
#######################################################
#                                                     #
#                        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  123 (  960),  selected  123 , name one
# Molecule2: number of CA atoms  123 (  960),  selected  123 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:H  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123       1_B - 123_B       3.06     3.06
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       1.54     3.25
  LCS_AVERAGE:     71.70

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100       1_B - 100_B       0.96     3.35
  LCS_AVERAGE:     67.30

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  123
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_H     Q     1_B    100  103  123     48  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     V     2_H     V     2_B    100  103  123     29  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     Q     3_H     Q     3_B    100  103  123     62  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     L     4_H     L     4_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     V     5_H     V     5_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     E     6_H     E     6_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     S     7_H     S     7_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     G     8_H     G     8_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     G     9_H     G     9_B    100  103  123     58  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     G    10_H     G    10_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     L    11_H     L    11_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     V    12_H     V    12_B    100  103  123     57  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     Q    13_H     Q    13_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     A    14_H     A    14_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     G    15_H     G    15_B    100  103  123     64  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     G    16_H     G    16_B    100  103  123     64  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     S    17_H     S    17_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     L    18_H     L    18_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     R    19_H     R    19_B    100  103  123     64  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     L    20_H     L    20_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     S    21_H     S    21_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     C    22_H     C    22_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     A    23_H     A    23_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     A    24_H     A    24_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     S    25_H     S    25_B    100  103  123     51  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     G    26_H     G    26_B    100  103  123     11   87  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     F    27_H     F    27_B    100  103  123     29  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     I    28_H     I    28_B    100  103  123     43  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     F    29_H     F    29_B    100  103  123     46  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     H    30_H     H    30_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     N    31_H     N    31_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     F    32_H     F    32_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     D    33_H     D    33_B    100  103  123     49  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     M    34_H     M    34_B    100  103  123     56  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     G    35_H     G    35_B    100  103  123     64  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     W    36_H     W    36_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     Y    37_H     Y    37_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     R    38_H     R    38_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     Q    39_H     Q    39_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     A    40_H     A    40_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     P    41_H     P    41_B    100  103  123     55  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     G    42_H     G    42_B    100  103  123     48  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     K    43_H     K    43_B    100  103  123     49  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     E    44_H     E    44_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     R    45_H     R    45_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     E    46_H     E    46_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     F    47_H     F    47_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     V    48_H     V    48_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     A    49_H     A    49_B    100  103  123     34  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     A    50_H     A    50_B    