
#######################################################
#                                                     #
#                        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       2.52     2.52
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       1.68     2.54
  LCS_AVERAGE:     68.95

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       1_B - 101_B       0.83     2.66
  LCS_AVERAGE:     65.92

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  103  126     46  107  111  114  115  116  117  117  118  119  119  123  124  124  124  124  124  126  126  126 
LCS_GDT     V     2_B     V     2_B    101  103  126     28  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Q     3_B     Q     3_B    101  103  126     62  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     L     4_B     L     4_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Q     5_B     Q     5_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     E     6_B     E     6_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S     7_B     S     7_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G     8_B     G     8_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G     9_B     G     9_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G    10_B     G    10_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     L    11_B     L    11_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     V    12_B     V    12_B    101  103  126     73  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Q    13_B     Q    13_B    101  103  126     66  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     P    14_B     P    14_B    101  103  126     57  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G    15_B     G    15_B    101  103  126     78  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G    16_B     G    16_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S    17_B     S    17_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     L    18_B     L    18_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     R    19_B     R    19_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     L    20_B     L    20_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S    21_B     S    21_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     C    22_B     C    22_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     A    23_B     A    23_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     A    24_B     A    24_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S    25_B     S    25_B    101  103  126     73  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G    26_B     G    26_B    101  103  126     38  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     F    27_B     F    27_B    101  103  126     28  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     R    28_B     R    28_B    101  103  126     58  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     F    29_B     F    29_B    101  103  126     81  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S    30_B     S    30_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S    31_B     S    31_B    101  103  126     69  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Y    32_B     Y    32_B    101  103  126     53  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     W    33_B     W    33_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     M    34_B     M    34_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Y    35_B     Y    35_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     W    36_B     W    36_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     V    37_B     V    37_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     R    38_B     R    38_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Q    39_B     Q    39_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     A    40_B     A    40_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     P    41_B     P    41_B    101  103  126     79  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G    42_B     G    42_B    101  103  126     72  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     K    43_B     K    43_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G    44_B     G    44_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     L    45_B     L    45_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     E    46_B     E    46_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     W    47_B     W    47_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     V    48_B     V    48_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S    49_B     S    49_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     A    50_B     A    50_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     I    51_B     I    51_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     N    52_B     N    52_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S    53_B     S    53_B    101  103  126      9  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S    54_B     S    54_B    101  103  126     75  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G    55_B     G    55_B    101  103  126     12  103  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G    56_B     G    56_B    101  103  126      6   43   96  114  115  116  117  117  118  119  119  123  124  124  124  124  124  126  126  126 
