
#######################################################
#                                                     #
#                        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       3.07     3.07
  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:     71.64

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100       1_B - 100_B       0.98     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     24  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     V     2_H     V     2_B    100  103  123     29  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     Q     3_H     Q     3_B    100  103  123     63  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     L     4_H     L     4_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     V     5_H     V     5_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     E     6_H     E     6_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     S     7_H     S     7_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     G     8_H     G     8_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     G     9_H     G     9_B    100  103  123     53  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     G    10_H     G    10_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     L    11_H     L    11_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     V    12_H     V    12_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     Q    13_H     Q    13_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     A    14_H     A    14_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     G    15_H     G    15_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     G    16_H     G    16_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     S    17_H     S    17_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     L    18_H     L    18_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     R    19_H     R    19_B    100  103  123     66  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     L    20_H     L    20_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     S    21_H     S    21_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     C    22_H     C    22_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     A    23_H     A    23_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     A    24_H     A    24_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     S    25_H     S    25_B    100  103  123     52  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     G    26_H     G    26_B    100  103  123     14   91  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     F    27_H     F    27_B    100  103  123     41  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     I    28_H     I    28_B    100  103  123     53  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     F    29_H     F    29_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     H    30_H     H    30_B    100  103  123     66  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     N    31_H     N    31_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     F    32_H     F    32_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     D    33_H     D    33_B    100  103  123     21  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     M    34_H     M    34_B    100  103  123     30  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     G    35_H     G    35_B    100  103  123     51  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     W    36_H     W    36_B    100  103  123     65  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     Y    37_H     Y    37_B    100  103  123     65  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     R    38_H     R    38_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     Q    39_H     Q    39_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     A    40_H     A    40_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     P    41_H     P    41_B    100  103  123     37  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     G    42_H     G    42_B    100  103  123     46  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     K    43_H     K    43_B    100  103  123     47  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     E    44_H     E    44_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     R    45_H     R    45_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     E    46_H     E    46_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     F    47_H     F    47_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     V    48_H     V    48_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     A    49_H     A    49_B    100  103  123     36  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     A    50_H     A    50_B    100  103  123     50  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     I    51_H     I    51_B    100  103  123     66  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     S    52_H     S    52_B    100  103  123     28  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     