100  103  123     51  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     I    51_H     I    51_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     S    52_H     S    52_B    100  103  123     48  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     D    53_H     D    53_B    100  103  123      5  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     N    54_H     N    54_B    100  103  123     48  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     G    55_H     G    55_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     R    56_H     R    56_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     S    57_H     S    57_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     T    58_H     T    58_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     Y    59_H     Y    59_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     Y    60_H     Y    60_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     A    61_H     A    61_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     D    62_H     D    62_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     S    63_H     S    63_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     V    64_H     V    64_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     K    65_H     K    65_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     G    66_H     G    66_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     R    67_H     R    67_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     F    68_H     F    68_B    100  103  123     66  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     T    69_H     T    69_B    100  103  123     66  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     I    70_H     I    70_B    100  103  123     62  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     S    71_H     S    71_B    100  103  123     57  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     R    72_H     R    72_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     D    73_H     D    73_B    100  103  123     57  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     N    74_H     N    74_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     A    75_H     A    75_B    100  103  123     62  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     K    76_H     K    76_B    100  103  123     30  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     N    77_H     N    77_B    100  103  123     57  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     T    78_H     T    78_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     V    79_H     V    79_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     Y    80_H     Y    80_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     L    81_H     L    81_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     Q    82_H     Q    82_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     M    83_H     M    83_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     N    84_H     N    84_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     S    85_H     S    85_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     L    86_H     L    86_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     K    87_H     K    87_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     P    88_H     P    88_B    100  103  123     61  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     E    89_H     E    89_B    100  103  123     65  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     D    90_H     D    90_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     T    91_H     T    91_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     A    92_H     A    92_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     V    93_H     V    93_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     Y    94_H     Y    94_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     Y    95_H     Y    95_B    100  103  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     C    96_H     C    96_B    100  103  123     48  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     A    97_H     A    97_B    100  103  123     48  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     V    98_H     V    98_B    100  103  123     13  105  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     A    99_H     A    99_B    100  103  123      3    4   30   53  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     W   100_H     W   100_B    100  103  123      3    4    5    5   25   44   62  103  111  114  115  117  117  117  119  120  121  121  121  122 
LCS_GDT     L   101_H     L   101_B      4  103  123      3   24   64   98  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     S   102_H     S   102_B      4  103  123      3   15   37   58   82  104  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     I   103_H     I   103_B      4  103  123      3    3    4   15   20   31   40   51   62   72  115  117  118  119  119  120  121  121  121  122 
LCS_GDT     P   104_H     P   104_B      4    7  123      3    3    4    5    6    8    9   14   26   38   52   56   83  101  108  115  119  121  121  122 