LCS_GDT     Y    57_B     Y    57_B    101  103  126     17  101  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     T    58_B     T    58_B    101  103  126     69  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     R    59_B     R    59_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Y    60_B     Y    60_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     A    61_B     A    61_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     D    62_B     D    62_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S    63_B     S    63_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     V    64_B     V    64_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     K    65_B     K    65_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G    66_B     G    66_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     R    67_B     R    67_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     F    68_B     F    68_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     T    69_B     T    69_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     I    70_B     I    70_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S    71_B     S    71_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     R    72_B     R    72_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     D    73_B     D    73_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     N    74_B     N    74_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     A    75_B     A    75_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     K    76_B     K    76_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     N    77_B     N    77_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     T    78_B     T    78_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     L    79_B     L    79_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Y    80_B     Y    80_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     L    81_B     L    81_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Q    82_B     Q    82_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     M    83_B     M    83_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     N    84_B     N    84_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S    85_B     S    85_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     L    86_B     L    86_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     R    87_B     R    87_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     A    88_B     A    88_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     E    89_B     E    89_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     D    90_B     D    90_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     T    91_B     T    91_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     A    92_B     A    92_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     V    93_B     V    93_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Y    94_B     Y    94_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Y    95_B     Y    95_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     C    96_B     C    96_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     A    97_B     A    97_B    101  103  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     T    98_B     T    98_B    101  103  126     38  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     D    99_B     D    99_B    101  103  126      3   62  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S   100_B     S   100_B    101  103  126      3   28  101  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G   101_B     G   101_B    101  103  126      4   15   38   86  104  114  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     D   102_B     D   102_B      5  103  126      3    4    7   11   12   20   29   60  108  115  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G   103_B     G   103_B      5  103  126      3    4    9   11   12   21   32   60  106  115  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     K   104_B     K   104_B      4   14  126      3    4    5    8   12   21   30   42   75  112  118  122  124  124  124  124  124  126  126  126 
LCS_GDT     R   105_B     R   105_B      4    9  126      3    4    5    6   49   77   99  110  116  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Y   106_B     Y   106_B      4    7  126      3    3    5    7   12   25   52   86  108  115  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     W   107_B     W   107_B      4    6  126      3    3    5    6    7   25   44   86  108  117  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S   108_B     S   108_B      4    6  126      3    3   26   47   86  107  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G   109_B     G   109_B      3    6  126      3    3    4    4  114  116  116  117  118  119  119  123  124  124  124  124  124  126  126  126 
