Y   113_B     1.598     0    0.494   0.482     3.162   67.143   78.175
LGA    W   114_B      W   114_B     0.920     0    0.055   0.118     1.549   83.810   88.571
LGA    G   115_B      G   115_B     0.728     0    0.056   0.056     0.843   90.476   90.476
LGA    Q   116_B      Q   116_B     0.486     0    0.107   1.104     3.344   97.619   85.344
LGA    G   117_B      G   117_B     0.508     0    0.081   0.081     0.600   95.238   95.238
LGA    T   118_B      T   118_B     0.314     0    0.029   1.305     2.910  100.000   88.844
LGA    Q   119_B      Q   119_B     0.340     0    0.031   0.232     1.102  100.000   94.762
LGA    V   120_B      V   120_B     0.150     0    0.049   0.057     0.422  100.000  100.000
LGA    T   121_B      T   121_B     0.376     0    0.041   0.079     0.633  100.000   98.639
LGA    V   122_B      V   122_B     0.269     0    0.091   0.100     0.640  100.000   97.279
LGA    S   123_B      S   123_B     0.233     0    0.091   0.671     3.522   88.571   79.841
LGA    S   124_B      S   124_B     2.499     0    0.092   0.085     3.926   61.667   57.857

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00     941    941  100.00               124
SUMMARY(RMSD_GDC):     2.562          2.524                  3.367           84.790   79.651

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  124    4.0    115    1.07    88.710    84.774     9.850

LGA_LOCAL      RMSD:   1.067  Number of atoms:  115  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.659  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   2.562  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.483995 * X  +   0.507883 * Y  +  -0.712603 * Z  +  -4.403975
  Y_new =  -0.575915 * X  +   0.428240 * Y  +   0.696371 * Z  +  -4.944278
  Z_new =   0.658841 * X  +   0.747439 * Y  +   0.085232 * Z  +  20.660360 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.269686 -0.719277  1.457255   [DEG: -130.0434  -41.2115   83.4946 ]
ZXZ: -2.344674  1.485461  0.722480   [DEG: -134.3399   85.1107   41.3950 ]
 
# END of job
