
#######################################################
#                                                     #
#                        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       3.23     3.23
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       1.95     3.28
  LCS_AVERAGE:     68.95

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       1_B - 101_B       0.95     3.40
  LCS_AVERAGE:     65.94

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     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     V     2_B     V     2_B    101  103  126     58  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     Q     3_B     Q     3_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     L     4_B     L     4_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     Q     5_B     Q     5_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     E     6_B     E     6_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     S     7_B     S     7_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     G     8_B     G     8_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     G     9_B     G     9_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     G    10_B     G    10_B    101  103  126     71  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     L    11_B     L    11_B    101  103  126     71  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     V    12_B     V    12_B    101  103  126     62  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     Q    13_B     Q    13_B    101  103  126     62  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     P    14_B     P    14_B    101  103  126     53  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     G    15_B     G    15_B    101  103  126     54  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     G    16_B     G    16_B    101  103  126     71  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     S    17_B     S    17_B    101  103  126     66  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     L    18_B     L    18_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     R    19_B     R    19_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     L    20_B     L    20_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     S    21_B     S    21_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     C    22_B     C    22_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     A    23_B     A    23_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     A    24_B     A    24_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     S    25_B     S    25_B    101  103  126     57  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     G    26_B     G    26_B    101  103  126     10  102  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     F    27_B     F    27_B    101  103  126     44  102  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     R    28_B     R    28_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     F    29_B     F    29_B    101  103  126     66  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     S    30_B     S    30_B    101  103  126      7  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     S    31_B     S    31_B    101  103  126     23  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     Y    32_B     Y    32_B    101  103  126     27  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     W    33_B     W    33_B    101  103  126     60  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     M    34_B     M    34_B    101  103  126     67  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     Y    35_B     Y    35_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     W    36_B     W    36_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     V    37_B     V    37_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     R    38_B     R    38_B    101  103  126     67  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     Q    39_B     Q    39_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     A    40_B     A    40_B    101  103  126     63  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     P    41_B     P    41_B    101  103  126     23   98  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     G    42_B     G    42_B    101  103  126     41   98  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     K    43_B     K    43_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     G    44_B     G    44_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     L    45_B     L    45_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     E    46_B     E    46_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     W    47_B     W    47_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     V    48_B     V    48_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     S    49_B     S    49_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     A    50_B     A    50_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     I    51_B     I    51_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     N    52_B     N    52_B    101  103  126     61  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     S    53_B     S    