
#######################################################
#                                                     #
#                        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  126 (  983),  selected  126 , name one
# Molecule2: number of CA atoms  126 (  983),  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       1_B - 126_B       2.74     2.74
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104       1_B - 104_B       2.00     2.75
  LCS_AVERAGE:     70.42

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       1_B - 101_B       0.75     2.88
  LCS_AVERAGE:     66.02

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     1_B     E     1_B    101  104  126     10   62  110  114  114  115  116  117  118  119  119  119  120  123  123  124  125  126  126  126 
LCS_GDT     V     2_B     V     2_B    101  104  126     36  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     Q     3_B     Q     3_B    101  104  126     91  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     L     4_B     L     4_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     Q     5_B     Q     5_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     E     6_B     E     6_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     S     7_B     S     7_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     G     8_B     G     8_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     G     9_B     G     9_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     G    10_B     G    10_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     L    11_B     L    11_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     V    12_B     V    12_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     Q    13_B     Q    13_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     P    14_B     P    14_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     G    15_B     G    15_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     G    16_B     G    16_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     S    17_B     S    17_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     L    18_B     L    18_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     R    19_B     R    19_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     L    20_B     L    20_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     S    21_B     S    21_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     C    22_B     C    22_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     A    23_B     A    23_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     A    24_B     A    24_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     S    25_B     S    25_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     G    26_B     G    26_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     F    27_B     F    27_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     R    28_B     R    28_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     F    29_B     F    29_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     S    30_B     S    30_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     S    31_B     S    31_B    101  104  126     49  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     Y    32_B     Y    32_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     W    33_B     W    33_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     M    34_B     M    34_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     Y    35_B     Y    35_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     W    36_B     W    36_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     V    37_B     V    37_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     R    38_B     R    38_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     Q    39_B     Q    39_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     A    40_B     A    40_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     P    41_B     P    41_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     G    42_B     G    42_B    101  104  126     87  107  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     K    43_B     K    43_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     G    44_B     G    44_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     L    45_B     L    45_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     E    46_B     E    46_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     W    47_B     W    47_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     V    48_B     V    48_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     S    49_B     S    49_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     A    50_B     A    50_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     I    51_B     I    51_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     N    52_B     N    52_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     S    53_B     S    53_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     S    54_B     S    54_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     G    55_B     G    55_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     