
#######################################################
#                                                     #
#                        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  128 (  979),  selected  128 , name one
# Molecule2: number of CA atoms  128 (  979),  selected  128 , 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:   128       1_B - 128_B       1.56     1.56
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       1.56     1.56
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    72      30_B - 101_B       0.91     1.59
  LONGEST_CONTINUOUS_SEGMENT:    72      31_B - 102_B       0.97     1.61
  LCS_AVERAGE:     39.20

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  128
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     26  128  128      4   73  107  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V     2_B     V     2_B     26  128  128     57   96  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q     3_B     Q     3_B     26  128  128     71   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L     4_B     L     4_B     26  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V     5_B     V     5_B     26  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E     6_B     E     6_B     26  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S     7_B     S     7_B     26  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G     8_B     G     8_B     26  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G     9_B     G     9_B     26  128  128     67   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    10_B     G    10_B     26  128  128     30   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    11_B     S    11_B     26  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    12_B     V    12_B     26  128  128     30   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    13_B     Q    13_B     26  128  128     30   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    14_B     A    14_B     26  128  128      4   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    15_B     G    15_B     26  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    16_B     G    16_B     26  128  128     57   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    17_B     S    17_B     26  128  128     66   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    18_B     L    18_B     26  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    19_B     R    19_B     26  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    20_B     L    20_B     26  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    21_B     S    21_B     26  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    22_B     C    22_B     26  128  128     71   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    23_B     A    23_B     26  128  128     61   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    24_B     A    24_B     26  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    25_B     S    25_B     26  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    26_B     G    26_B     26  128  128      3   29   74  109  116  119  121  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    27_B     Y    27_B      4  128  128      3    4    8   12   24   67  118  123  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    28_B     T    28_B      3  128  128      3    3   34   78  112  118  121  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    29_B     Y    29_B      3  128  128      3    3    4    4    5    8   31   80  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    30_B     S    30_B     72  128  128      3   14   72  107  116  119  121  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    31_B     M    31_B     72  128  128      1    3   22  109  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    32_B     Y    32_B     72  128  128      4   16   58  108  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    33_B     C    33_B     72  128  128     61   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    34_B     M    34_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    35_B     G    35_B     72  128  128     52   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     W    36_B     W    36_B     72  128  128     71   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     F    37_B     F    37_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    38_B     R    38_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    39_B     Q    39_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    40_B     A    40_B     72  128  128     70   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     P    41_B     P    41_B     72  128  128     70   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    42_B     G    42_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    43_B     K    43_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    44_B     E    44_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    45_B     R    45_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    46_B     E    46_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    47_B     G    47_B     72  128  128     46   