53_B    101  103  126      4   77  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     S    54_B     S    54_B    101  103  126      3   25   41  109  113  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     G    55_B     G    55_B    101  103  126      3    3    4   12   58  109  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     G    56_B     G    56_B    101  103  126     12   67  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     Y    57_B     Y    57_B    101  103  126     50  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     T    58_B     T    58_B    101  103  126     61  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     R    59_B     R    59_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     Y    60_B     Y    60_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     A    61_B     A    61_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     D    62_B     D    62_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     S    63_B     S    63_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     V    64_B     V    64_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     K    65_B     K    65_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     G    66_B     G    66_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     R    67_B     R    67_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     F    68_B     F    68_B    101  103  126     67  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     T    69_B     T    69_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     I    70_B     I    70_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     S    71_B     S    71_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     R    72_B     R    72_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     D    73_B     D    73_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     N    74_B     N    74_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     A    75_B     A    75_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     K    76_B     K    76_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     N    77_B     N    77_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     T    78_B     T    78_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     L    79_B     L    79_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     Y    80_B     Y    80_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     L    81_B     L    81_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     Q    82_B     Q    82_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     M    83_B     M    83_B    101  103  126     67  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     N    84_B     N    84_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     S    85_B     S    85_B    101  103  126     62  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     L    86_B     L    86_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     R    87_B     R    87_B    101  103  126     71  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     A    88_B     A    88_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     E    89_B     E    89_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     D    90_B     D    90_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     T    91_B     T    91_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     A    92_B     A    92_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     V    93_B     V    93_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     Y    94_B     Y    94_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     Y    95_B     Y    95_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     C    96_B     C    96_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     A    97_B     A    97_B    101  103  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     T    98_B     T    98_B    101  103  126     16  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     D    99_B     D    99_B    101  103  126      4   97  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     S   100_B     S   100_B    101  103  126     19   84  108  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     G   101_B     G   101_B    101  103  126      9   27   69   95  112  114  115  116  117  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     D   102_B     D   102_B      4  103  126      3    4    7   10   25   43   66   89  104  113  118  120  120  120  120  121  122  123  124  124 
LCS_GDT     G   103_B     G   103_B      4  103  126      3    4    7   10   12   15   17   20   28   42   89  106  112  116  120  121  122  123  124  124 
LCS_GDT     K   104_B     K   104_B      4   11  126      3    4    5    9   12   15   17   19   21   23   29   36   46   72   86  109  118  120  124  124 
LCS_GDT     R   105_B     R   105_B      5   10  126      4    5    6    8   12   15   17   20   25   29   51   71   97  108  117  118  122  123  124  124 
LCS_GDT     Y   106_B     Y   106_B      5   10  126      4    5    6    9   12   15   17   22   29   55   74   97  107  115  118  120  122  123  124  124 
LCS_GDT     W   107_B     W   107_B      5    6  126      4    5    6    6   22   42   69   95  108  114  118  120  120  120  120  121  122  123  124  124 