D    53_H     D    53_B    100  103  123     44  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     N    54_H     N    54_B    100  103  123     14   61  105  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     G    55_H     G    55_B    100  103  123      5   90  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     R    56_H     R    56_B    100  103  123      5  100  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     S    57_H     S    57_B    100  103  123     47  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     T    58_H     T    58_B    100  103  123     62  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     Y    59_H     Y    59_B    100  103  123     51  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     Y    60_H     Y    60_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     A    61_H     A    61_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     D    62_H     D    62_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     S    63_H     S    63_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     V    64_H     V    64_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     K    65_H     K    65_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     G    66_H     G    66_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     R    67_H     R    67_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     F    68_H     F    68_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     T    69_H     T    69_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     I    70_H     I    70_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     S    71_H     S    71_B    100  103  123     63  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     R    72_H     R    72_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     D    73_H     D    73_B    100  103  123     63  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     N    74_H     N    74_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     A    75_H     A    75_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     K    76_H     K    76_B    100  103  123     56  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     N    77_H     N    77_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     T    78_H     T    78_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     V    79_H     V    79_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     Y    80_H     Y    80_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     L    81_H     L    81_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     Q    82_H     Q    82_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     M    83_H     M    83_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     N    84_H     N    84_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     S    85_H     S    85_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     L    86_H     L    86_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     K    87_H     K    87_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     P    88_H     P    88_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     E    89_H     E    89_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     D    90_H     D    90_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     T    91_H     T    91_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     A    92_H     A    92_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     V    93_H     V    93_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     Y    94_H     Y    94_B    100  103  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     Y    95_H     Y    95_B    100  103  123     65  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     C    96_H     C    96_B    100  103  123     37  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     A    97_H     A    97_B    100  103  123     52  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     V    98_H     V    98_B    100  103  123     12   93  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     A    99_H     A    99_B    100  103  123      3    6   10   81  109  111  112  113  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     W   100_H     W   100_B    100  103  123      3    4    5    5   17   32   74  102  108  113  115  117  117  117  119  120  120  121  121  122 
LCS_GDT     L   101_H     L   101_B      4  103  123      3   20   79  102  109  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     S   102_H     S   102_B      4  103  123      3   17   43   64   88  106  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     I   103_H     I   103_B      4  103  123      3    3    4   14   21   30   42   53   63   73  114  117  118  119  119  120  120  121  121  122 
LCS_GDT     P   104_H     P   104_B      4    6  123      3    3    4    5    6    7    9   16   25   37   43   59   73   90  107  114  116  121  121  122 
LCS_GDT     D   105_H     D   105_B      4    6  123      3    4    4    5    6    7    8   11   15   25   25   35   53   61   70   85  101  115  121  122 