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    48_B     V    48_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    49_B     A    49_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    50_B     G    50_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    51_B     I    51_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    52_B     C    52_B     72  128  128     65   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    53_B     A    53_B     72  128  128      3   13   43  102  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    54_B     N    54_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    55_B     G    55_B     72  128  128     32   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    56_B     K    56_B     72  128  128      5   56  104  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    57_B     A    57_B     72  128  128      5   84  108  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    58_B     I    58_B     72  128  128     59   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     H    59_B     H    59_B     72  128  128     70   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    60_B     Y    60_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    61_B     V    61_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    62_B     D    62_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    63_B     S    63_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    64_B     V    64_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    65_B     K    65_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    66_B     G    66_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    67_B     R    67_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     F    68_B     F    68_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    69_B     T    69_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    70_B     I    70_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    71_B     S    71_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    72_B     Q    72_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    73_B     D    73_B     72  128  128     70   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    74_B     N    74_B     72  128  128     47   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    75_B     A    75_B     72  128  128     55   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    76_B     K    76_B     72  128  128     71   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    77_B     N    77_B     72  128  128     31   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    78_B     T    78_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    79_B     V    79_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    80_B     Y    80_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    81_B     L    81_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    82_B     Q    82_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    83_B     M    83_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    84_B     N    84_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    85_B     S    85_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    86_B     L    86_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    87_B     K    87_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     P    88_B     P    88_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    89_B     E    89_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    90_B     D    90_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    91_B     T    91_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    92_B     A    92_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    93_B     M    93_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    94_B     Y    94_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    95_B     Y    95_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    96_B     C    96_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    97_B     A    97_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    98_B     A    98_B     72  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    99_B     D    99_B     72  128  128     18   97  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   100_B     S   100_B     72  128  128      3   96  108  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R   101_B     R   101_B     72  128  128     23   87  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   102_B     G   102_B     72  128  128      3    5   19   61  107  116  122  123  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   103_B     G   103_B      6  128  128      4    7   19   54   82  107  117  123  124  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I   104_B     I   104_B      6  128  128      4    6   31   44  108  116  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     W   105_B     W   105_B      9  128  128      4    8   27   96  114  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   106_B     Y   106_B      9  128  128      4    5   10   83  113  119  122  124  125  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E   107_B     E   107_B      9  128  128      3    7   