LCS_GDT     E   110_B     E   110_B      3   17  126      3    3    4    4    6    9   14   18  116  118  118  119  120  120  120  122  123  126  126  126 
LCS_GDT     Y   111_B     Y   111_B      3   17  126      3    3    4    4    6  101  111  116  117  118  118  119  120  120  120  122  124  126  126  126 
LCS_GDT     F   112_B     F   112_B     15   17  126     28   96  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Y   113_B     Y   113_B     15   17  126     38  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     R   114_B     R   114_B     15   17  126     59  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S   115_B     S   115_B     15   17  126     79  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     R   116_B     R   116_B     15   17  126     81  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G   117_B     G   117_B     15   17  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Q   118_B     Q   118_B     15   17  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G   119_B     G   119_B     15   17  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     T   120_B     T   120_B     15   17  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     L   121_B     L   121_B     15   17  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     V   122_B     V   122_B     15   17  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     T   123_B     T   123_B     15   17  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     V   124_B     V   124_B     15   17  126     83  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S   125_B     S   125_B     15   17  126     57  107  111  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S   126_B     S   126_B     15   17  126     22   85  110  114  115  116  117  117  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_AVERAGE  LCS_A:  78.29  (  65.92   68.95  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     83    107    111    114    115    116    117    117    118    119    120    123    124    124    124    124    124    126    126    126 
GDT PERCENT_AT  65.87  84.92  88.10  90.48  91.27  92.06  92.86  92.86  93.65  94.44  95.24  97.62  98.41  98.41  98.41  98.41  98.41 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.47   0.53   0.63   0.67   0.74   0.97   0.88   1.02   1.29   2.08   2.12   2.33   2.33   2.33   2.33   2.22   2.52   2.52   2.52
GDT RMS_ALL_AT   2.66   2.68   2.70   2.68   2.69   2.69   2.63   2.66   2.63   2.59   2.52   2.52   2.52   2.52   2.52   2.52   2.52   2.52   2.52   2.52

# Checking swapping
#   possible swapping detected:  E     1_B      E     1_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  Y    35_B      Y    35_B
#   possible swapping detected:  Y    57_B      Y    57_B
#   possible swapping detected:  Y    60_B      Y    60_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  E    89_B      E    89_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  Y   106_B      Y   106_B
#   possible swapping detected:  F   112_B      F   112_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     1.057     0    0.167   0.839     3.471   77.262   74.286
LGA    V     2_B      V     2_B     1.177     0    0.034   1.298     3.535   85.952   76.190
LGA    Q     3_B      Q     3_B     0.869     0    0.099   0.956     4.168   90.595   77.884
LGA    L     4_B      L     4_B     0.192     0    0.085   1.318     3.028   97.619   87.202
LGA    Q     5_B      Q     5_B     0.132     0    0.036   0.879     3.317  100.000   85.608
LGA    E     6_B      E     6_B     0.075     0    0.024   0.216     0.718  100.000   97.884
LGA    S     7_B      S     7_B     0.127     0    0.065   0.494     1.780  100.000   95.476
LGA    G     8_B      G     8_B     0.313     0    0.033   0.033     0.439  100.000  100.000
LGA    G     9_B      G     9_B     0.322     0    0.056   0.056     0.980   95.238   95.238
LGA    G    10_B      G    10_B     0.535     0    0.061   0.061     0.545   95.238   95.238
LGA    L    11_B      L    11_B     0.531     0    0.034   0.308     0.737   90.476   92.857
LGA    V    12_B      V    12_B     0.669     0    0.058   1.223     2.511   90.476   82.041
LGA    Q    13_B      Q    13_B     0.710     0    0.062   1.324     5.180   90.476   73.175
LGA    P    14_B      P    14_B     0.864     0    0.063   0.165     1.132   90.476   87.891
LGA    G    15_B      G    15_B     0.680     0    0.172   0.172     0.686   92.857   92.857
LGA    G    16_B      G    16_B     0.557     0    0.023   0.023     0.622   95.238   95.238
LGA    S    17_B      S    17_B     0.434     0    0.084   0.120     1.050   95.238   92.143
LGA    L    18_B      L    18_B     0.228     0    0.048   1.365     2.919   97.619   84.583
LGA    R    19_B      R    19_B     0.307     0    0.150   0.949     2.487   97.619   89.177
LGA    L    20_B      L    20_B     0.105     0    0.061   1.208     2.686  100.000   89.048
LGA    S    21_B      S    21_B     0.369     0    0.026   0.725     1.961  100.000   93.889
LGA    C    22_B      C    22_B     0.501     0    0.055   0.106     0.694   97.619   95.238
LGA    A    23_B      A    23_B     0.373     0    0.052   0.060     0.406  100.000  100.000
