
#######################################################
#                                                     #
#                        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       2.57     2.57
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104       1_B - 104_B       1.81     2.58
  LONGEST_CONTINUOUS_SEGMENT:   104       2_B - 105_B       1.97     2.59
  LCS_AVERAGE:     71.01

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   102       1_B - 102_B       0.98     2.63
  LCS_AVERAGE:     67.23

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    102  104  126     12   60  111  113  113  115  116  117  118  119  119  119  122  123  124  124  126  126  126  126 
LCS_GDT     V     2_B     V     2_B    102  104  126     26  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     Q     3_B     Q     3_B    102  104  126     56  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     L     4_B     L     4_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     Q     5_B     Q     5_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     E     6_B     E     6_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     S     7_B     S     7_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     G     8_B     G     8_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     G     9_B     G     9_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     G    10_B     G    10_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     L    11_B     L    11_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     V    12_B     V    12_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     Q    13_B     Q    13_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     P    14_B     P    14_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     G    15_B     G    15_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     G    16_B     G    16_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     S    17_B     S    17_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     L    18_B     L    18_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     R    19_B     R    19_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     L    20_B     L    20_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     S    21_B     S    21_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     C    22_B     C    22_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     A    23_B     A    23_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     A    24_B     A    24_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     S    25_B     S    25_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     G    26_B     G    26_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     F    27_B     F    27_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     R    28_B     R    28_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     F    29_B     F    29_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     S    30_B     S    30_B    102  104  126     92  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     S    31_B     S    31_B    102  104  126     48  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     Y    32_B     Y    32_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     W    33_B     W    33_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     M    34_B     M    34_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     Y    35_B     Y    35_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     W    36_B     W    36_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     V    37_B     V    37_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     R    38_B     R    38_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     Q    39_B     Q    39_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     A    40_B     A    40_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     P    41_B     P    41_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     G    42_B     G    42_B    102  104  126     90  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     K    43_B     K    43_B    102  104  126     92  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     G    44_B     G    44_B    102  104  126     90  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     L    45_B     L    45_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     E    46_B     E    46_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     W    47_B     W    47_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     V    48_B     V    48_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     S    49_B     S    49_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     A    50_B     A    50_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     I    51_B     I    51_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     N    52_B     N    52_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     S    53_B     S    53_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     S    54_B     S    54_B    102  104  126     92  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     