LCS_GDT     D   105_H     D   105_B      4    7  123      3    3    4    5    6    7   10   12   16   24   30   36   51   65   70   84  100  116  121  122 
LCS_GDT     L   106_H     L   106_B      3    7  123      3    3    4   13   18   24   34   50   62   72   82   94  115  119  119  120  121  121  121  122 
LCS_GDT     A   107_H     A   107_B      3    7  123      3    3    4    5    6    7   13   21   35   49   65   86   97  104  119  120  121  121  121  122 
LCS_GDT     E   108_H     E   108_B      3    7  123      3    3    5   15   20   32   43   74   93  111  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     W   109_H     W   109_B      3    7  123      3    3    4    5   62   88  108  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     Y   110_H     Y   110_B      3   14  123      3    3    3   17   21   26   88  110  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     D   111_H     D   111_B      3   14  123      3   22   49   72  103  110  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     Y   112_H     Y   112_B     12   14  123     16   71  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     W   113_H     W   113_B     12   14  123     46  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     G   114_H     G   114_B     12   14  123     42  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     Q   115_H     Q   115_B     12   14  123     34  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     G   116_H     G   116_B     12   14  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     T   117_H     T   117_B     12   14  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     Q   118_H     Q   118_B     12   14  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     V   119_H     V   119_B     12   14  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     T   120_H     T   120_B     12   14  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     V   121_H     V   121_B     12   14  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     S   122_H     S   122_B     12   14  123     68  106  108  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_GDT     S   123_H     S   123_B     12   14  123      3   28   95  110  110  111  112  113  115  116  116  117  118  119  119  120  121  121  121  122 
LCS_AVERAGE  LCS_A:  79.67  (  67.30   71.70  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     68    106    108    110    110    111    112    113    115    116    116    117    118    119    119    120    121    121    121    122 
GDT PERCENT_AT  55.28  86.18  87.80  89.43  89.43  90.24  91.06  91.87  93.50  94.31  94.31  95.12  95.93  96.75  96.75  97.56  98.37  98.37  98.37  99.19
GDT RMS_LOCAL    0.37   0.54   0.58   0.64   0.64   0.71   0.81   0.93   1.25   1.41   1.41   1.53   1.89   2.14   1.99   2.22   2.45   2.45   2.45   2.73
GDT RMS_ALL_AT   3.28   3.32   3.33   3.34   3.34   3.35   3.34   3.31   3.23   3.20   3.20   3.22   3.13   3.10   3.14   3.11   3.08   3.08   3.08   3.07

# Checking swapping
#   possible swapping detected:  D    33_H      D    33_B
#   possible swapping detected:  E    89_H      E    89_B
#   possible swapping detected:  D   105_H      D   105_B
#   possible swapping detected:  E   108_H      E   108_B
#   possible swapping detected:  Y   110_H      Y   110_B
#   possible swapping detected:  Y   112_H      Y   112_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_H      Q     1_B     0.804     0    0.563   1.053     7.402   82.143   55.291
LGA    V     2_H      V     2_B     1.060     0    0.116   0.883     2.168   85.952   79.252
LGA    Q     3_H      Q     3_B     0.511     0    0.144   1.215     4.546   95.238   79.312
LGA    L     4_H      L     4_B     0.231     0    0.038   0.723     1.795   97.619   90.833
LGA    V     5_H      V     5_B     0.292     0    0.017   0.961     2.360  100.000   91.088
LGA    E     6_H      E     6_B     0.452     0    0.117   0.478     0.834   95.238   95.767
LGA    S     7_H      S     7_B     0.473     0    0.031   0.727     1.960   90.595   87.619
LGA    G     8_H      G     8_B     0.629     0    0.048   0.048     1.054   90.595   90.595
LGA    G     9_H      G     9_B     0.756     0    0.074   0.074     0.756   95.238   95.238
LGA    G    10_H      G    10_B     0.421     0    0.195   0.195     0.649   97.619   97.619
LGA    L    11_H      L    11_B     0.389     0    0.030   0.588     2.040  100.000   91.012
LGA    V    12_H      V    12_B     0.571     0    0.105   0.949     2.206   92.857   85.646
LGA    Q    13_H      Q    13_B     0.082     0    0.074   0.953     3.405   97.619   82.857
LGA    A    14_H      A    14_B     0.475     0    0.039   0.048     0.805   95.238   94.286
LGA    G    15_H      G    15_B     0.750     0    0.130   0.130     0.957   90.476   90.476
LGA    G    16_H      G    16_B     0.636     0    0.032   0.032     0.714   95.238   95.238
LGA    S    17_H      S    17_B     0.423     0    0.079   0.817     2.047   97.619   90.952
LGA    L    18_H      L    18_B     0.480     0    0.043   0.944     3.812  100.000   84.048
LGA    R    19_H      R    19_B     0.651     0    0.021   1.916     6.038   90.476   71.212
LGA    L    20_H      L    20_B     0.608     0    0.056   0.257     1.038   92.857   90.536