16   34  113  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   108_B     Q   108_B     21  128  128      4   44   99  110  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   109_B     Q   109_B     21  128  128      4   56  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L   110_B     L   110_B     21  128  128     31   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   111_B     S   111_B     21  128  128     30   96  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   112_B     T   112_B     21  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L   113_B     L   113_B     21  128  128      8   88  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R   114_B     R   114_B     21  128  128     19   93  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   115_B     Y   115_B     21  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N   116_B     N   116_B     21  128  128     71   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   117_B     Y   117_B     21  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     W   118_B     W   118_B     21  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   119_B     G   119_B     21  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   120_B     Q   120_B     21  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   121_B     G   121_B     21  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   122_B     T   122_B     21  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   123_B     Q   123_B     21  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V   124_B     V   124_B     21  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   125_B     T   125_B     21  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V   126_B     V   126_B     21  128  128     73   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   127_B     S   127_B     21  128  128     30   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   128_B     S   128_B     21  128  128     30   98  109  112  116  119  122  124  126  128  128  128  128  128  128  128  128  128  128  128 
LCS_AVERAGE  LCS_A:  79.73  (  39.20  100.00  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     73     98    109    112    116    119    122    124    126    128    128    128    128    128    128    128    128    128    128    128 
GDT PERCENT_AT  57.03  76.56  85.16  87.50  90.62  92.97  95.31  96.88  98.44 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.48   0.62   0.68   0.83   0.96   1.17   1.23   1.45   1.56   1.56   1.56   1.56   1.56   1.56   1.56   1.56   1.56   1.56   1.56
GDT RMS_ALL_AT   1.58   1.60   1.58   1.58   1.58   1.57   1.59   1.57   1.56   1.56   1.56   1.56   1.56   1.56   1.56   1.56   1.56   1.56   1.56   1.56

# Checking swapping
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  D    99_B      D    99_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     2.486     0    0.218   0.963     5.462   65.119   46.455
LGA    V     2_B      V     2_B     1.088     0    0.029   1.027     3.383   77.143   73.265
LGA    Q     3_B      Q     3_B     0.735     0    0.053   1.089     5.548   95.238   70.476
LGA    L     4_B      L     4_B     0.250     0    0.055   0.071     0.314  100.000  100.000
LGA    V     5_B      V     5_B     0.408     0    0.072   0.126     0.690   97.619   97.279
LGA    E     6_B      E     6_B     0.223     0    0.045   0.059     0.553  100.000   98.942
LGA    S     7_B      S     7_B     0.180     0    0.025   0.077     0.277  100.000  100.000
LGA    G     8_B      G     8_B     0.338     0    0.014   0.014     0.494  100.000  100.000
LGA    G     9_B      G     9_B     0.546     0    0.042   0.042     0.608   95.238   95.238
LGA    G    10_B      G    10_B     1.115     0    0.044   0.044     1.115   90.595   90.595
LGA    S    11_B      S    11_B     0.478     0    0.170   0.229     1.915   88.452   87.619
LGA    V    12_B      V    12_B     0.788     0    0.146   1.034     2.212   88.214   81.837
LGA    Q    13_B      Q    13_B     1.109     0    0.071   1.104     4.538   85.952   67.354
LGA    A    14_B      A    14_B     0.879     0    0.039   0.049     1.148   95.238   92.476
LGA    G    15_B      G    15_B     0.308     0    0.101   0.101     0.810   97.619   97.619
LGA    G    16_B      G    16_B     0.896     0    0.024   0.024     0.896   92.857   92.857
LGA    S    17_B      S    17_B     0.723     0    0.043   0.092     0.799   90.476   90.476
LGA    L    18_B      L    18_B     0.504     0    0.028   1.329     2.635   95.238   83.393
LGA    R    19_B      R    19_B     0.289     0    0.058   1.488     6.486   97.619   75.584
LGA    L    20_B      L    20_B     0.202     0    0.026   0.064     0.314  100.000  100.000
LGA    S    21_B      S    21_B     0.516     0    0.085   0.661     2.007   92.857   87.778
LGA    C    22_B      C    22_B     0.656     0    0.061   0.088     1.197   92.857   90.556
LGA    A    23_B      A    23_B     0.858     0    0.118   0.151     0.949   90.476   90.476
LGA    A    24_B      A    24_B     0.324     0    0.029   0.027     0.589  100.000   98.095
LGA    S    25_B      S    25_B     0.309     0    0.014   0.090     3.239   80.714   72.937
LGA    G    26_B      G    26_B     3.520     0    0.695   0.695     6.946   40.238   40.238