G    55_B     G    55_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     G    56_B     G    56_B    102  104  126      7   99  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     Y    57_B     Y    57_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     T    58_B     T    58_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     R    59_B     R    59_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     Y    60_B     Y    60_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     A    61_B     A    61_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     D    62_B     D    62_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     S    63_B     S    63_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     V    64_B     V    64_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     K    65_B     K    65_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     G    66_B     G    66_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     R    67_B     R    67_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     F    68_B     F    68_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     T    69_B     T    69_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     I    70_B     I    70_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     S    71_B     S    71_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     R    72_B     R    72_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     D    73_B     D    73_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     N    74_B     N    74_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     A    75_B     A    75_B    102  104  126     67  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     K    76_B     K    76_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     N    77_B     N    77_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     T    78_B     T    78_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     L    79_B     L    79_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     Y    80_B     Y    80_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     L    81_B     L    81_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     Q    82_B     Q    82_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     M    83_B     M    83_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     N    84_B     N    84_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     S    85_B     S    85_B    102  104  126     74  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     L    86_B     L    86_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     R    87_B     R    87_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     A    88_B     A    88_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     E    89_B     E    89_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     D    90_B     D    90_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     T    91_B     T    91_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     A    92_B     A    92_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     V    93_B     V    93_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     Y    94_B     Y    94_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     Y    95_B     Y    95_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     C    96_B     C    96_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     A    97_B     A    97_B    102  104  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     T    98_B     T    98_B    102  104  126     92  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     D    99_B     D    99_B    102  104  126     20   99  109  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     S   100_B     S   100_B    102  104  126      7   15   23   52  111  114  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     G   101_B     G   101_B    102  104  126      3   33   85  107  112  114  116  117  117  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     D   102_B     D   102_B    102  104  126      3    5   25   47   96  107  112  116  117  117  118  121  122  123  124  124  126  126  126  126 
LCS_GDT     G   103_B     G   103_B      5  104  126      3    4    5    7    9   12   16   27   39   87  117  121  122  123  124  124  126  126  126  126 
LCS_GDT     K   104_B     K   104_B      5  104  126      3    4    8    9   15   24   35   64  107  115  117  121  122  123  124  124  126  126  126  126 
LCS_GDT     R   105_B     R   105_B      5  104  126      3    4    8   10   19   34   75  101  110  115  117  121  122  123  124  124  126  126  126  126 
LCS_GDT     Y   106_B     Y   106_B      5   10  126      3    4    5    7   14   20   28   76  106  115  117  121  122  123  124  124  126  126  126  126 
LCS_GDT     W   107_B     W   107_B      5   10  126      3    4    5    7   37   59   92  106  113  116  117  121  122  123  124  124  126  126  126  126 
LCS_GDT     S   108_B     S   108_B      5   10  126      3    4    5    6    9   10   11   13   20   43  117  121  122  123  124  124  126  126  126  126 