LGA    S    21_H      S    21_B     0.503     0    0.063   0.754     1.997   92.857   89.127
LGA    C    22_H      C    22_B     0.654     0    0.051   0.130     0.686   92.857   92.063
LGA    A    23_H      A    23_B     0.569     0    0.033   0.046     0.651   95.238   94.286
LGA    A    24_H      A    24_B     0.217     0    0.089   0.095     0.557   97.619   96.190
LGA    S    25_H      S    25_B     0.639     0    0.038   0.201     1.037   90.595   90.556
LGA    G    26_H      G    26_B     1.744     0    0.077   0.077     1.744   77.143   77.143
LGA    F    27_H      F    27_B     1.017     0    0.027   0.264     1.157   85.952   88.052
LGA    I    28_H      I    28_B     0.644     0    0.033   1.289     3.122   95.238   82.381
LGA    F    29_H      F    29_B     0.581     0    0.019   0.180     1.057   90.476   88.831
LGA    H    30_H      H    30_B     0.646     0    0.028   1.478     6.120   90.476   63.048
LGA    N    31_H      N    31_B     0.426     0    0.127   0.817     3.207  100.000   85.774
LGA    F    32_H      F    32_B     0.650     0    0.140   0.478     1.894   92.857   88.182
LGA    D    33_H      D    33_B     0.688     0    0.079   0.672     1.810   90.476   84.940
LGA    M    34_H      M    34_B     0.521     0    0.108   0.250     0.783   92.857   92.857
LGA    G    35_H      G    35_B     0.651     0    0.023   0.023     0.761   90.476   90.476
LGA    W    36_H      W    36_B     0.576     0    0.017   0.135     0.752   90.476   92.517
LGA    Y    37_H      Y    37_B     0.524     0    0.024   0.139     1.152   95.238   89.048
LGA    R    38_H      R    38_B     0.432     0    0.043   0.907     2.211  100.000   90.909
LGA    Q    39_H      Q    39_B     0.739     0    0.026   1.065     4.550   90.476   78.095
LGA    A    40_H      A    40_B     0.705     0    0.062   0.086     0.954   95.238   94.286
LGA    P    41_H      P    41_B     0.472     0    0.095   0.208     1.219   95.238   91.905
LGA    G    42_H      G    42_B     0.908     0    0.150   0.150     0.908   90.476   90.476
LGA    K    43_H      K    43_B     0.883     0    0.058   0.809     5.273   90.476   74.392
LGA    E    44_H      E    44_B     0.348     0    0.067   0.855     4.548  100.000   78.466
LGA    R    45_H      R    45_B     0.551     0    0.032   1.161     3.173   97.619   82.164
LGA    E    46_H      E    46_B     0.479     0    0.103   0.715     1.899   95.238   89.630
LGA    F    47_H      F    47_B     0.333     0    0.031   0.192     1.663  100.000   89.957
LGA    V    48_H      V    48_B     0.452     0    0.045   0.131     0.588   95.238   97.279
LGA    A    49_H      A    49_B     0.791     0    0.039   0.061     0.966   90.476   90.476
LGA    A    50_H      A    50_B     0.692     0    0.112   0.131     1.109   90.476   88.667
LGA    I    51_H      I    51_B     0.636     0    0.058   0.453     0.963   90.476   90.476
LGA    S    52_H      S    52_B     0.973     0    0.091   0.774     4.281   90.476   78.651
LGA    D    53_H      D    53_B     0.952     0    0.590   1.016     4.245   72.738   68.333
LGA    N    54_H      N    54_B     0.732     0    0.204   0.895     3.859   84.167   73.155
LGA    G    55_H      G    55_B     0.373     0    0.032   0.032     0.538   97.619   97.619
LGA    R    56_H      R    56_B     0.363     0    0.034   0.959     5.706  100.000   64.242
LGA    S    57_H      S    57_B     0.327     0    0.046   0.630     2.467  100.000   94.127
LGA    T    58_H      T    58_B     0.262     0    0.079   0.324     0.872  100.000   97.279
LGA    Y    59_H      Y    59_B     0.324     0    0.039   0.290     2.216  100.000   86.389
LGA    Y    60_H      Y    60_B     0.132     0    0.033   0.224     0.913  100.000   97.619
LGA    A    61_H      A    61_B     0.324     0    0.028   0.041     0.354  100.000  100.000
LGA    D    62_H      D    62_B     0.610     0    0.098   0.425     1.888   88.214   86.012
LGA    S    63_H      S    63_B     0.485     0    0.259   0.257     1.608   90.833   87.698
LGA    V    64_H      V    64_B     0.415     0    0.076   0.136     0.911  100.000   95.918
LGA    K    65_H      K    65_B     0.273     0    0.040   1.345     5.836  100.000   81.958
LGA    G    66_H      G    66_B     0.346     0    0.032   0.032     0.416  100.000  100.000
LGA    R    67_H      R    67_B     0.389     0    0.092   0.572     2.171   95.238   90.779
LGA    F    68_H      F    68_B     0.524     0    0.038   0.474     1.326   97.619   89.784
LGA    T    69_H      T    69_B     0.486     0    0.078   0.941     2.428   97.619   88.367
LGA    I    70_H      I    70_B     0.443     0    0.055   0.260     0.677  100.000   98.810
LGA    S    71_H      S    71_B     0.528     0    0.039   0.202     0.838   92.857   92.063
LGA    R    72_H      R    72_B     0.448     0    0.066   0.126     0.558  100.000   98.268
LGA    D    73_H      D    73_B     0.540     0    0.030   0.458     2.070   97.619   89.702
LGA    N    74_H      N    74_B     0.207     0    0.119   1.041     2.800   97.619   90.060
LGA    A    75_H      A    75_B     0.401     0    0.045   0.049     0.491  100.000  100.000
LGA    K    76_H      K    76_B     0.837     0    0.055   0.571     3.326   90.476   76.455
LGA    N    77_H      N    77_B     0.399     0    0.069   0.600     1.820  100.000   93.095