G    56_B     G    56_B    101  104  126      6   84  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     Y    57_B     Y    57_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     T    58_B     T    58_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     R    59_B     R    59_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     Y    60_B     Y    60_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     A    61_B     A    61_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     D    62_B     D    62_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     S    63_B     S    63_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     V    64_B     V    64_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     K    65_B     K    65_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     G    66_B     G    66_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     R    67_B     R    67_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     F    68_B     F    68_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     T    69_B     T    69_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     I    70_B     I    70_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     S    71_B     S    71_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     R    72_B     R    72_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     D    73_B     D    73_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     N    74_B     N    74_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     A    75_B     A    75_B    101  104  126     91  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     K    76_B     K    76_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     N    77_B     N    77_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     T    78_B     T    78_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     L    79_B     L    79_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     Y    80_B     Y    80_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     L    81_B     L    81_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     Q    82_B     Q    82_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     M    83_B     M    83_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     N    84_B     N    84_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     S    85_B     S    85_B    101  104  126     69  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     L    86_B     L    86_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     R    87_B     R    87_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     A    88_B     A    88_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     E    89_B     E    89_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     D    90_B     D    90_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     T    91_B     T    91_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     A    92_B     A    92_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     V    93_B     V    93_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     Y    94_B     Y    94_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     Y    95_B     Y    95_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     C    96_B     C    96_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     A    97_B     A    97_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     T    98_B     T    98_B    101  104  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     D    99_B     D    99_B    101  104  126      5   90  109  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     S   100_B     S   100_B    101  104  126      3    5   27   64  111  114  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     G   101_B     G   101_B    101  104  126      9   28   76  106  112  114  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     D   102_B     D   102_B      4  104  126      3    4   19   37   64  100  109  114  116  117  118  120  122  123  123  124  125  126  126  126 
LCS_GDT     G   103_B     G   103_B      5  104  126      3    4    7    8    9   13   16   25   71   80  112  120  122  123  123  124  125  126  126  126 
LCS_GDT     K   104_B     K   104_B      5  104  126      3    4    7    8   11   17   24   60   71  101  113  120  122  123  123  124  125  126  126  126 
LCS_GDT     R   105_B     R   105_B      5   10  126      3    4    7    8   11   15   24   31   71   94  113  120  122  123  123  124  125  126  126  126 
LCS_GDT     Y   106_B     Y   106_B      5   10  126      3    4    7    8   10   16   24   60   87  108  116  120  122  123  123  124  125  126  126  126 
LCS_GDT     W   107_B     W   107_B      5   10  126      3    4    7   23   36   52   77   99  110  116  118  120  122  123  123  124  125  126  126  126 
LCS_GDT     S   108_B     S   108_B      4   10  126      3    4    7    8    9   10   11   85  112  117  118  120  122  123  123  124  125  126  126  126 
LCS_GDT     G   109_B     G   109_B      4   18  126      6   75  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     E   110_B     E   110_B      9   18  126      3    7   15   30   48   81  109  117  118  119  119  119  120  120  121  122  125  126  126  126 
