
#######################################################
#                                                     #
#                        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       2.66     2.66
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104       1_B - 104_B       1.96     2.74
  LCS_AVERAGE:     73.19

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100       1_B - 100_B       0.98     2.88
  LCS_AVERAGE:     67.40

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  104  123     71  104  108  110  111  112  112  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     V     2_H     V     2_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     Q     3_H     Q     3_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     L     4_H     L     4_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     V     5_H     V     5_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     E     6_H     E     6_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     S     7_H     S     7_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     G     8_H     G     8_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     G     9_H     G     9_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     G    10_H     G    10_B    100  104  123     69  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     L    11_H     L    11_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     V    12_H     V    12_B    100  104  123     70  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     Q    13_H     Q    13_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     A    14_H     A    14_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     G    15_H     G    15_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     G    16_H     G    16_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     S    17_H     S    17_B    100  104  123     75  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     L    18_H     L    18_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     R    19_H     R    19_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     L    20_H     L    20_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     S    21_H     S    21_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     C    22_H     C    22_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     A    23_H     A    23_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     A    24_H     A    24_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     S    25_H     S    25_B    100  104  123     76  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     G    26_H     G    26_B    100  104  123     69  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     F    27_H     F    27_B    100  104  123      5   90  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     I    28_H     I    28_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     F    29_H     F    29_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     H    30_H     H    30_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     N    31_H     N    31_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     F    32_H     F    32_B    100  104  123     76  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     D    33_H     D    33_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     M    34_H     M    34_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     G    35_H     G    35_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     W    36_H     W    36_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     Y    37_H     Y    37_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     R    38_H     R    38_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     Q    39_H     Q    39_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     A    40_H     A    40_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     P    41_H     P    41_B    100  104  123     14  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     G    42_H     G    42_B    100  104  123     31  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     K    43_H     K    43_B    100  104  123     68  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     E    44_H     E    44_B    100  104  123     17   90  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     R    45_H     R    45_B    100  104  123      5  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     E    46_H     E    46_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     F    47_H     F    47_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     V    48_H     V    48_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     A    49_H     A    49_B    100  104  123     29  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     A    50_H     A    50_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     I    51_H     I    51_B    100  104  123     24  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     S    52_H     S    52_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     D    53_H     D    53_B    100  104  123     70  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     