LCS_GDT     S   108_B     S   108_B      5    6  126      4   12   27   62   87  108  114  116  117  118  118  120  120  120  120  121  122  123  124  124 
LCS_GDT     G   109_B     G   109_B      5    6  126      4    5    6  103  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     E   110_B     E   110_B      3   17  126      3    3    4    4    6   12   49   61  118  118  119  119  120  120  120  121  122  122  122  123 
LCS_GDT     Y   111_B     Y   111_B      3   17  126      3    3    4    4    6   17  112  116  118  118  119  119  120  120  120  121  122  122  122  123 
LCS_GDT     F   112_B     F   112_B     15   17  126     34  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     Y   113_B     Y   113_B     15   17  126     58  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     R   114_B     R   114_B     15   17  126     66  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     S   115_B     S   115_B     15   17  126     66  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     R   116_B     R   116_B     15   17  126     61  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     G   117_B     G   117_B     15   17  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     Q   118_B     Q   118_B     15   17  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     G   119_B     G   119_B     15   17  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     T   120_B     T   120_B     15   17  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     L   121_B     L   121_B     15   17  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     V   122_B     V   122_B     15   17  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     T   123_B     T   123_B     15   17  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     V   124_B     V   124_B     15   17  126     72  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     S   125_B     S   125_B     15   17  126     57  103  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_GDT     S   126_B     S   126_B     15   17  126      3   79  110  113  114  115  116  116  118  118  119  120  120  120  120  121  122  123  124  124 
LCS_AVERAGE  LCS_A:  78.30  (  65.94   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     72    103    110    113    114    115    116    116    118    118    119    120    120    120    120    121    122    123    124    124 
GDT PERCENT_AT  57.14  81.75  87.30  89.68  90.48  91.27  92.06  92.06  93.65  93.65  94.44  95.24  95.24  95.24  95.24  96.03  96.83  97.62  98.41  98.41
GDT RMS_LOCAL    0.34   0.50   0.58   0.66   0.72   0.78   0.88   0.89   1.19   1.09   1.27   1.64   1.38   1.38   1.38   1.60   1.86   2.71   3.08   3.08
GDT RMS_ALL_AT   3.40   3.42   3.41   3.41   3.41   3.42   3.43   3.40   3.50   3.38   3.47   3.30   3.44   3.44   3.44   3.40   3.35   3.23   3.24   3.24

# 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:  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    95_B      Y    95_B
#   possible swapping detected:  Y   106_B      Y   106_B
#   possible swapping detected:  E   110_B      E   110_B
#   possible swapping detected:  Y   111_B      Y   111_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     1_B      E     1_B     0.527     0    0.065   1.046     4.717   90.476   72.222
LGA    V     2_B      V     2_B     0.695     0    0.000   0.145     1.104   95.238   90.612
LGA    Q     3_B      Q     3_B     0.451     0    0.119   1.198     4.619   97.619   82.434
LGA    L     4_B      L     4_B     0.179     0    0.088   0.494     1.557  100.000   95.417
LGA    Q     5_B      Q     5_B     0.170     0    0.058   1.114     4.105  100.000   84.339
LGA    E     6_B      E     6_B     0.203     0    0.000   0.605     1.536  100.000   92.804
LGA    S     7_B      S     7_B     0.211     0    0.083   0.122     0.384  100.000  100.000
LGA    G     8_B      G     8_B     0.320     0    0.000   0.000     0.398  100.000  100.000
LGA    G     9_B      G     9_B     0.278     0    0.055   0.055     0.904   95.238   95.238
LGA    G    10_B      G    10_B     0.559     0    0.069   0.069     0.582   95.238   95.238
LGA    L    11_B      L    11_B     0.626     0    0.072   0.856     3.506   90.476   76.310
LGA    V    12_B      V    12_B     0.742     0    0.062   1.305     2.585   90.476   82.041
LGA    Q    13_B      Q    13_B     0.760     0    0.049   1.124     4.028   90.476   74.603
LGA    P    14_B      P    14_B     0.867     0    0.000   0.150     1.060   90.476   87.891
LGA    G    15_B      G    15_B     0.832     0    0.191   0.191     0.832   92.857   92.857
LGA    G    16_B      G    16_B     0.578     0    0.000   0.000     0.729   95.238   95.238
LGA    S    17_B      S    17_B     0.446     0    0.097   0.643     2.237   95.238   89.365
LGA    L    18_B      L    18_B     0.354     0    0.000   1.365     3.240  100.000   84.762
LGA    R    19_B      R    19_B     0.288     0    0.122   1.026     4.148   97.619   81.039
LGA    L    20_B      L    20_B     0.165     0    0.058   1.202     2.873  100.000   90.238
LGA    S    21_B      S    21_B     0.440     0    0.048   0.411     1.163   97.619   93.730
LGA    C    22_B      C    22_B     0.520     0    0.077   0.120     0.771   95.238   93.651