LCS_GDT     Y   111_B     Y   111_B      9   18  126      3    3    8   14   29   63  109  117  118  119  119  119  120  120  121  121  122  126  126  126 
LCS_GDT     F   112_B     F   112_B     15   18  126      3   28   55  112  114  115  116  117  118  119  119  119  120  120  122  124  125  126  126  126 
LCS_GDT     Y   113_B     Y   113_B     15   18  126      3  108  112  114  114  115  116  117  118  119  119  119  122  123  123  124  125  126  126  126 
LCS_GDT     R   114_B     R   114_B     15   18  126      3   73  112  114  114  115  116  117  118  119  119  119  122  123  123  124  125  126  126  126 
LCS_GDT     S   115_B     S   115_B     15   18  126     69  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     R   116_B     R   116_B     15   18  126     88  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     G   117_B     G   117_B     15   18  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     Q   118_B     Q   118_B     15   18  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     G   119_B     G   119_B     15   18  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     T   120_B     T   120_B     15   18  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     L   121_B     L   121_B     15   18  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     V   122_B     V   122_B     15   18  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     T   123_B     T   123_B     15   18  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     V   124_B     V   124_B     15   18  126     92  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     S   125_B     S   125_B     15   18  126     47  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_GDT     S   126_B     S   126_B     15   18  126     69  108  112  114  114  115  116  117  118  119  119  120  122  123  123  124  125  126  126  126 
LCS_AVERAGE  LCS_A:  78.81  (  66.02   70.42  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     92    108    112    114    114    115    116    117    118    119    119    120    122    123    123    124    125    126    126    126 
GDT PERCENT_AT  73.02  85.71  88.89  90.48  90.48  91.27  92.06  92.86  93.65  94.44  94.44  95.24  96.83  97.62  97.62  98.41  99.21 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.40   0.48   0.54   0.54   0.61   0.76   0.82   1.10   1.17   1.17   2.50   2.51   2.53   2.53   2.56   2.66   2.74   2.74   2.74
GDT RMS_ALL_AT   2.91   2.93   2.93   2.93   2.93   2.95   2.89   2.91   3.01   2.98   2.98   2.77   2.76   2.76   2.76   2.75   2.75   2.74   2.74   2.74

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  F    29_B      F    29_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  Y    57_B      Y    57_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  E    89_B      E    89_B
#   possible swapping detected:  Y    94_B      Y    94_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  Y   111_B      Y   111_B
#   possible swapping detected:  Y   113_B      Y   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     1_B      E     1_B     2.152     0    0.108   0.844     3.312   66.905   65.926
LGA    V     2_B      V     2_B     1.244     0    0.093   0.253     1.651   83.810   81.565
LGA    Q     3_B      Q     3_B     0.762     0    0.103   0.569     2.167   95.238   87.725
LGA    L     4_B      L     4_B     0.383     0    0.096   0.438     1.006   97.619   95.298
LGA    Q     5_B      Q     5_B     0.203     0    0.035   1.017     3.584  100.000   80.370
LGA    E     6_B      E     6_B     0.153     0    0.077   0.147     0.442  100.000  100.000
LGA    S     7_B      S     7_B     0.131     0    0.038   0.141     0.353  100.000  100.000
LGA    G     8_B      G     8_B     0.292     0    0.034   0.034     0.542   97.619   97.619
LGA    G     9_B      G     9_B     0.214     0    0.053   0.053     0.616   97.619   97.619
LGA    G    10_B      G    10_B     0.211     0    0.032   0.032     0.299  100.000  100.000
LGA    L    11_B      L    11_B     0.414     0    0.070   0.380     1.023  100.000   95.298
LGA    V    12_B      V    12_B     0.396     0    0.000   0.066     0.440  100.000  100.000
LGA    Q    13_B      Q    13_B     0.384     0    0.016   1.013     2.832  100.000   89.048
LGA    P    14_B      P    14_B     0.350     0    0.039   0.105     0.573   97.619   98.639
LGA    G    15_B      G    15_B     0.440     0    0.179   0.179     0.531   97.619   97.619
LGA    G    16_B      G    16_B     0.233     0    0.065   0.065     0.475  100.000  100.000
LGA    S    17_B      S    17_B     0.313     0    0.026   0.627     1.618  100.000   93.889
LGA    L    18_B      L    18_B     0.223     0    0.019   0.124     0.508  100.000   98.810
LGA    R    19_B      R    19_B     0.141     0    0.033   0.355     1.309  100.000   96.580
LGA    L    20_B      L    20_B     0.180     0    0.028   1.230     2.603  100.000   89.048
LGA    S    21_B      S    21_B     0.368     0    0.054   0.125     0.503  100.000   98.413
LGA    C    22_B      C    22_B     0.439     0    0.043   0.056     0.525   97.619   96.825
LGA    A    23_B      A    23_B     0.307     0    0.033   0.055     0.407  100.000  100.000