N    54_H     N    54_B    100  104  123     72  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     G    55_H     G    55_B    100  104  123     15  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     R    56_H     R    56_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     S    57_H     S    57_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     T    58_H     T    58_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     Y    59_H     Y    59_B    100  104  123     71  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     Y    60_H     Y    60_B    100  104  123     62  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     A    61_H     A    61_B    100  104  123     71  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     D    62_H     D    62_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     S    63_H     S    63_B    100  104  123      5    6  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     V    64_H     V    64_B    100  104  123      5   83  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     K    65_H     K    65_B    100  104  123     68  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     G    66_H     G    66_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     R    67_H     R    67_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     F    68_H     F    68_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     T    69_H     T    69_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     I    70_H     I    70_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     S    71_H     S    71_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     R    72_H     R    72_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     D    73_H     D    73_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     N    74_H     N    74_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     A    75_H     A    75_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     K    76_H     K    76_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     N    77_H     N    77_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     T    78_H     T    78_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     V    79_H     V    79_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     Y    80_H     Y    80_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     L    81_H     L    81_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     Q    82_H     Q    82_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     M    83_H     M    83_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     N    84_H     N    84_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     S    85_H     S    85_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     L    86_H     L    86_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     K    87_H     K    87_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     P    88_H     P    88_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     E    89_H     E    89_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     D    90_H     D    90_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     T    91_H     T    91_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     A    92_H     A    92_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     V    93_H     V    93_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     Y    94_H     Y    94_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     Y    95_H     Y    95_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     C    96_H     C    96_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     A    97_H     A    97_B    100  104  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     V    98_H     V    98_B    100  104  123     30  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     A    99_H     A    99_B    100  104  123      3    5    5   39  107  112  112  113  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     W   100_H     W   100_B    100  104  123      3    5    5    5   17   19   56   79  105  113  116  117  117  119  121  121  121  121  123  123 
LCS_GDT     L   101_H     L   101_B      5  104  123      3    6   58   96  111  112  112  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     S   102_H     S   102_B      5  104  123      3    4   36   69   99  111  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     I   103_H     I   103_B      4  104  123      3    4    5    5   34   47   56   66   90   97  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     P   104_H     P   104_B      4  104  123      3    4    4    4    6    7   10   15   23   32   40   60   84  103  119  120  122  122  123  123 
LCS_GDT     D   105_H     D   105_B      5    8  123      4    5    7    8    8    9   11   14   19   24   33   43   66   78  100  120  122  122  123  123 
LCS_GDT     L   106_H     L   106_B      5    8  123      4    5    7    8   17   39   50   72  104  111  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     A   107_H     A   107_B      5    8  123      4    5    7    8    8   16   31   51   80  101  108  118  119  120  121  121  122  122  123  123 