LCS_GDT     G   109_B     G   109_B      4   18  126      3    6   28   98  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     E   110_B     E   110_B      4   18  126      3    6    9   19   33   54   80   96  118  119  119  119  120  121  121  123  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B      7   18  126      3    4    7   10   41   87  104  116  118  119  119  119  120  121  121  123  126  126  126  126 
LCS_GDT     F   112_B     F   112_B     15   18  126      3    6   38   89  113  115  116  117  118  119  119  119  120  121  124  124  126  126  126  126 
LCS_GDT     Y   113_B     Y   113_B     15   18  126     35  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     15   18  126     23  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     S   115_B     S   115_B     15   18  126     90  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     R   116_B     R   116_B     15   18  126     84  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     G   117_B     G   117_B     15   18  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     Q   118_B     Q   118_B     15   18  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     G   119_B     G   119_B     15   18  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     T   120_B     T   120_B     15   18  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     L   121_B     L   121_B     15   18  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     V   122_B     V   122_B     15   18  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     T   123_B     T   123_B     15   18  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     V   124_B     V   124_B     15   18  126     93  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     S   125_B     S   125_B     15   18  126     74  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_GDT     S   126_B     S   126_B     15   18  126     47  107  111  113  113  115  116  117  118  119  119  121  122  123  124  124  126  126  126  126 
LCS_AVERAGE  LCS_A:  79.42  (  67.23   71.01  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     93    107    111    113    113    115    116    117    118    119    119    121    122    123    124    124    126    126    126    126 
GDT PERCENT_AT  73.81  84.92  88.10  89.68  89.68  91.27  92.06  92.86  93.65  94.44  94.44  96.03  96.83  97.62  98.41  98.41 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.37   0.45   0.51   0.51   0.69   0.79   0.86   1.20   1.26   1.26   2.10   2.12   2.31   2.35   2.35   2.57   2.57   2.57   2.57
GDT RMS_ALL_AT   2.70   2.70   2.72   2.73   2.73   2.75   2.70   2.71   2.81   2.78   2.78   2.58   2.58   2.59   2.58   2.58   2.57   2.57   2.57   2.57

# Checking swapping
#   possible swapping detected:  E     1_B      E     1_B
#   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     2.131     0    0.117   0.678     3.548   66.905   65.185
LGA    V     2_B      V     2_B     1.291     0    0.090   0.258     1.635   83.810   81.565
LGA    Q     3_B      Q     3_B     0.853     0    0.100   0.527     2.081   92.976   86.720
LGA    L     4_B      L     4_B     0.337     0    0.104   0.423     0.897   95.238   95.238
LGA    Q     5_B      Q     5_B     0.287     0    0.030   0.942     3.071  100.000   81.058
LGA    E     6_B      E     6_B     0.168     0    0.086   0.166     0.450  100.000  100.000
LGA    S     7_B      S     7_B     0.225     0    0.046   0.158     0.378  100.000  100.000
LGA    G     8_B      G     8_B     0.316     0    0.030   0.030     0.525   97.619   97.619
LGA    G     9_B      G     9_B     0.216     0    0.058   0.058     0.600   97.619   97.619
LGA    G    10_B      G    10_B     0.138     0    0.035   0.035     0.248  100.000  100.000
LGA    L    11_B      L    11_B     0.383     0    0.070   0.415     1.000  100.000   95.298
LGA    V    12_B      V    12_B     0.373     0    0.002   0.084     0.398  100.000  100.000
LGA    Q    13_B      Q    13_B     0.369     0    0.019   0.998     2.909  100.000   88.042
LGA    P    14_B      P    14_B     0.306     0    0.035   0.103     0.529   97.619   98.639
LGA    G    15_B      G    15_B     0.420     0    0.175   0.175     0.503   97.619   97.619
LGA    G    16_B      G    16_B     0.249     0    0.069   0.069     0.470  100.000  100.000
LGA    S    17_B      S    17_B     0.338     0    0.039   0.109     0.728   97.619   96.825
LGA    L    18_B      L    18_B     0.242     0    0.017   0.123     0.490  100.000  100.000
LGA    R    19_B      R    19_B     0.170     0    0.038   0.372     1.458  100.000   96.580
LGA    L    20_B      L    20_B     0.170     0    0.028   1.225     2.630  100.000   89.048
LGA    S    21_B      S    21_B     0.363     0    0.052   0.119     0.407  100.000  100.000
LGA    C    22_B      C    22_B     0.421     0    0.054   0.070     0.542   97.619   96.825
LGA    A    23_B      A    23_B     0.292     0    0.033   0.056     0.444  100.000  100.000
LGA    A    24_B      A    24_B     0.327     0    0.100   0.131     0.596   97.619   98.095
LGA    S    25_B      S    25_B     0.663     0    0.042   0.139     0.810   95.238   93.651