LGA    A    24_B      A    24_B     0.355     0    0.102   0.134     0.625   97.619   98.095
LGA    S    25_B      S    25_B     0.682     0    0.041   0.134     0.854   95.238   93.651
LGA    G    26_B      G    26_B     0.434     0    0.067   0.067     0.554   97.619   97.619
LGA    F    27_B      F    27_B     0.510     0    0.045   0.210     0.653   95.238   96.537
LGA    R    28_B      R    28_B     0.449     0    0.026   0.925     3.674   97.619   85.628
LGA    F    29_B      F    29_B     0.319     0    0.013   0.104     0.726  100.000   98.268
LGA    S    30_B      S    30_B     0.524     0    0.061   0.163     0.911   92.857   92.063
LGA    S    31_B      S    31_B     0.971     0    0.107   0.631     1.487   90.476   88.968
LGA    Y    32_B      Y    32_B     0.511     0    0.041   0.247     1.367   95.238   89.802
LGA    W    33_B      W    33_B     0.186     0    0.025   0.103     0.536  100.000   98.639
LGA    M    34_B      M    34_B     0.218     0    0.019   0.850     2.941  100.000   93.452
LGA    Y    35_B      Y    35_B     0.192     0    0.050   0.242     1.174  100.000   93.730
LGA    W    36_B      W    36_B     0.208     0    0.039   0.130     0.476  100.000  100.000
LGA    V    37_B      V    37_B     0.090     0    0.094   1.000     2.276  100.000   89.932
LGA    R    38_B      R    38_B     0.256     0    0.027   0.144     0.975  100.000   97.403
LGA    Q    39_B      Q    39_B     0.323     0    0.077   0.117     1.163  100.000   93.704
LGA    A    40_B      A    40_B     0.225     0    0.023   0.035     0.529  100.000   98.095
LGA    P    41_B      P    41_B     0.462     0    0.061   0.087     0.730   95.238   97.279
LGA    G    42_B      G    42_B     0.809     0    0.052   0.052     1.069   88.214   88.214
LGA    K    43_B      K    43_B     0.571     0    0.089   0.274     2.839   95.238   83.069
LGA    G    44_B      G    44_B     0.555     0    0.061   0.061     0.615   90.476   90.476
LGA    L    45_B      L    45_B     0.411     0    0.032   1.225     3.362  100.000   86.845
LGA    E    46_B      E    46_B     0.016     0    0.080   0.253     1.153   97.619   93.704
LGA    W    47_B      W    47_B     0.161     0    0.035   0.093     0.422  100.000  100.000
LGA    V    48_B      V    48_B     0.219     0    0.014   0.030     0.245  100.000  100.000
LGA    S    49_B      S    49_B     0.326     0    0.022   0.287     1.085  100.000   96.905
LGA    A    50_B      A    50_B     0.168     0    0.035   0.043     0.182  100.000  100.000
LGA    I    51_B      I    51_B     0.204     0    0.047   0.099     0.566  100.000   97.619
LGA    N    52_B      N    52_B     0.237     0    0.041   0.142     0.893  100.000   96.429
LGA    S    53_B      S    53_B     0.358     0    0.055   0.347     0.981   97.619   96.825
LGA    S    54_B      S    54_B     0.578     0    0.107   0.114     1.229   90.595   90.556
LGA    G    55_B      G    55_B     0.217     0    0.761   0.761     2.694   89.286   89.286
LGA    G    56_B      G    56_B     1.632     0    0.050   0.050     1.777   81.667   81.667
LGA    Y    57_B      Y    57_B     0.272     0    0.093   0.294     1.003   97.619   95.278
LGA    T    58_B      T    58_B     0.242     0    0.043   0.111     0.348  100.000  100.000
LGA    R    59_B      R    59_B     0.124     0    0.019   1.212     5.174  100.000   79.913
LGA    Y    60_B      Y    60_B     0.138     0    0.039   0.216     0.766  100.000   96.825
LGA    A    61_B      A    61_B     0.181     0    0.035   0.059     0.272  100.000  100.000
LGA    D    62_B      D    62_B     0.272     0    0.057   0.400     1.738   97.619   93.036
LGA    S    63_B      S    63_B     0.464     0    0.101   0.118     1.027   92.976   92.143
LGA    V    64_B      V    64_B     0.276     0    0.031   0.110     0.477  100.000  100.000
LGA    K    65_B      K    65_B     0.200     0    0.037   0.734     3.094  100.000   88.413
LGA    G    66_B      G    66_B     0.202     0    0.050   0.050     0.302  100.000  100.000
LGA    R    67_B      R    67_B     0.230     0    0.065   0.119     0.747  100.000   95.671
LGA    F    68_B      F    68_B     0.255     0    0.072   0.156     0.691   97.619   99.134
LGA    T    69_B      T    69_B     0.239     0    0.073   0.107     0.545   97.619   98.639
LGA    I    70_B      I    70_B     0.143     0    0.039   0.058     0.257  100.000  100.000
LGA    S    71_B      S    71_B     0.446     0    0.026   0.083     0.546  100.000   96.825
LGA    R    72_B      R    72_B     0.155     0    0.048   0.204     0.709  100.000   96.537
LGA    D    73_B      D    73_B     0.359     0    0.016   0.223     1.350   97.619   94.107
LGA    N    74_B      N    74_B     0.227     0    0.033   0.878     2.233  100.000   93.274
LGA    A    75_B      A    75_B     0.585     0    0.022   0.023     0.712   95.238   94.286
LGA    K    76_B      K    76_B     0.367     0    0.010   0.324     1.336  100.000   96.878
LGA    N    77_B      N    77_B     0.318     0    0.022   0.335     1.135   97.619   95.298
LGA    T    78_B      T    78_B     0.350     0    0.051   0.130     0.705  100.000   98.639
LGA    L    79_B      L    79_B     0.120     0    0.032   0.095     0.232  100.000  100.000
LGA    Y    80_B      Y    80_B     0.246     0    0.091   0.224     1.084   97.619   95.278