LGA    A    23_B      A    23_B     0.469     0    0.081   0.075     0.505  100.000   98.095
LGA    A    24_B      A    24_B     0.299     0    0.063   0.109     0.587   97.619   98.095
LGA    S    25_B      S    25_B     0.685     0    0.045   0.118     0.872   92.857   92.063
LGA    G    26_B      G    26_B     1.206     0    0.070   0.070     1.786   81.548   81.548
LGA    F    27_B      F    27_B     1.104     0    0.052   0.343     1.391   85.952   86.364
LGA    R    28_B      R    28_B     0.414     0    0.146   1.040     2.827   95.238   88.442
LGA    F    29_B      F    29_B     0.650     0    0.040   0.344     1.768   95.238   86.537
LGA    S    30_B      S    30_B     0.976     0    0.046   0.576     1.571   88.214   84.524
LGA    S    31_B      S    31_B     1.169     0    0.737   0.921     3.000   77.619   77.460
LGA    Y    32_B      Y    32_B     1.026     0    0.075   0.314     3.826   79.405   70.556
LGA    W    33_B      W    33_B     0.725     0    0.066   0.620     6.069   88.214   61.259
LGA    M    34_B      M    34_B     0.600     0    0.034   0.780     3.195   92.857   84.405
LGA    Y    35_B      Y    35_B     0.596     0    0.037   1.127     7.375   90.476   58.611
LGA    W    36_B      W    36_B     0.531     0    0.074   0.146     0.595   92.857   94.558
LGA    V    37_B      V    37_B     0.511     0    0.080   1.029     2.842   90.476   83.197
LGA    R    38_B      R    38_B     0.751     0    0.069   1.083     3.034   90.476   81.905
LGA    Q    39_B      Q    39_B     0.201     0    0.053   0.881     3.197  100.000   92.328
LGA    A    40_B      A    40_B     0.595     0    0.057   0.057     0.750   92.857   92.381
LGA    P    41_B      P    41_B     1.394     0    0.082   0.133     1.983   81.429   78.980
LGA    G    42_B      G    42_B     1.295     0    0.099   0.099     1.338   85.952   85.952
LGA    K    43_B      K    43_B     0.421     0    0.023   0.619     2.566   92.857   85.926
LGA    G    44_B      G    44_B     0.647     0    0.083   0.083     0.647   92.857   92.857
LGA    L    45_B      L    45_B     0.692     0    0.024   1.177     2.581   90.476   81.012
LGA    E    46_B      E    46_B     0.669     0    0.048   0.922     3.352   88.214   76.402
LGA    W    47_B      W    47_B     0.572     0    0.079   0.224     1.084   90.476   92.551
LGA    V    48_B      V    48_B     0.498     0    0.012   0.071     0.692   97.619   94.558
LGA    S    49_B      S    49_B     0.399     0    0.057   0.242     1.042   97.619   95.317
LGA    A    50_B      A    50_B     0.391     0    0.066   0.069     0.644  100.000   98.095
LGA    I    51_B      I    51_B     0.331     0    0.026   0.111     0.551   97.619   98.810
LGA    N    52_B      N    52_B     0.601     0    0.172   1.084     4.693   90.595   72.202
LGA    S    53_B      S    53_B     1.556     0    0.112   0.470     5.632   83.929   67.857
LGA    S    54_B      S    54_B     3.106     0    0.065   0.625     5.306   48.095   43.492
LGA    G    55_B      G    55_B     4.302     0    0.145   0.145     4.302   54.286   54.286
LGA    G    56_B      G    56_B     1.746     0    0.199   0.199     3.210   67.262   67.262
LGA    Y    57_B      Y    57_B     0.825     0    0.136   1.439     7.232   88.214   61.667
LGA    T    58_B      T    58_B     0.626     0    0.057   1.099     2.839   95.238   84.762
LGA    R    59_B      R    59_B     0.181     0    0.048   0.792     6.615   97.619   67.143
LGA    Y    60_B      Y    60_B     0.434     0    0.087   0.277     0.751   95.238   92.063
LGA    A    61_B      A    61_B     0.579     0    0.080   0.092     0.742   90.476   90.476
LGA    D    62_B      D    62_B     0.595     0    0.051   0.960     3.084   95.238   82.381
LGA    S    63_B      S    63_B     0.304     0    0.072   0.660     2.277   97.619   92.540
LGA    V    64_B      V    64_B     0.327     0    0.058   0.070     0.733   97.619   97.279
LGA    K    65_B      K    65_B     0.358     0    0.022   0.808     2.069  100.000   86.032
LGA    G    66_B      G    66_B     0.348     0    0.122   0.122     0.504   97.619   97.619
LGA    R    67_B      R    67_B     0.292     0    0.069   0.453     1.534   97.619   91.515
LGA    F    68_B      F    68_B     0.454     0    0.038   0.474     1.247   97.619   92.294
LGA    T    69_B      T    69_B     0.369     0    0.173   0.981     1.943   95.357   89.592
LGA    I    70_B      I    70_B     0.246     0    0.000   0.126     0.613  100.000   98.810
LGA    S    71_B      S    71_B     0.392     0    0.000   0.108     0.624  100.000   98.413
LGA    R    72_B      R    72_B     0.561     0    0.010   1.295     5.639   95.238   75.195
LGA    D    73_B      D    73_B     0.407     0    0.030   0.213     1.357  100.000   95.298
LGA    N    74_B      N    74_B     0.363     0    0.000   0.855     2.496  100.000   90.893
LGA    A    75_B      A    75_B     0.251     0    0.000   0.000     0.477  100.000  100.000
LGA    K    76_B      K    76_B     0.231     0    0.544   0.880     2.711   88.810   81.323
LGA    N    77_B      N    77_B     0.275     0    0.200   0.223     0.978  100.000   95.238
LGA    T    78_B      T    78_B     0.446     0    0.061   0.132     1.128  100.000   94.626
LGA    L    79_B      L    79_B     0.268     0    0.079   0.093     0.631  100.000   96.429