LCS_GDT     E   108_H     E   108_B      5    8  123      4    5    7    8    8    9   11   14   30   65   92  110  118  120  121  121  122  122  123  123 
LCS_GDT     W   109_H     W   109_B      5   15  123      4    7   11   42   75  110  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     Y   110_H     Y   110_B      5   15  123      4    4    5   20   30   42  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     D   111_H     D   111_B      5   15  123      4    4   13   26   33   47  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     Y   112_H     Y   112_B     12   15  123     72  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     W   113_H     W   113_B     12   15  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     G   114_H     G   114_B     12   15  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     Q   115_H     Q   115_B     12   15  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     G   116_H     G   116_B     12   15  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     T   117_H     T   117_B     12   15  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     Q   118_H     Q   118_B     12   15  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     V   119_H     V   119_B     12   15  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     T   120_H     T   120_B     12   15  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     V   121_H     V   121_B     12   15  123     77  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     S   122_H     S   122_B     12   15  123     75  104  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_GDT     S   123_H     S   123_B     12   15  123      8   76  108  110  111  112  113  115  116  116  117  118  119  120  121  121  122  122  123  123 
LCS_AVERAGE  LCS_A:  80.20  (  67.40   73.19  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     77    104    108    110    111    112    113    115    116    116    117    118    119    120    121    121    122    122    123    123 
GDT PERCENT_AT  62.60  84.55  87.80  89.43  90.24  91.06  91.87  93.50  94.31  94.31  95.12  95.93  96.75  97.56  98.37  98.37  99.19  99.19 100.00 100.00
GDT RMS_LOCAL    0.34   0.46   0.52   0.57   0.69   0.76   1.14   1.20   1.24   1.24   1.44   1.64   1.85   2.05   2.15   2.15   2.58   2.58   2.66   2.66
GDT RMS_ALL_AT   2.83   2.85   2.85   2.85   2.84   2.85   2.75   2.75   2.76   2.76   2.73   2.71   2.69   2.67   2.68   2.68   2.67   2.67   2.66   2.66

# Checking swapping
#   possible swapping detected:  E    44_H      E    44_B
#   possible swapping detected:  E    46_H      E    46_B
#   possible swapping detected:  Y    59_H      Y    59_B
#   possible swapping detected:  Y    60_H      Y    60_B
#   possible swapping detected:  Y    80_H      Y    80_B
#   possible swapping detected:  E    89_H      E    89_B
#   possible swapping detected:  Y    95_H      Y    95_B
#   possible swapping detected:  E   108_H      E   108_B
#   possible swapping detected:  Y   110_H      Y   110_B
#   possible swapping detected:  D   111_H      D   111_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     1.030     0    0.068   1.354     6.200   83.690   63.862
LGA    V     2_H      V     2_B     0.853     0    0.091   0.165     0.964   90.476   90.476
LGA    Q     3_H      Q     3_B     0.453     0    0.057   1.204     4.072   97.619   80.265
LGA    L     4_H      L     4_B     0.622     0    0.139   0.160     1.101   88.214   94.107
LGA    V     5_H      V     5_B     0.498     0    0.099   0.115     0.919   92.857   93.197
LGA    E     6_H      E     6_B     0.387     0    0.159   0.382     1.237   97.619   90.635
LGA    S     7_H      S     7_B     0.491     0    0.034   0.086     0.561   97.619   96.825
LGA    G     8_H      G     8_B     0.543     0    0.059   0.059     0.742   92.857   92.857
LGA    G     9_H      G     9_B     0.157     0    0.035   0.035     1.368   92.976   92.976
LGA    G    10_H      G    10_B     0.898     0    0.194   0.194     0.898   92.857   92.857
LGA    L    11_H      L    11_B     0.236     0    0.042   0.629     2.429   97.619   90.893
LGA    V    12_H      V    12_B     0.447     0    0.060   0.231     0.795   97.619   95.918
LGA    Q    13_H      Q    13_B     0.424     0    0.038   0.682     3.901  100.000   75.291
LGA    A    14_H      A    14_B     0.370     0    0.025   0.028     0.614  100.000   98.095
LGA    G    15_H      G    15_B     0.339     0    0.232   0.232     1.160   95.357   95.357
LGA    G    16_H      G    16_B     0.152     0    0.048   0.048     0.427  100.000  100.000
LGA    S    17_H      S    17_B     0.522     0    0.079   0.203     0.816   95.238   93.651
LGA    L    18_H      L    18_B     0.229     0    0.096   0.475     1.899  100.000   90.893
LGA    R    19_H      R    19_B     0.495     0    0.047   1.986     7.864  100.000   67.532
LGA    L    20_H      L    20_B     0.345     0    0.056   0.251     0.710   97.619   96.429
LGA    S    21_H      S    21_B     0.117     0    0.037   0.250     0.908  100.000   98.413