LGA    Y    27_B      Y    27_B     6.004     0    0.305   1.096    11.976   23.452    9.960
LGA    T    28_B      T    28_B     3.916     0    0.265   0.236     5.687   39.167   35.238
LGA    Y    29_B      Y    29_B     6.000     0    0.644   1.419    12.092   27.857    9.881
LGA    S    30_B      S    30_B     3.225     0    0.626   0.830     4.332   50.476   56.746
LGA    M    31_B      M    31_B     2.309     0    0.647   1.018     8.387   65.595   41.607
LGA    Y    32_B      Y    32_B     2.836     0    0.573   1.424    14.802   62.976   24.524
LGA    C    33_B      C    33_B     0.563     0    0.040   0.233     2.417   90.595   84.762
LGA    M    34_B      M    34_B     0.579     0    0.040   1.075     4.505   92.857   81.071
LGA    G    35_B      G    35_B     1.090     0    0.060   0.060     1.090   88.214   88.214
LGA    W    36_B      W    36_B     0.666     0    0.036   0.089     0.943   90.476   90.476
LGA    F    37_B      F    37_B     0.555     0    0.031   0.085     0.811   95.238   92.208
LGA    R    38_B      R    38_B     0.276     0    0.031   0.089     0.647  100.000   99.134
LGA    Q    39_B      Q    39_B     0.336     0    0.056   0.195     0.883   97.619   96.825
LGA    A    40_B      A    40_B     0.770     0    0.020   0.040     0.867   90.476   90.476
LGA    P    41_B      P    41_B     0.820     0    0.031   0.319     2.132   95.238   86.939
LGA    G    42_B      G    42_B     0.685     0    0.336   0.336     1.487   88.214   88.214
LGA    K    43_B      K    43_B     0.631     0    0.049   0.655     1.626   90.476   85.556
LGA    E    44_B      E    44_B     0.331     0    0.023   0.767     3.714   97.619   80.106
LGA    R    45_B      R    45_B     0.309     0    0.030   0.172     0.661  100.000   99.134
LGA    E    46_B      E    46_B     0.585     0    0.086   0.554     2.240   92.857   83.757
LGA    G    47_B      G    47_B     1.134     0    0.005   0.005     1.313   83.690   83.690
LGA    V    48_B      V    48_B     0.464     0    0.031   0.039     0.626   97.619   98.639
LGA    A    49_B      A    49_B     0.526     0    0.049   0.064     0.638   92.857   92.381
LGA    G    50_B      G    50_B     0.414     0    0.038   0.038     0.504   97.619   97.619
LGA    I    51_B      I    51_B     0.466     0    0.057   0.082     0.781   95.238   95.238
LGA    C    52_B      C    52_B     0.575     0    0.037   0.788     5.451   79.881   68.413
LGA    A    53_B      A    53_B     2.844     0    0.475   0.452     4.643   56.786   54.095
LGA    N    54_B      N    54_B     0.429     0    0.261   0.406     3.505   97.619   80.536
LGA    G    55_B      G    55_B     0.839     0    0.037   0.037     1.654   86.190   86.190
LGA    K    56_B      K    56_B     1.859     0    0.054   0.535     2.559   72.976   69.365
LGA    A    57_B      A    57_B     1.624     0    0.149   0.167     1.721   77.143   76.286
LGA    I    58_B      I    58_B     0.699     0    0.093   1.035     2.810   92.857   81.131
LGA    H    59_B      H    59_B     0.419     0    0.046   1.165     5.655   95.238   71.667
LGA    Y    60_B      Y    60_B     0.334     0    0.047   0.180     0.498  100.000  100.000
LGA    V    61_B      V    61_B     0.224     0    0.031   0.063     0.442  100.000  100.000
LGA    D    62_B      D    62_B     0.280     0    0.037   0.215     0.872   97.619   97.619
LGA    S    63_B      S    63_B     0.287     0    0.061   0.062     0.417  100.000  100.000
LGA    V    64_B      V    64_B     0.177     0    0.035   0.065     0.315  100.000  100.000
LGA    K    65_B      K    65_B     0.283     0    0.034   0.656     2.879   97.619   85.079
LGA    G    66_B      G    66_B     0.592     0    0.021   0.021     0.626   90.476   90.476
LGA    R    67_B      R    67_B     0.486     0    0.023   0.109     0.523   95.238   98.268
LGA    F    68_B      F    68_B     0.378     0    0.023   0.090     0.487  100.000  100.000
LGA    T    69_B      T    69_B     0.168     0    0.025   0.056     0.326  100.000  100.000
LGA    I    70_B      I    70_B     0.216     0    0.038   0.236     0.604  100.000   97.619
LGA    S    71_B      S    71_B     0.270     0    0.030   0.045     0.498  100.000  100.000
LGA    Q    72_B      Q    72_B     0.539     0    0.044   1.151     2.420   90.476   83.651
LGA    D    73_B      D    73_B     0.792     0    0.037   0.119     1.310   90.476   87.083
LGA    N    74_B      N    74_B     1.287     0    0.055   1.046     3.900   81.429   73.512
LGA    A    75_B      A    75_B     1.313     0    0.057   0.056     1.452   85.952   85.048
LGA    K    76_B      K    76_B     0.462     0    0.145   1.117     2.916   90.595   85.873
LGA    N    77_B      N    77_B     1.160     0    0.063   0.206     2.727   88.214   75.595
LGA    T    78_B      T    78_B     0.387     0    0.065   0.115     0.624   97.619   98.639
LGA    V    79_B      V    79_B     0.214     0    0.026   0.042     0.356  100.000  100.000
LGA    Y    80_B      Y    80_B     0.146     0    0.040   0.091     0.416  100.000  100.000
LGA    L    81_B      L    81_B     0.301     0    0.056   0.076     0.398  100.000  100.000
LGA    Q    82_B      Q    82_B     0.309     0    0.047   0.228     1.075  100.000   94.762