LCS_GDT     L   106_H     L   106_B      3    6  123      3    4    4   11   18   25   33   51   63   73   79   95  113  119  119  120  120  121  121  122 
LCS_GDT     A   107_H     A   107_B      3    5  123      3    3    3    4    6    7   12   24   37   49   70   87   98  103  115  120  120  121  121  122 
LCS_GDT     E   108_H     E   108_B      3    5  123      3    3    5   15   22   34   42   80   99  109  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     W   109_H     W   109_B      3    5  123      3    3    3   16   71   98  110  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     Y   110_H     Y   110_B      3   14  123      3    3    4   16   20   26   77  105  113  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     D   111_H     D   111_B      3   14  123      3   24   54   81  105  109  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     Y   112_H     Y   112_B     12   14  123      3   77  104  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     W   113_H     W   113_B     12   14  123     37  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     G   114_H     G   114_B     12   14  123     50  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     Q   115_H     Q   115_B     12   14  123     50  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     G   116_H     G   116_B     12   14  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     T   117_H     T   117_B     12   14  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     Q   118_H     Q   118_B     12   14  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     V   119_H     V   119_B     12   14  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     T   120_H     T   120_B     12   14  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     V   121_H     V   121_B     12   14  123     67  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     S   122_H     S   122_B     12   14  123     63  102  107  109  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_GDT     S   123_H     S   123_B     12   14  123      6   31   75  107  110  111  112  114  115  116  116  117  118  119  119  120  120  121  121  122 
LCS_AVERAGE  LCS_A:  79.65  (  67.30   71.64  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     67    102    107    109    110    111    112    114    115    116    116    117    118    119    119    120    120    121    121    122 
GDT PERCENT_AT  54.47  82.93  86.99  88.62  89.43  90.24  91.06  92.68  93.50  94.31  94.31  95.12  95.93  96.75  96.75  97.56  97.56  98.37  98.37  99.19
GDT RMS_LOCAL    0.34   0.54   0.61   0.65   0.70   0.80   0.84   1.19   1.23   1.39   1.39   1.52   1.87   2.13   1.97   2.37   2.22   2.45   2.45   3.00
GDT RMS_ALL_AT   3.23   3.33   3.33   3.34   3.33   3.35   3.34   3.22   3.24   3.21   3.21   3.22   3.13   3.10   3.14   3.08   3.11   3.09   3.09   3.07

# Checking swapping
#   possible swapping detected:  E    44_H      E    44_B
#   possible swapping detected:  E    46_H      E    46_B
#   possible swapping detected:  F    47_H      F    47_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     1.641     0    0.644   1.186     8.959   63.929   40.317
LGA    V     2_H      V     2_B     1.294     0    0.101   0.851     2.444   83.690   77.959
LGA    Q     3_H      Q     3_B     0.218     0    0.138   0.891     4.355   97.619   77.672
LGA    L     4_H      L     4_B     0.223     0    0.066   0.177     0.490  100.000  100.000
LGA    V     5_H      V     5_B     0.222     0    0.019   1.000     2.702  100.000   90.000
LGA    E     6_H      E     6_B     0.191     0    0.119   0.487     0.839   97.619   95.767
LGA    S     7_H      S     7_B     0.230     0    0.028   0.726     1.699   97.619   92.302
LGA    G     8_H      G     8_B     0.488     0    0.052   0.052     0.965   95.238   95.238
LGA    G     9_H      G     9_B     0.671     0    0.086   0.086     0.671   95.238   95.238
LGA    G    10_H      G    10_B     0.419     0    0.188   0.188     0.649   97.619   97.619
LGA    L    11_H      L    11_B     0.230     0    0.027   0.581     1.612  100.000   94.286
LGA    V    12_H      V    12_B     0.418     0    0.090   0.971     2.351   97.619   89.728
LGA    Q    13_H      Q    13_B     0.226     0    0.083   1.049     2.976   97.619   84.286
LGA    A    14_H      A    14_B     0.384     0    0.045   0.052     0.698  100.000   98.095
LGA    G    15_H      G    15_B     0.388     0    0.102   0.102     0.732   97.619   97.619
LGA    G    16_H      G    16_B     0.333     0    0.042   0.042     0.504   97.619   97.619
LGA    S    17_H      S    17_B     0.387     0    0.059   0.801     2.543  100.000   91.270
LGA    L    18_H      L    18_B     0.336     0    0.080   0.921     3.544  100.000   84.048
LGA    R    19_H      R    19_B     0.580     0    0.025   1.942     7.199   90.476   69.134
LGA    L    20_H      L    20_B     0.536     0    0.078   0.256     1.011   95.238   91.726
LGA    S    21_H      S    21_B     0.385     0    0.059   0.761     2.268   97.619   92.540