LGA    C    22_H      C    22_B     0.149     0    0.036   0.209     1.042  100.000   96.905
LGA    A    23_H      A    23_B     0.182     0    0.043   0.042     0.740   97.619   96.190
LGA    A    24_H      A    24_B     0.552     0    0.023   0.031     0.712   95.238   94.286
LGA    S    25_H      S    25_B     0.834     0    0.029   0.209     1.235   90.476   88.968
LGA    G    26_H      G    26_B     1.173     0    0.073   0.073     1.173   83.690   83.690
LGA    F    27_H      F    27_B     1.404     0    0.094   1.385     4.203   85.952   75.065
LGA    I    28_H      I    28_B     0.811     0    0.178   1.231     4.229   92.976   75.833
LGA    F    29_H      F    29_B     0.481     0    0.697   0.702     3.639   78.810   86.234
LGA    H    30_H      H    30_B     0.711     0    0.211   0.923     2.298   90.476   82.667
LGA    N    31_H      N    31_B     0.586     0    0.126   0.425     1.837   83.810   86.131
LGA    F    32_H      F    32_B     0.911     0    0.068   0.385     1.752   88.214   85.628
LGA    D    33_H      D    33_B     0.867     0    0.093   0.364     1.209   88.214   88.214
LGA    M    34_H      M    34_B     0.308     0    0.046   0.221     0.500  100.000  100.000
LGA    G    35_H      G    35_B     0.340     0    0.052   0.052     0.340  100.000  100.000
LGA    W    36_H      W    36_B     0.469     0    0.054   0.130     1.250   92.857   89.252
LGA    Y    37_H      Y    37_B     0.523     0    0.039   0.523     2.012   95.238   86.944
LGA    R    38_H      R    38_B     0.280     0    0.020   1.031     2.936  100.000   91.905
LGA    Q    39_H      Q    39_B     0.683     0    0.039   0.593     2.922   90.476   84.762
LGA    A    40_H      A    40_B     0.711     0    0.084   0.108     0.942   92.857   92.381
LGA    P    41_H      P    41_B     1.125     0    0.088   0.380     2.680   83.690   78.027
LGA    G    42_H      G    42_B     1.264     0    0.262   0.262     1.658   79.286   79.286
LGA    K    43_H      K    43_B     1.106     0    0.066   0.430     3.100   85.952   75.503
LGA    E    44_H      E    44_B     1.228     0    0.104   1.176     6.627   83.690   59.312
LGA    R    45_H      R    45_B     1.001     0    0.056   1.280     4.625   85.952   71.169
LGA    E    46_H      E    46_B     0.627     0    0.035   0.353     1.286   90.476   89.471
LGA    F    47_H      F    47_B     0.667     0    0.020   0.207     2.243   95.238   82.684
LGA    V    48_H      V    48_B     0.387     0    0.027   0.078     0.457  100.000  100.000
LGA    A    49_H      A    49_B     0.887     0    0.030   0.057     1.165   90.476   88.667
LGA    A    50_H      A    50_B     0.767     0    0.148   0.206     1.356   90.476   88.667
LGA    I    51_H      I    51_B     0.923     0    0.055   0.435     1.026   90.476   89.345
LGA    S    52_H      S    52_B     0.720     0    0.047   0.070     0.894   90.476   90.476
LGA    D    53_H      D    53_B     0.474     0    0.105   1.025     3.759   95.238   82.560
LGA    N    54_H      N    54_B     0.306     0    0.284   1.188     4.573   92.976   80.119
LGA    G    55_H      G    55_B     1.180     0    0.496   0.496     1.180   88.214   88.214
LGA    R    56_H      R    56_B     0.400     0    0.104   0.752     1.539   92.857   89.827
LGA    S    57_H      S    57_B     0.394     0    0.053   0.176     0.446  100.000  100.000
LGA    T    58_H      T    58_B     0.331     0    0.063   0.283     0.974  100.000   98.639
LGA    Y    59_H      Y    59_B     0.825     0    0.052   1.264     9.852   90.476   50.476
LGA    Y    60_H      Y    60_B     0.883     0    0.078   0.104     1.035   90.476   89.722
LGA    A    61_H      A    61_B     0.759     0    0.047   0.043     1.038   90.476   88.667
LGA    D    62_H      D    62_B     0.628     0    0.115   0.223     2.120   90.595   83.929
LGA    S    63_H      S    63_B     1.717     0    0.207   0.570     4.573   77.143   66.190
LGA    V    64_H      V    64_B     1.615     0    0.133   0.183     2.827   81.548   73.265
LGA    K    65_H      K    65_B     0.610     0    0.051   0.841     5.809   95.238   77.778
LGA    G    66_H      G    66_B     0.417     0    0.202   0.202     1.213   92.976   92.976
LGA    R    67_H      R    67_B     0.458     0    0.101   1.199     4.217   95.238   85.801
LGA    F    68_H      F    68_B     0.315     0    0.068   0.145     0.765   97.619   94.805
LGA    T    69_H      T    69_B     0.362     0    0.036   0.036     0.705  100.000   95.918
LGA    I    70_H      I    70_B     0.335     0    0.046   0.182     0.659   97.619   98.810
LGA    S    71_H      S    71_B     0.489     0    0.035   0.202     1.194  100.000   95.317
LGA    R    72_H      R    72_B     0.160     0    0.016   0.628     2.258   97.619   86.320
LGA    D    73_H      D    73_B     0.340     0    0.045   0.331     1.295  100.000   95.298
LGA    N    74_H      N    74_B     0.370     0    0.083   1.070     2.366   97.619   87.619
LGA    A    75_H      A    75_B     0.289     0    0.111   0.123     0.529   97.619   96.190
LGA    K    76_H      K    76_B     0.117     0    0.092   0.931     3.699  100.000   83.810
LGA    N    77_H      N    77_B     0.419     0    0.088   0.481     2.064  100.000   89.762