LGA    G    26_B      G    26_B     0.406     0    0.066   0.066     0.529   97.619   97.619
LGA    F    27_B      F    27_B     0.544     0    0.050   0.222     0.674   92.857   94.805
LGA    R    28_B      R    28_B     0.450     0    0.021   0.923     3.477   97.619   87.013
LGA    F    29_B      F    29_B     0.320     0    0.009   0.128     0.714  100.000   98.268
LGA    S    30_B      S    30_B     0.483     0    0.044   0.043     0.818   95.238   95.238
LGA    S    31_B      S    31_B     0.810     0    0.116   0.629     1.333   95.238   92.143
LGA    Y    32_B      Y    32_B     0.363     0    0.038   0.230     1.131   97.619   92.103
LGA    W    33_B      W    33_B     0.207     0    0.017   0.066     0.374  100.000  100.000
LGA    M    34_B      M    34_B     0.292     0    0.022   0.832     2.718  100.000   93.452
LGA    Y    35_B      Y    35_B     0.177     0    0.053   0.204     1.219  100.000   94.524
LGA    W    36_B      W    36_B     0.209     0    0.033   0.124     0.506  100.000   99.320
LGA    V    37_B      V    37_B     0.200     0    0.052   0.105     0.293  100.000  100.000
LGA    R    38_B      R    38_B     0.238     0    0.020   0.109     0.704  100.000   97.403
LGA    Q    39_B      Q    39_B     0.273     0    0.070   0.148     1.006  100.000   95.820
LGA    A    40_B      A    40_B     0.207     0    0.025   0.036     0.473  100.000  100.000
LGA    P    41_B      P    41_B     0.490     0    0.064   0.090     0.718   95.238   97.279
LGA    G    42_B      G    42_B     0.791     0    0.044   0.044     1.003   88.214   88.214
LGA    K    43_B      K    43_B     0.584     0    0.085   0.262     2.742   95.238   83.069
LGA    G    44_B      G    44_B     0.592     0    0.040   0.040     0.592   90.476   90.476
LGA    L    45_B      L    45_B     0.361     0    0.061   1.269     3.148  100.000   86.845
LGA    E    46_B      E    46_B     0.078     0    0.050   0.308     1.193   97.619   92.698
LGA    W    47_B      W    47_B     0.214     0    0.034   0.085     0.404  100.000  100.000
LGA    V    48_B      V    48_B     0.299     0    0.015   0.032     0.314  100.000  100.000
LGA    S    49_B      S    49_B     0.363     0    0.020   0.295     0.995  100.000   98.413
LGA    A    50_B      A    50_B     0.222     0    0.037   0.044     0.285  100.000  100.000
LGA    I    51_B      I    51_B     0.263     0    0.043   0.104     0.645  100.000   97.619
LGA    N    52_B      N    52_B     0.091     0    0.042   0.131     0.551  100.000   97.619
LGA    S    53_B      S    53_B     0.416     0    0.055   0.335     1.063   97.619   95.317
LGA    S    54_B      S    54_B     0.607     0    0.106   0.111     1.208   90.595   90.556
LGA    G    55_B      G    55_B     0.204     0    0.762   0.762     2.764   89.286   89.286
LGA    G    56_B      G    56_B     1.554     0    0.072   0.072     1.705   84.048   84.048
LGA    Y    57_B      Y    57_B     0.309     0    0.111   0.292     0.958   97.619   95.238
LGA    T    58_B      T    58_B     0.294     0    0.031   0.128     0.349  100.000  100.000
LGA    R    59_B      R    59_B     0.097     0    0.025   1.186     5.461  100.000   81.645
LGA    Y    60_B      Y    60_B     0.193     0    0.039   0.230     0.776  100.000   96.825
LGA    A    61_B      A    61_B     0.265     0    0.036   0.060     0.318  100.000  100.000
LGA    D    62_B      D    62_B     0.356     0    0.064   0.416     1.906   97.619   93.036
LGA    S    63_B      S    63_B     0.390     0    0.091   0.112     0.941   97.619   96.825
LGA    V    64_B      V    64_B     0.293     0    0.029   0.098     0.399  100.000  100.000
LGA    K    65_B      K    65_B     0.282     0    0.040   0.718     3.165  100.000   88.413
LGA    G    66_B      G    66_B     0.239     0    0.043   0.043     0.325  100.000  100.000
LGA    R    67_B      R    67_B     0.343     0    0.068   0.108     0.818  100.000   94.805
LGA    F    68_B      F    68_B     0.253     0    0.050   0.145     0.635   97.619   99.134
LGA    T    69_B      T    69_B     0.204     0    0.052   0.090     0.365  100.000  100.000
LGA    I    70_B      I    70_B     0.226     0    0.041   0.057     0.337  100.000  100.000
LGA    S    71_B      S    71_B     0.490     0    0.024   0.082     0.579  100.000   96.825
LGA    R    72_B      R    72_B     0.216     0    0.050   0.215     0.856  100.000   96.537
LGA    D    73_B      D    73_B     0.402     0    0.017   0.221     1.423   97.619   94.107
LGA    N    74_B      N    74_B     0.216     0    0.035   0.879     2.139  100.000   93.274
LGA    A    75_B      A    75_B     0.637     0    0.023   0.024     0.752   92.857   92.381
LGA    K    76_B      K    76_B     0.468     0    0.012   0.381     1.593  100.000   94.868
LGA    N    77_B      N    77_B     0.344     0    0.017   0.355     1.170   97.619   95.298
LGA    T    78_B      T    78_B     0.379     0    0.054   0.098     0.766  100.000   98.639
LGA    L    79_B      L    79_B     0.122     0    0.033   0.103     0.261  100.000  100.000
LGA    Y    80_B      Y    80_B     0.208     0    0.096   0.248     1.182   97.619   95.278