LGA    C    22_H      C    22_B     0.396     0    0.102   0.207     0.473  100.000  100.000
LGA    A    23_H      A    23_B     0.382     0    0.037   0.048     0.498  100.000  100.000
LGA    A    24_H      A    24_B     0.297     0    0.066   0.068     0.600  100.000   98.095
LGA    S    25_H      S    25_B     0.782     0    0.040   0.758     2.910   88.333   83.492
LGA    G    26_H      G    26_B     1.846     0    0.080   0.080     1.846   75.000   75.000
LGA    F    27_H      F    27_B     1.179     0    0.048   0.109     1.260   85.952   86.364
LGA    I    28_H      I    28_B     0.634     0    0.029   1.231     3.642   92.857   77.440
LGA    F    29_H      F    29_B     0.473     0    0.021   0.174     1.061   95.238   93.117
LGA    H    30_H      H    30_B     0.649     0    0.042   1.504     5.709   92.857   66.143
LGA    N    31_H      N    31_B     0.549     0    0.106   0.760     2.180   95.238   88.512
LGA    F    32_H      F    32_B     0.768     0    0.131   0.345     1.128   90.476   89.697
LGA    D    33_H      D    33_B     1.067     0    0.093   0.651     2.092   81.429   78.274
LGA    M    34_H      M    34_B     0.826     0    0.092   0.260     0.930   90.476   91.667
LGA    G    35_H      G    35_B     0.822     0    0.029   0.029     0.942   90.476   90.476
LGA    W    36_H      W    36_B     0.680     0    0.014   0.163     0.856   90.476   91.156
LGA    Y    37_H      Y    37_B     0.621     0    0.034   0.148     1.249   92.857   88.254
LGA    R    38_H      R    38_B     0.453     0    0.043   1.148     2.976  100.000   87.662
LGA    Q    39_H      Q    39_B     0.668     0    0.040   0.461     1.739   90.476   87.513
LGA    A    40_H      A    40_B     0.594     0    0.059   0.087     0.842   95.238   94.286
LGA    P    41_H      P    41_B     0.808     0    0.090   0.404     2.251   92.857   86.871
LGA    G    42_H      G    42_B     1.409     0    0.244   0.244     1.433   81.429   81.429
LGA    K    43_H      K    43_B     1.206     0    0.090   0.482     3.148   85.952   77.249
LGA    E    44_H      E    44_B     0.486     0    0.070   1.181     5.935   97.619   72.857
LGA    R    45_H      R    45_B     0.413     0    0.056   1.147     3.899  100.000   84.156
LGA    E    46_H      E    46_B     0.339     0    0.082   0.420     1.883   97.619   91.746
LGA    F    47_H      F    47_B     0.423     0    0.039   0.360     2.809   97.619   80.649
LGA    V    48_H      V    48_B     0.394     0    0.049   0.142     0.524   97.619   98.639
LGA    A    49_H      A    49_B     0.906     0    0.055   0.080     1.059   90.476   88.667
LGA    A    50_H      A    50_B     0.923     0    0.111   0.130     1.509   90.476   86.952
LGA    I    51_H      I    51_B     0.723     0    0.044   0.436     0.959   90.476   91.667
LGA    S    52_H      S    52_B     1.199     0    0.090   0.681     4.203   88.333   77.222
LGA    D    53_H      D    53_B     0.794     0    0.034   1.213     4.266   88.214   73.214
LGA    N    54_H      N    54_B     1.630     0    0.569   1.110     4.098   64.048   67.738
LGA    G    55_H      G    55_B     1.087     0    0.067   0.067     1.863   81.548   81.548
LGA    R    56_H      R    56_B     1.333     0    0.059   0.828     4.349   81.548   59.394
LGA    S    57_H      S    57_B     1.132     0    0.018   0.156     1.345   85.952   84.444
LGA    T    58_H      T    58_B     0.739     0    0.091   0.326     1.225   88.214   86.599
LGA    Y    59_H      Y    59_B     0.973     0    0.037   0.426     3.993   92.857   71.310
LGA    Y    60_H      Y    60_B     0.379     0    0.023   0.159     1.207   97.619   91.389
LGA    A    61_H      A    61_B     0.113     0    0.033   0.044     0.202  100.000  100.000
LGA    D    62_H      D    62_B     0.368     0    0.097   0.554     1.618   95.238   91.845
LGA    S    63_H      S    63_B     0.500     0    0.252   0.245     1.799   88.452   89.127
LGA    V    64_H      V    64_B     0.543     0    0.081   0.161     1.035   97.619   93.265
LGA    K    65_H      K    65_B     0.423     0    0.042   1.082     5.247  100.000   80.106
LGA    G    66_H      G    66_B     0.575     0    0.038   0.038     0.771   92.857   92.857
LGA    R    67_H      R    67_B     0.393     0    0.099   0.666     1.566   95.238   91.472
LGA    F    68_H      F    68_B     0.474     0    0.067   0.471     1.335  100.000   92.338
LGA    T    69_H      T    69_B     0.452     0    0.090   0.930     2.587   97.619   87.279
LGA    I    70_H      I    70_B     0.427     0    0.052   0.266     0.959  100.000   98.810
LGA    S    71_H      S    71_B     0.438     0    0.027   0.176     0.602   97.619   95.238
LGA    R    72_H      R    72_B     0.169     0    0.055   0.141     0.330  100.000  100.000
LGA    D    73_H      D    73_B     0.359     0    0.040   0.404     1.768  100.000   94.226
LGA    N    74_H      N    74_B     0.206     0    0.175   0.996     2.872   95.357   88.810
LGA    A    75_H      A    75_B     0.486     0    0.025   0.046     0.721  100.000   98.095
LGA    K    76_H      K    76_B     0.537     0    0.063   0.582     3.059   97.619   80.476