LGA    A    24_B      A    24_B     0.375     0    0.045   0.081     0.601  100.000   98.095
LGA    S    25_B      S    25_B     0.748     0    0.019   0.630     1.770   92.857   89.127
LGA    G    26_B      G    26_B     1.067     0    0.075   0.075     1.161   83.690   83.690
LGA    F    27_B      F    27_B     1.236     0    0.038   0.354     1.480   83.690   84.719
LGA    R    28_B      R    28_B     0.795     0    0.066   0.762     3.023   90.476   75.931
LGA    F    29_B      F    29_B     0.360     0    0.066   0.210     0.941  100.000   97.403
LGA    S    30_B      S    30_B     0.555     0    0.046   0.098     1.278   92.857   90.556
LGA    S    31_B      S    31_B     0.985     0    0.038   0.110     1.577   88.214   84.524
LGA    Y    32_B      Y    32_B     0.890     0    0.019   0.431     3.969   92.857   72.222
LGA    W    33_B      W    33_B     0.515     0    0.060   1.259     5.764   92.857   70.238
LGA    M    34_B      M    34_B     0.576     0    0.053   0.801     2.762   92.857   85.298
LGA    Y    35_B      Y    35_B     0.420     0    0.049   1.251     9.032   97.619   58.810
LGA    W    36_B      W    36_B     0.312     0    0.021   0.091     0.526   97.619   99.320
LGA    V    37_B      V    37_B     0.498     0    0.066   1.055     2.788   97.619   85.034
LGA    R    38_B      R    38_B     0.518     0    0.038   0.956     3.018   92.857   86.061
LGA    Q    39_B      Q    39_B     0.327     0    0.043   0.266     1.295  100.000   95.820
LGA    A    40_B      A    40_B     0.291     0    0.045   0.046     0.425  100.000  100.000
LGA    P    41_B      P    41_B     0.568     0    0.059   0.235     0.754   92.857   93.197
LGA    G    42_B      G    42_B     0.862     0    0.114   0.114     1.458   88.214   88.214
LGA    K    43_B      K    43_B     0.566     0    0.031   0.644     1.172   90.476   89.471
LGA    G    44_B      G    44_B     0.411     0    0.091   0.091     0.537   97.619   97.619
LGA    L    45_B      L    45_B     0.480     0    0.049   1.015     3.464  100.000   86.845
LGA    E    46_B      E    46_B     0.528     0    0.037   0.785     3.328   92.857   83.122
LGA    W    47_B      W    47_B     0.553     0    0.087   0.181     2.187   92.857   80.476
LGA    V    48_B      V    48_B     0.247     0    0.069   0.090     0.607  100.000   98.639
LGA    S    49_B      S    49_B     0.206     0    0.042   0.178     0.559  100.000   98.413
LGA    A    50_B      A    50_B     0.283     0    0.033   0.043     0.402  100.000  100.000
LGA    I    51_B      I    51_B     0.350     0    0.026   0.106     0.512  100.000   98.810
LGA    N    52_B      N    52_B     0.396     0    0.089   0.795     3.923  100.000   82.262
LGA    S    53_B      S    53_B     0.962     0    0.018   0.499     1.735   92.857   87.619
LGA    S    54_B      S    54_B     0.734     0    0.126   0.613     3.038   86.190   79.365
LGA    G    55_B      G    55_B     1.260     0    0.069   0.069     1.593   81.548   81.548
LGA    G    56_B      G    56_B     2.549     0    0.231   0.231     2.549   64.881   64.881
LGA    Y    57_B      Y    57_B     1.532     0    0.103   1.416     6.839   79.405   57.262
LGA    T    58_B      T    58_B     0.809     0    0.034   0.080     1.138   88.214   87.891
LGA    R    59_B      R    59_B     0.399     0    0.038   1.259     5.624   97.619   77.619
LGA    Y    60_B      Y    60_B     0.219     0    0.044   0.337     1.094  100.000   96.071
LGA    A    61_B      A    61_B     0.296     0    0.102   0.110     0.398  100.000  100.000
LGA    D    62_B      D    62_B     0.215     0    0.062   1.057     4.170  100.000   81.429
LGA    S    63_B      S    63_B     0.337     0    0.072   0.094     0.549   97.619   98.413
LGA    V    64_B      V    64_B     0.276     0    0.094   0.105     0.762   97.619   97.279
LGA    K    65_B      K    65_B     0.116     0    0.031   0.655     3.321  100.000   83.598
LGA    G    66_B      G    66_B     0.183     0    0.136   0.136     0.872   97.619   97.619
LGA    R    67_B      R    67_B     0.221     0    0.057   0.979     2.979  100.000   89.394
LGA    F    68_B      F    68_B     0.365     0    0.082   0.394     1.107   97.619   93.983
LGA    T    69_B      T    69_B     0.312     0    0.144   0.147     0.842   97.619   98.639
LGA    I    70_B      I    70_B     0.248     0    0.026   0.635     2.152  100.000   94.405
LGA    S    71_B      S    71_B     0.296     0    0.033   0.086     0.485  100.000  100.000
LGA    R    72_B      R    72_B     0.287     0    0.023   0.906     2.231  100.000   90.173
LGA    D    73_B      D    73_B     0.211     0    0.028   0.314     0.961  100.000   97.619
LGA    N    74_B      N    74_B     0.251     0    0.070   0.848     2.157   97.619   91.012
LGA    A    75_B      A    75_B     0.518     0    0.020   0.031     0.711   95.238   94.286
LGA    K    76_B      K    76_B     0.381     0    0.122   0.455     1.818  100.000   90.741
LGA    N    77_B      N    77_B     0.238     0    0.047   0.340     1.257   97.619   95.298
LGA    T    78_B      T    78_B     0.523     0    0.054   0.099     1.078   97.619   93.265
LGA    L    79_B      L    79_B     0.213     0    0.054   0.082     0.578  100.000   98.810