LGA    L    81_B      L    81_B     0.165     0    0.020   0.256     0.674  100.000   97.619
LGA    Q    82_B      Q    82_B     0.129     0    0.051   0.129     0.397  100.000  100.000
LGA    M    83_B      M    83_B     0.356     0    0.031   0.738     2.172  100.000   93.214
LGA    N    84_B      N    84_B     0.281     0    0.100   0.373     1.031   97.619   95.298
LGA    S    85_B      S    85_B     0.857     0    0.045   0.118     1.093   90.476   88.968
LGA    L    86_B      L    86_B     0.395     0    0.071   0.092     0.810   97.619   98.810
LGA    R    87_B      R    87_B     0.236     0    0.017   0.163     1.234  100.000   94.848
LGA    A    88_B      A    88_B     0.246     0    0.048   0.047     0.349  100.000  100.000
LGA    E    89_B      E    89_B     0.329     0    0.011   0.413     1.598  100.000   93.862
LGA    D    90_B      D    90_B     0.147     0    0.040   0.087     0.259  100.000  100.000
LGA    T    91_B      T    91_B     0.029     0    0.080   0.074     0.238  100.000  100.000
LGA    A    92_B      A    92_B     0.176     0    0.067   0.098     0.357  100.000  100.000
LGA    V    93_B      V    93_B     0.112     0    0.027   0.244     0.721  100.000   98.639
LGA    Y    94_B      Y    94_B     0.046     0    0.090   0.115     0.396  100.000  100.000
LGA    Y    95_B      Y    95_B     0.298     0    0.071   0.098     0.654  100.000   97.619
LGA    C    96_B      C    96_B     0.286     0    0.055   0.201     0.451  100.000  100.000
LGA    A    97_B      A    97_B     0.390     0    0.015   0.028     0.434  100.000  100.000
LGA    T    98_B      T    98_B     0.642     0    0.046   0.121     1.115   88.214   89.184
LGA    D    99_B      D    99_B     1.819     0    0.522   0.623     3.424   79.286   67.381
LGA    S   100_B      S   100_B     4.038     0    0.085   0.661     8.553   37.976   28.016
LGA    G   101_B      G   101_B     3.905     0    0.640   0.640     7.585   32.262   32.262
LGA    D   102_B      D   102_B     7.099     0    0.099   1.056    11.148    7.976    7.798
LGA    G   103_B      G   103_B    12.436     0    0.706   0.706    12.436    0.119    0.119
LGA    K   104_B      K   104_B    11.970     0    0.277   0.807    13.321    0.000    0.000
LGA    R   105_B      R   105_B    10.723     0    0.280   0.895    13.265    0.000    0.996
LGA    Y   106_B      Y   106_B    10.915     0    0.069   0.306    19.346    2.143    0.714
LGA    W   107_B      W   107_B     9.167     0    0.368   1.093    11.469    0.714    1.224
LGA    S   108_B      S   108_B     8.307     0    0.480   0.412    10.505    9.048    6.032
LGA    G   109_B      G   109_B     3.298     0    0.076   0.076     5.769   35.000   35.000
LGA    E   110_B      E   110_B     7.776     0    0.573   1.160    14.757   12.976    5.767
LGA    Y   111_B      Y   111_B     6.712     0    0.148   1.254    13.534   15.476    5.714
LGA    F   112_B      F   112_B     3.769     0    0.456   0.340     5.717   45.238   36.190
LGA    Y   113_B      Y   113_B     1.430     0    0.218   1.385     7.103   71.071   57.976
LGA    R   114_B      R   114_B     1.224     0    0.037   1.211     7.596   81.548   53.074
LGA    S   115_B      S   115_B     0.676     0    0.059   0.714     2.723   95.238   88.095
LGA    R   116_B      R   116_B     0.613     0    0.108   0.662     1.472   97.619   91.515
LGA    G   117_B      G   117_B     0.135     0    0.039   0.039     0.253  100.000  100.000
LGA    Q   118_B      Q   118_B     0.113     0    0.049   0.924     4.748  100.000   75.714
LGA    G   119_B      G   119_B     0.285     0    0.022   0.022     0.285  100.000  100.000
LGA    T   120_B      T   120_B     0.041     0    0.025   0.082     0.409  100.000  100.000
LGA    L   121_B      L   121_B     0.154     0    0.013   0.241     0.668  100.000   98.810
LGA    V   122_B      V   122_B     0.204     0    0.008   0.088     0.313  100.000  100.000
LGA    T   123_B      T   123_B     0.113     0    0.085   0.469     1.239  100.000   95.986
LGA    V   124_B      V   124_B     0.099     0    0.055   0.064     0.518  100.000   98.639
LGA    S   125_B      S   125_B     0.810     0    0.057   0.087     1.073   90.476   87.460
LGA    S   126_B      S   126_B     0.951     0    0.284   0.890     4.994   65.595   65.397

# 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):     2.574          2.584                  3.305           88.507   85.523

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  126    4.0    117    0.86    91.468    86.776    12.136

LGA_LOCAL      RMSD:   0.864  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.714  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.574  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.748906 * X  +   0.461691 * Y  +  -0.475375 * Z  + -30.536606
  Y_new =   0.569497 * X  +   0.815202 * Y  +  -0.105450 * Z  + -13.052040
  Z_new =   0.338841 * X  +  -0.349696 * Y  +  -0.873441 * Z  + -67.977814 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.491445 -0.345685 -2.760771   [DEG:  142.7493  -19.8063 -158.1805 ]
ZXZ: -1.352506  2.633021  2.371958   [DEG:  -77.4929  150.8610  135.9032 ]
 
# END of job