LGA    T    78_H      T    78_B     0.422     0    0.012   0.966     2.387  100.000   91.088
LGA    V    79_H      V    79_B     0.472     0    0.038   0.065     1.059   97.619   93.265
LGA    Y    80_H      Y    80_B     0.456     0    0.044   0.217     0.876   97.619   95.238
LGA    L    81_H      L    81_B     0.333     0    0.038   0.074     0.343  100.000  100.000
LGA    Q    82_H      Q    82_B     0.164     0    0.044   0.878     2.526  100.000   89.101
LGA    M    83_H      M    83_B     0.470     0    0.037   0.834     2.503   97.619   88.750
LGA    N    84_H      N    84_B     0.495     0    0.025   0.214     0.962  100.000   95.238
LGA    S    85_H      S    85_B     0.502     0    0.043   0.637     1.634   95.238   90.714
LGA    L    86_H      L    86_B     0.084     0    0.054   0.171     0.717  100.000   98.810
LGA    K    87_H      K    87_B     0.281     0    0.027   0.858     2.627  100.000   86.296
LGA    P    88_H      P    88_B     0.385     0    0.152   0.377     1.063   97.619   95.986
LGA    E    89_H      E    89_B     0.592     0    0.041   0.683     1.651   92.857   87.566
LGA    D    90_H      D    90_B     0.347     0    0.025   0.415     1.035  100.000   96.488
LGA    T    91_H      T    91_B     0.238     0    0.039   0.166     0.543  100.000   98.639
LGA    A    92_H      A    92_B     0.262     0    0.063   0.059     0.447  100.000  100.000
LGA    V    93_H      V    93_B     0.503     0    0.015   0.116     0.617   90.476   93.197
LGA    Y    94_H      Y    94_B     0.296     0    0.046   0.164     0.538   97.619   98.413
LGA    Y    95_H      Y    95_B     0.481     0    0.104   0.206     1.077   95.238   91.310
LGA    C    96_H      C    96_B     0.493     0    0.113   0.157     0.830   95.238   93.651
LGA    A    97_H      A    97_B     0.133     0    0.057   0.075     0.782   95.238   94.286
LGA    V    98_H      V    98_B     1.400     0    0.013   1.144     4.788   71.667   65.102
LGA    A    99_H      A    99_B     3.749     0    0.076   0.081     4.286   45.238   46.190
LGA    W   100_H      W   100_B     7.433     0    0.051   0.168    14.569   13.571    3.912
LGA    L   101_H      L   101_B     4.012     0    0.627   0.688     6.488   44.405   41.429
LGA    S   102_H      S   102_B     4.657     0    0.499   0.807     8.425   24.881   26.190
LGA    I   103_H      I   103_B     8.817     0    0.167   1.170    10.554    4.881    5.714
LGA    P   104_H      P   104_B    13.139     0    0.622   0.567    14.589    0.000    0.000
LGA    D   105_H      D   105_B    13.217     0    0.635   1.247    18.384    0.119    0.060
LGA    L   106_H      L   106_B     7.934     0    0.142   0.128    10.218    8.929    7.798
LGA    A   107_H      A   107_B     9.910     0    0.063   0.069    11.999    0.476    0.381
LGA    E   108_H      E   108_B    10.362     0    0.414   0.555    17.994    5.119    2.275
LGA    W   109_H      W   109_B     4.228     0    0.098   1.197     6.575   47.262   54.660
LGA    Y   110_H      Y   110_B     5.372     0    0.053   1.379     8.583   27.738   15.675
LGA    D   111_H      D   111_B     5.905     0    0.254   1.318     9.794   32.381   18.214
LGA    Y   112_H      Y   112_B     0.470     0    0.600   1.147     9.737   91.190   48.175
LGA    W   113_H      W   113_B     0.364     0    0.028   1.395     9.611   97.619   46.905
LGA    G   114_H      G   114_B     0.323     0    0.017   0.017     0.375  100.000  100.000
LGA    Q   115_H      Q   115_B     0.425     0    0.014   1.157     4.487  100.000   81.376
LGA    G   116_H      G   116_B     0.142     0    0.031   0.031     0.427  100.000  100.000
LGA    T   117_H      T   117_B     0.198     0    0.113   1.045     2.352   97.619   88.571
LGA    Q   118_H      Q   118_B     0.555     0    0.076   1.248     4.555   97.619   80.370
LGA    V   119_H      V   119_B     0.218     0    0.022   0.147     0.756  100.000   98.639
LGA    T   120_H      T   120_B     0.325     0    0.128   0.272     0.875   97.619   97.279
LGA    V   121_H      V   121_B     0.430     0    0.021   0.254     1.199   97.619   93.265
LGA    S   122_H      S   122_B     0.448     0    0.050   0.730     2.132   95.238   89.365
LGA    S   123_H      S   123_B     1.583     0    0.575   0.788     3.577   61.905   65.873

# 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):     2.664          2.542                  3.447           86.182   80.453

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  123    4.0    115    1.20    91.463    87.325     8.839

LGA_LOCAL      RMSD:   1.201  Number of atoms:  115  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.748  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   2.664  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.304694 * X  +  -0.930923 * Y  +  -0.201356 * Z  +  18.495728
  Y_new =   0.601222 * X  +   0.351953 * Y  +  -0.717399 * Z  +   8.860482
  Z_new =   0.738711 * X  +   0.097528 * Y  +   0.666929 * Z  + -17.997646 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.101730 -0.831156  0.145205   [DEG:   63.1245  -47.6217    8.3196 ]
ZXZ: -0.273634  0.840717  1.439531   [DEG:  -15.6781   48.1695   82.4791 ]
 
# END of job