LGA    Y    80_B      Y    80_B     0.354     0    0.060   0.251     1.262  100.000   95.317
LGA    L    81_B      L    81_B     0.291     0    0.026   0.204     0.766  100.000   97.619
LGA    Q    82_B      Q    82_B     0.345     0    0.039   0.264     0.582  100.000   98.942
LGA    M    83_B      M    83_B     0.432     0    0.024   0.648     1.784  100.000   94.226
LGA    N    84_B      N    84_B     0.243     0    0.047   0.204     0.846  100.000   98.810
LGA    S    85_B      S    85_B     0.547     0    0.067   0.093     0.930   92.857   93.651
LGA    L    86_B      L    86_B     0.436     0    0.045   0.247     0.795   97.619   97.619
LGA    R    87_B      R    87_B     0.437     0    0.036   0.209     1.147  100.000   93.117
LGA    A    88_B      A    88_B     0.285     0    0.073   0.084     0.512  100.000   98.095
LGA    E    89_B      E    89_B     0.360     0    0.088   0.760     2.537  100.000   85.132
LGA    D    90_B      D    90_B     0.307     0    0.072   0.134     0.736  100.000   95.238
LGA    T    91_B      T    91_B     0.199     0    0.030   0.071     0.323  100.000  100.000
LGA    A    92_B      A    92_B     0.264     0    0.030   0.054     0.264  100.000  100.000
LGA    V    93_B      V    93_B     0.332     0    0.073   0.781     1.958   97.619   90.884
LGA    Y    94_B      Y    94_B     0.304     0    0.123   0.130     0.736   97.619   99.206
LGA    Y    95_B      Y    95_B     0.442     0    0.045   0.160     0.755  100.000   93.651
LGA    C    96_B      C    96_B     0.306     0    0.030   0.580     1.275  100.000   95.317
LGA    A    97_B      A    97_B     0.174     0    0.072   0.090     0.304  100.000  100.000
LGA    T    98_B      T    98_B     0.834     0    0.034   0.097     1.321   92.857   90.544
LGA    D    99_B      D    99_B     1.604     0    0.479   0.493     3.996   65.595   70.357
LGA    S   100_B      S   100_B     2.410     0    0.696   0.866     6.324   47.976   52.302
LGA    G   101_B      G   101_B     5.193     0    0.160   0.160     8.961   19.881   19.881
LGA    D   102_B      D   102_B    10.534     0    0.671   1.133    15.472    1.190    0.595
LGA    G   103_B      G   103_B    11.457     0    0.056   0.056    11.948    0.000    0.000
LGA    K   104_B      K   104_B    12.870     0    0.611   1.137    16.596    0.000    0.000
LGA    R   105_B      R   105_B     8.978     0    0.052   1.338    11.092    0.952   14.026
LGA    Y   106_B      Y   106_B    10.840     0    0.056   1.202    21.999    4.167    1.389
LGA    W   107_B      W   107_B     8.700     0    0.619   1.089    13.376    3.810    1.088
LGA    S   108_B      S   108_B     5.604     0    0.113   0.107     6.392   34.762   30.397
LGA    G   109_B      G   109_B     3.503     0    0.666   0.666     6.721   34.524   34.524
LGA    E   110_B      E   110_B     6.822     0    0.059   1.299    13.188   15.714    7.354
LGA    Y   111_B      Y   111_B     6.198     0    0.634   0.476    16.360   25.476    9.127
LGA    F   112_B      F   112_B     1.401     0    0.663   1.305     9.060   73.095   41.688
LGA    Y   113_B      Y   113_B     0.815     0    0.217   1.342    10.082   86.071   50.714
LGA    R   114_B      R   114_B     0.647     0    0.022   1.068     5.740   90.476   74.545
LGA    S   115_B      S   115_B     0.441     0    0.023   0.027     0.899  100.000   96.825
LGA    R   116_B      R   116_B     0.525     0    0.079   1.150     6.831   97.619   63.939
LGA    G   117_B      G   117_B     0.214     0    0.097   0.097     0.414  100.000  100.000
LGA    Q   118_B      Q   118_B     0.480     0    0.016   0.575     2.806   97.619   86.984
LGA    G   119_B      G   119_B     0.396     0    0.040   0.040     0.790   95.238   95.238
LGA    T   120_B      T   120_B     0.307     0    0.022   1.042     2.317  100.000   89.932
LGA    L   121_B      L   121_B     0.198     0    0.031   1.132     2.906  100.000   90.060
LGA    V   122_B      V   122_B     0.208     0    0.024   0.176     0.544  100.000   97.279
LGA    T   123_B      T   123_B     0.058     0    0.078   0.494     1.307   97.619   93.333
LGA    V   124_B      V   124_B     0.243     0    0.006   0.089     0.714   97.619   97.279
LGA    S   125_B      S   125_B     0.846     0    0.054   0.081     1.349   85.952   87.460
LGA    S   126_B      S   126_B     1.811     0    0.381   0.557     5.223   59.405   58.968

# 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):     2.516          2.536                  3.606           87.390   81.809

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  126    4.0    117    0.88    91.667    86.650    11.899

LGA_LOCAL      RMSD:   0.883  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.657  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.516  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.931523 * X  +  -0.058669 * Y  +   0.358918 * Z  + -16.056755
  Y_new =   0.349455 * X  +  -0.417730 * Y  +   0.838679 * Z  + -15.200177
  Z_new =   0.100726 * X  +   0.906675 * Y  +   0.409627 * Z  + -91.318436 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.782696 -0.100897  1.146454   [DEG:  159.4368   -5.7810   65.6870 ]
ZXZ:  2.737221  1.148751  0.110640   [DEG:  156.8312   65.8186    6.3392 ]
 
# END of job