LGA    L    81_B      L    81_B     0.205     0    0.021   0.261     0.734  100.000   97.619
LGA    Q    82_B      Q    82_B     0.114     0    0.053   0.129     0.473  100.000  100.000
LGA    M    83_B      M    83_B     0.361     0    0.033   0.745     2.253  100.000   93.214
LGA    N    84_B      N    84_B     0.309     0    0.098   0.386     1.288   97.619   95.298
LGA    S    85_B      S    85_B     0.781     0    0.049   0.103     0.968   90.476   90.476
LGA    L    86_B      L    86_B     0.412     0    0.069   0.105     0.818   97.619   98.810
LGA    R    87_B      R    87_B     0.327     0    0.019   0.176     1.602  100.000   90.693
LGA    A    88_B      A    88_B     0.273     0    0.051   0.050     0.359  100.000  100.000
LGA    E    89_B      E    89_B     0.294     0    0.014   0.413     1.651  100.000   93.862
LGA    D    90_B      D    90_B     0.176     0    0.028   0.101     0.287  100.000  100.000
LGA    T    91_B      T    91_B     0.085     0    0.083   0.074     0.200  100.000  100.000
LGA    A    92_B      A    92_B     0.132     0    0.070   0.103     0.326  100.000  100.000
LGA    V    93_B      V    93_B     0.172     0    0.032   0.269     0.920  100.000   98.639
LGA    Y    94_B      Y    94_B     0.104     0    0.091   0.117     0.480  100.000  100.000
LGA    Y    95_B      Y    95_B     0.230     0    0.081   0.141     0.974  100.000   96.032
LGA    C    96_B      C    96_B     0.280     0    0.052   0.197     0.573  100.000   98.413
LGA    A    97_B      A    97_B     0.315     0    0.021   0.035     0.368  100.000  100.000
LGA    T    98_B      T    98_B     0.586     0    0.055   0.075     1.132   88.333   91.973
LGA    D    99_B      D    99_B     1.941     0    0.526   0.553     3.308   75.000   65.238
LGA    S   100_B      S   100_B     4.045     0    0.097   0.634     8.508   36.429   26.984
LGA    G   101_B      G   101_B     4.156     0    0.640   0.640     7.833   27.857   27.857
LGA    D   102_B      D   102_B     7.987     0    0.092   0.631    12.330    6.071    3.869
LGA    G   103_B      G   103_B    13.293     0    0.694   0.694    13.591    0.000    0.000
LGA    K   104_B      K   104_B    13.573     0    0.273   0.762    14.451    0.000    0.000
LGA    R   105_B      R   105_B    13.107     0    0.462   0.919    15.189    0.000    0.000
LGA    Y   106_B      Y   106_B    12.111     0    0.109   0.262    21.440    1.190    0.397
LGA    W   107_B      W   107_B     9.884     0    0.344   1.315    12.434    0.476    0.680
LGA    S   108_B      S   108_B     7.703     0    0.600   0.518     9.241   13.214    9.841
LGA    G   109_B      G   109_B     1.639     0    0.202   0.202     4.292   50.833   50.833
LGA    E   110_B      E   110_B     6.650     0    0.602   1.069    12.762   21.190    9.577
LGA    Y   111_B      Y   111_B     6.696     0    0.117   1.206    17.445   22.024    7.460
LGA    F   112_B      F   112_B     3.260     0    0.291   0.291     5.191   50.119   41.558
LGA    Y   113_B      Y   113_B     1.321     0    0.202   1.389     7.215   71.071   57.976
LGA    R   114_B      R   114_B     1.525     0    0.043   1.085     7.289   75.119   50.476
LGA    S   115_B      S   115_B     0.748     0    0.022   0.702     2.925   95.238   88.095
LGA    R   116_B      R   116_B     0.565     0    0.105   0.840     2.674   97.619   87.662
LGA    G   117_B      G   117_B     0.141     0    0.039   0.039     0.272  100.000  100.000
LGA    Q   118_B      Q   118_B     0.108     0    0.052   1.370     6.181  100.000   69.683
LGA    G   119_B      G   119_B     0.295     0    0.028   0.028     0.295  100.000  100.000
LGA    T   120_B      T   120_B     0.047     0    0.029   0.084     0.385  100.000  100.000
LGA    L   121_B      L   121_B     0.176     0    0.019   0.243     0.632  100.000   97.619
LGA    V   122_B      V   122_B     0.255     0    0.006   0.082     0.421  100.000  100.000
LGA    T   123_B      T   123_B     0.162     0    0.101   0.471     1.175  100.000   95.986
LGA    V   124_B      V   124_B     0.037     0    0.040   0.067     0.504  100.000   98.639
LGA    S   125_B      S   125_B     0.912     0    0.101   0.540     1.488   90.476   87.460
LGA    S   126_B      S   126_B     0.801     0    0.250   0.867     4.561   67.381   64.048

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00     983    983  100.00               126
SUMMARY(RMSD_GDC):     2.743          2.726                  3.582           88.622   85.253

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  126    4.0    117    0.82    91.865    86.802    12.737

LGA_LOCAL      RMSD:   0.819  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.911  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.743  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.442203 * X  +   0.707485 * Y  +   0.551291 * Z  + -30.580250
  Y_new =   0.683064 * X  +  -0.663988 * Y  +   0.304210 * Z  + -14.821945
  Z_new =   0.581274 * X  +   0.242044 * Y  +  -0.776875 * Z  + -67.924736 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.996264 -0.620294  2.839563   [DEG:   57.0817  -35.5402  162.6950 ]
ZXZ:  2.075031  2.460484  1.176230   [DEG:  118.8905  140.9753   67.3930 ]
 
# END of job