LGA    M    83_B      M    83_B     0.560     0    0.110   0.140     0.984   92.857   91.667
LGA    N    84_B      N    84_B     0.465     0    0.032   0.189     1.294   97.619   90.655
LGA    S    85_B      S    85_B     0.222     0    0.025   0.044     0.349  100.000  100.000
LGA    L    86_B      L    86_B     0.204     0    0.042   0.080     0.306  100.000  100.000
LGA    K    87_B      K    87_B     0.355     0    0.037   0.786     3.864  100.000   82.011
LGA    P    88_B      P    88_B     0.382     0    0.045   0.092     0.625   97.619   97.279
LGA    E    89_B      E    89_B     0.605     0    0.061   0.241     1.362   97.619   91.640
LGA    D    90_B      D    90_B     0.273     0    0.047   0.073     0.310  100.000  100.000
LGA    T    91_B      T    91_B     0.237     0    0.067   0.130     0.553  100.000   98.639
LGA    A    92_B      A    92_B     0.258     0    0.032   0.038     0.279  100.000  100.000
LGA    M    93_B      M    93_B     0.267     0    0.035   0.925     4.742  100.000   84.881
LGA    Y    94_B      Y    94_B     0.320     0    0.029   0.074     0.340  100.000  100.000
LGA    Y    95_B      Y    95_B     0.313     0    0.021   0.089     0.562  100.000   99.206
LGA    C    96_B      C    96_B     0.454     0    0.054   0.687     2.300   97.619   90.952
LGA    A    97_B      A    97_B     0.178     0    0.033   0.048     0.672   97.619   98.095
LGA    A    98_B      A    98_B     0.263     0    0.093   0.123     0.536  100.000   98.095
LGA    D    99_B      D    99_B     1.351     0    0.056   0.370     3.044   85.952   72.619
LGA    S   100_B      S   100_B     1.678     0    0.682   0.582     3.632   65.476   61.508
LGA    R   101_B      R   101_B     1.346     0    0.028   1.169    14.698   66.190   29.264
LGA    G   102_B      G   102_B     4.652     0    0.216   0.216     4.652   49.524   49.524
LGA    G   103_B      G   103_B     5.840     0    0.096   0.096     6.010   28.333   28.333
LGA    I   104_B      I   104_B     4.123     0    0.080   0.630     9.495   45.833   29.940
LGA    W   105_B      W   105_B     3.367     0    0.584   1.396    12.044   53.690   21.939
LGA    Y   106_B      Y   106_B     3.729     0    0.640   0.767     8.518   45.000   26.190
LGA    E   107_B      E   107_B     4.162     0    0.032   0.124     9.192   43.452   24.392
LGA    Q   108_B      Q   108_B     2.416     0    0.045   0.840     3.828   69.048   63.492
LGA    Q   109_B      Q   109_B     1.431     0    0.011   1.393     5.109   81.548   64.974
LGA    L   110_B      L   110_B     1.177     0    0.103   0.136     3.914   83.690   68.750
LGA    S   111_B      S   111_B     1.060     0    0.105   0.491     1.670   88.214   83.095
LGA    T   112_B      T   112_B     0.319     0    0.070   0.148     0.782   95.238   93.197
LGA    L   113_B      L   113_B     1.731     0    0.118   0.184     3.706   75.000   62.560
LGA    R   114_B      R   114_B     1.554     0    0.091   0.263     2.503   77.143   70.043
LGA    Y   115_B      Y   115_B     0.552     0    0.048   0.084     1.354   90.476   89.008
LGA    N   116_B      N   116_B     0.550     0    0.079   0.142     0.916   90.476   90.476
LGA    Y   117_B      Y   117_B     0.335     0    0.048   0.111     0.447  100.000  100.000
LGA    W   118_B      W   118_B     0.242     0    0.053   0.120     0.841  100.000   95.238
LGA    G   119_B      G   119_B     0.425     0    0.029   0.029     0.425  100.000  100.000
LGA    Q   120_B      Q   120_B     0.199     0    0.046   1.050     4.696  100.000   83.704
LGA    G   121_B      G   121_B     0.481     0    0.076   0.076     0.611   97.619   97.619
LGA    T   122_B      T   122_B     0.337     0    0.025   0.195     0.761  100.000   98.639
LGA    Q   123_B      Q   123_B     0.243     0    0.045   0.088     0.460  100.000  100.000
LGA    V   124_B      V   124_B     0.188     0    0.045   0.089     0.526  100.000   98.639
LGA    T   125_B      T   125_B     0.249     0    0.098   0.442     1.577   97.619   93.401
LGA    V   126_B      V   126_B     0.486     0    0.025   0.036     0.734   95.238   97.279
LGA    S   127_B      S   127_B     1.044     0    0.028   0.662     2.863   83.690   78.889
LGA    S   128_B      S   128_B     1.321     0    0.186   0.654     2.582   81.429   75.952

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      128     512    512  100.00     979    979  100.00               128
SUMMARY(RMSD_GDC):     1.562          1.527                  2.748           87.746   82.239

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  128    4.0    124    1.23    90.234    94.610     9.327

LGA_LOCAL      RMSD:   1.230  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.569  Number of assigned atoms:  128 
Std_ASGN_ATOMS RMSD:   1.562  Standard rmsd on all 128 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.272994 * X  +   0.745764 * Y  +   0.607710 * Z  + -20.329336
  Y_new =  -0.655562 * X  +  -0.606537 * Y  +   0.449835 * Z  +  28.910698
  Z_new =   0.704069 * X  +  -0.275589 * Y  +   0.654475 * Z  +  27.151493 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.965383 -0.781111 -0.398550   [DEG: -112.6081  -44.7544  -22.8352 ]
ZXZ:  2.208004  0.857308  1.943888   [DEG:  126.5093   49.1201  111.3766 ]
 
# END of job