LGA    T    78_H      T    78_B     0.184     0    0.036   1.192     2.919  100.000   88.844
LGA    V    79_H      V    79_B     0.386     0    0.050   0.088     0.426  100.000  100.000
LGA    Y    80_H      Y    80_B     0.365     0    0.023   0.133     0.370  100.000  100.000
LGA    L    81_H      L    81_B     0.392     0    0.034   0.086     0.411  100.000  100.000
LGA    Q    82_H      Q    82_B     0.156     0    0.053   0.905     3.193  100.000   84.603
LGA    M    83_H      M    83_B     0.236     0    0.062   0.764     1.873  100.000   93.095
LGA    N    84_H      N    84_B     0.384     0    0.044   0.218     1.014  100.000   97.679
LGA    S    85_H      S    85_B     0.492     0    0.072   0.630     2.443   95.238   90.952
LGA    L    86_H      L    86_B     0.425     0    0.044   0.167     0.508  100.000   98.810
LGA    K    87_H      K    87_B     0.574     0    0.056   0.894     2.927   90.476   80.000
LGA    P    88_H      P    88_B     0.725     0    0.058   0.106     0.836   90.476   90.476
LGA    E    89_H      E    89_B     0.733     0    0.144   0.510     1.440   95.238   91.587
LGA    D    90_H      D    90_B     0.404     0    0.038   0.350     1.264   97.619   96.488
LGA    T    91_H      T    91_B     0.424     0    0.036   0.197     0.631   97.619   97.279
LGA    A    92_H      A    92_B     0.535     0    0.056   0.057     0.618   92.857   92.381
LGA    V    93_H      V    93_B     0.518     0    0.039   0.165     1.053   97.619   93.265
LGA    Y    94_H      Y    94_B     0.365     0    0.020   0.148     0.494  100.000  100.000
LGA    Y    95_H      Y    95_B     0.549     0    0.165   0.256     1.311   90.476   90.556
LGA    C    96_H      C    96_B     0.893     0    0.078   0.659     1.668   85.952   83.016
LGA    A    97_H      A    97_B     0.593     0    0.056   0.104     0.712   90.476   90.476
LGA    V    98_H      V    98_B     1.298     0    0.030   0.943     3.144   73.452   68.776
LGA    A    99_H      A    99_B     3.337     0    0.029   0.049     4.042   48.810   50.476
LGA    W   100_H      W   100_B     6.903     0    0.071   0.964    14.033   15.476    4.830
LGA    L   101_H      L   101_B     3.963     0    0.619   1.249     5.147   34.524   43.393
LGA    S   102_H      S   102_B     5.980     0    0.721   0.845     7.317   18.214   17.222
LGA    I   103_H      I   103_B    10.282     0    0.060   1.408    13.213    0.714    0.357
LGA    P   104_H      P   104_B    14.968     0    0.168   0.231    17.542    0.000    0.000
LGA    D   105_H      D   105_B    17.284     0    0.581   1.345    22.695    0.000    0.000
LGA    L   106_H      L   106_B    12.190     0    0.656   0.567    14.094    0.000    0.060
LGA    A   107_H      A   107_B    12.648     0    0.025   0.042    14.060    0.000    0.000
LGA    E   108_H      E   108_B    10.902     0    0.397   0.800    16.885    1.905    0.847
LGA    W   109_H      W   109_B     7.192     0    0.035   1.319    15.383   11.310    3.571
LGA    Y   110_H      Y   110_B     7.479     0    0.618   1.230     8.312   11.905   10.556
LGA    D   111_H      D   111_B     4.886     0    0.690   0.748     5.846   35.000   32.560
LGA    Y   112_H      Y   112_B     1.781     0    0.177   1.303     4.397   73.333   62.698
LGA    W   113_H      W   113_B     0.741     0    0.033   0.440     2.328   90.476   84.286
LGA    G   114_H      G   114_B     0.713     0    0.057   0.057     0.747   90.476   90.476
LGA    Q   115_H      Q   115_B     0.732     0    0.107   1.226     3.073   95.238   84.233
LGA    G   116_H      G   116_B     0.347     0    0.043   0.043     0.830   95.238   95.238
LGA    T   117_H      T   117_B     0.524     0    0.070   0.167     0.869   97.619   95.918
LGA    Q   118_H      Q   118_B     0.387     0    0.039   1.186     3.270   97.619   85.503
LGA    V   119_H      V   119_B     0.343     0    0.085   0.172     0.997  100.000   97.279
LGA    T   120_H      T   120_B     0.463     0    0.138   0.227     0.941   97.619   95.918
LGA    V   121_H      V   121_B     0.381     0    0.051   0.268     0.998  100.000   97.279
LGA    S   122_H      S   122_B     0.371     0    0.048   0.538     2.340   86.548   80.635
LGA    S   123_H      S   123_B     2.518     0    0.668   0.926     4.351   56.429   53.333

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      123     492    492  100.00     960    960  100.00               123
SUMMARY(RMSD_GDC):     3.062          3.032                  3.763           85.479   80.348

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  123    4.0    113    0.93    91.260    86.623    10.976

LGA_LOCAL      RMSD:   0.929  Number of atoms:  113  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.306  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.062  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.164464 * X  +  -0.804569 * Y  +   0.570632 * Z  +  40.854561
  Y_new =   0.678643 * X  +   0.512120 * Y  +   0.526476 * Z  +  -1.521888
  Z_new =  -0.715818 * X  +   0.300669 * Y  +   0.630240 * Z  +   8.395216 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.333038  0.797795  0.445136   [DEG:   76.3774   45.7103   25.5044 ]
ZXZ:  2.315969  0.888934 -1.173139   [DEG:  132.6952   50.9322  -67.2159 ]
 
# END of job