LGA    Y    80_B      Y    80_B     0.340     0    0.000   0.303     1.955   97.619   87.738
LGA    L    81_B      L    81_B     0.328     0    0.031   0.273     1.444  100.000   92.976
LGA    Q    82_B      Q    82_B     0.355     0    0.000   0.190     0.630  100.000   98.942
LGA    M    83_B      M    83_B     0.447     0    0.055   0.615     1.803  100.000   94.226
LGA    N    84_B      N    84_B     0.425     0    0.070   0.275     1.637   95.238   90.655
LGA    S    85_B      S    85_B     0.934     0    0.064   0.681     2.605   88.214   81.905
LGA    L    86_B      L    86_B     0.540     0    0.000   0.250     0.992   90.476   94.048
LGA    R    87_B      R    87_B     0.739     0    0.000   0.528     1.915   95.238   84.113
LGA    A    88_B      A    88_B     0.408     0    0.082   0.102     0.612  100.000   98.095
LGA    E    89_B      E    89_B     0.463     0    0.104   0.715     2.519   97.619   85.979
LGA    D    90_B      D    90_B     0.418     0    0.060   0.136     0.672  100.000   95.238
LGA    T    91_B      T    91_B     0.246     0    0.000   0.092     0.413  100.000  100.000
LGA    A    92_B      A    92_B     0.354     0    0.045   0.052     0.354  100.000  100.000
LGA    V    93_B      V    93_B     0.379     0    0.069   0.280     1.098  100.000   95.986
LGA    Y    94_B      Y    94_B     0.401     0    0.118   0.109     0.768   97.619   99.206
LGA    Y    95_B      Y    95_B     0.548     0    0.063   0.272     0.735   97.619   96.032
LGA    C    96_B      C    96_B     0.357     0    0.038   0.591     1.281  100.000   95.317
LGA    A    97_B      A    97_B     0.294     0    0.050   0.069     0.531  100.000   98.095
LGA    T    98_B      T    98_B     0.837     0    0.044   0.181     1.582   90.476   87.959
LGA    D    99_B      D    99_B     1.458     0    0.473   1.233     5.667   67.738   59.226
LGA    S   100_B      S   100_B     2.076     0    0.682   0.588     6.005   49.524   54.603
LGA    G   101_B      G   101_B     4.710     0    0.221   0.221     9.145   20.833   20.833
LGA    D   102_B      D   102_B    10.954     0    0.530   0.855    15.767    1.190    0.595
LGA    G   103_B      G   103_B    14.803     0    0.092   0.092    15.878    0.000    0.000
LGA    K   104_B      K   104_B    18.809     0    0.065   1.242    21.229    0.000    0.000
LGA    R   105_B      R   105_B    16.627     0    0.159   1.128    18.075    0.000    0.000
LGA    Y   106_B      Y   106_B    14.312     0    0.070   1.555    23.540    0.000    0.000
LGA    W   107_B      W   107_B     9.048     0    0.066   1.366    11.047    2.262    4.456
LGA    S   108_B      S   108_B     5.718     0    0.099   0.697     6.625   33.810   28.254
LGA    G   109_B      G   109_B     3.278     0    0.659   0.659     6.434   38.571   38.571
LGA    E   110_B      E   110_B     6.575     0    0.056   0.755    14.337   17.143    8.148
LGA    Y   111_B      Y   111_B     6.354     0    0.586   1.586    15.431   26.786    9.683
LGA    F   112_B      F   112_B     1.049     0    0.673   0.640     3.888   73.095   63.160
LGA    Y   113_B      Y   113_B     0.710     0    0.198   1.265    10.750   86.071   48.611
LGA    R   114_B      R   114_B     0.519     0    0.061   1.691     9.164   90.476   55.498
LGA    S   115_B      S   115_B     0.576     0    0.063   0.087     1.621   95.238   89.206
LGA    R   116_B      R   116_B     0.565     0    0.077   1.175     5.855   97.619   72.078
LGA    G   117_B      G   117_B     0.266     0    0.085   0.085     0.266  100.000  100.000
LGA    Q   118_B      Q   118_B     0.130     0    0.002   1.132     5.081  100.000   79.312
LGA    G   119_B      G   119_B     0.402     0    0.084   0.084     0.940   95.238   95.238
LGA    T   120_B      T   120_B     0.480     0    0.050   1.008     2.284  100.000   88.571
LGA    L   121_B      L   121_B     0.246     0    0.037   1.066     4.212  100.000   85.417
LGA    V   122_B      V   122_B     0.164     0    0.000   0.179     0.646  100.000   98.639
LGA    T   123_B      T   123_B     0.129     0    0.062   0.547     1.413   97.619   93.333
LGA    V   124_B      V   124_B     0.319     0    0.000   0.085     0.878   95.238   94.558
LGA    S   125_B      S   125_B     0.972     0    0.112   0.542     1.705   90.476   84.603
LGA    S   126_B      S   126_B     1.654     0    0.653   0.975     4.027   69.286   59.603

# 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):     3.229          3.205                  4.182           85.941   79.430

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  126    4.0    116    0.88    89.881    85.607    11.886

LGA_LOCAL      RMSD:   0.876  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.431  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   3.229  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.372055 * X  +  -0.865957 * Y  +  -0.334205 * Z  + 264.245422
  Y_new =  -0.886195 * X  +  -0.438491 * Y  +   0.149613 * Z  + 270.116455
  Z_new =  -0.276105 * X  +   0.240507 * Y  +  -0.930550 * Z  + 181.970840 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.173309  0.279739  2.888671   [DEG:  -67.2257   16.0278  165.5087 ]
ZXZ: -1.991709  2.766708 -0.854196   [DEG: -114.1165  158.5207  -48.9418 ]
 
# END of job