LGA    N    77_H      N    77_B     0.262     0    0.087   0.449     1.247  100.000   94.167
LGA    T    78_H      T    78_B     0.299     0    0.051   1.176     2.755  100.000   88.844
LGA    V    79_H      V    79_B     0.343     0    0.045   0.079     0.468  100.000  100.000
LGA    Y    80_H      Y    80_B     0.305     0    0.026   0.143     0.561  100.000   99.206
LGA    L    81_H      L    81_B     0.353     0    0.034   0.107     0.589  100.000   98.810
LGA    Q    82_H      Q    82_B     0.200     0    0.060   1.067     3.024  100.000   86.243
LGA    M    83_H      M    83_B     0.369     0    0.086   0.831     2.421   97.619   89.702
LGA    N    84_H      N    84_B     0.300     0    0.062   0.230     1.040  100.000   97.679
LGA    S    85_H      S    85_B     0.303     0    0.052   0.612     2.095  100.000   94.127
LGA    L    86_H      L    86_B     0.302     0    0.072   0.236     0.962  100.000   96.429
LGA    K    87_H      K    87_B     0.486     0    0.039   0.758     2.058   97.619   87.884
LGA    P    88_H      P    88_B     0.694     0    0.090   0.131     1.035   90.476   89.184
LGA    E    89_H      E    89_B     0.707     0    0.139   0.721     4.106   95.238   79.101
LGA    D    90_H      D    90_B     0.477     0    0.041   0.274     1.027   97.619   94.107
LGA    T    91_H      T    91_B     0.476     0    0.058   0.186     0.663   95.238   94.558
LGA    A    92_H      A    92_B     0.423     0    0.048   0.051     0.516   97.619   98.095
LGA    V    93_H      V    93_B     0.439     0    0.046   0.167     0.901   97.619   94.558
LGA    Y    94_H      Y    94_B     0.314     0    0.037   0.121     0.672  100.000   96.032
LGA    Y    95_H      Y    95_B     0.691     0    0.138   0.185     1.185   90.476   89.722
LGA    C    96_H      C    96_B     1.050     0    0.068   0.668     1.399   83.690   82.937
LGA    A    97_H      A    97_B     0.734     0    0.078   0.134     0.954   90.476   92.381
LGA    V    98_H      V    98_B     1.664     0    0.023   1.040     3.836   65.357   63.197
LGA    A    99_H      A    99_B     3.582     0    0.036   0.062     4.102   45.238   47.619
LGA    W   100_H      W   100_B     6.868     0    0.082   1.643    14.803   17.381    5.170
LGA    L   101_H      L   101_B     3.527     0    0.612   1.145     5.510   40.476   40.536
LGA    S   102_H      S   102_B     5.298     0    0.708   0.634     6.761   24.048   23.968
LGA    I   103_H      I   103_B     9.865     0    0.187   1.142    13.011    1.310    0.655
LGA    P   104_H      P   104_B    14.742     0    0.712   0.681    15.672    0.000    0.000
LGA    D   105_H      D   105_B    17.013     0    0.604   1.365    22.422    0.000    0.000
LGA    L   106_H      L   106_B    11.911     0    0.678   1.242    13.954    0.000    0.000
LGA    A   107_H      A   107_B    12.396     0    0.290   0.297    14.170    0.000    0.000
LGA    E   108_H      E   108_B    10.291     0    0.382   0.654    17.278    2.976    1.323
LGA    W   109_H      W   109_B     6.263     0    0.070   1.352    15.393   16.905    5.646
LGA    Y   110_H      Y   110_B     7.129     0    0.624   1.104    17.934   14.643    5.119
LGA    D   111_H      D   111_B     4.331     0    0.673   0.744     5.327   40.952   39.821
LGA    Y   112_H      Y   112_B     2.251     0    0.159   1.307     4.907   69.881   55.556
LGA    W   113_H      W   113_B     1.015     0    0.037   0.304     2.074   83.690   80.340
LGA    G   114_H      G   114_B     0.879     0    0.058   0.058     0.946   90.476   90.476
LGA    Q   115_H      Q   115_B     0.931     0    0.120   1.124     4.198   92.857   75.238
LGA    G   116_H      G   116_B     0.445     0    0.073   0.073     1.169   90.595   90.595
LGA    T   117_H      T   117_B     0.465     0    0.078   0.159     0.964  100.000   97.279
LGA    Q   118_H      Q   118_B     0.409     0    0.078   1.107     3.216  100.000   84.497
LGA    V   119_H      V   119_B     0.323     0    0.071   0.180     1.039  100.000   95.986
LGA    T   120_H      T   120_B     0.403     0    0.101   0.229     0.865   97.619   95.918
LGA    V   121_H      V   121_B     0.210     0    0.038   0.868     2.216  100.000   89.932
LGA    S   122_H      S   122_B     0.333     0    0.041   0.544     2.510   82.500   80.714
LGA    S   123_H      S   123_B     2.721     0    0.446   0.637     4.738   51.190   55.714

# 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):     3.066          3.005                  3.930           85.038   79.645

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  123    4.0    114    1.19    90.447    86.266     8.810

LGA_LOCAL      RMSD:   1.194  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.224  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.066  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.194258 * X  +  -0.806540 * Y  +   0.558352 * Z  +  39.897530
  Y_new =   0.698101 * X  +   0.513540 * Y  +   0.498931 * Z  +  -2.734099
  Z_new =  -0.689144 * X  +   0.292864 * Y  +   0.662806 * Z  +   9.103792 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.299395  0.760307  0.416060   [DEG:   74.4499   43.5624   23.8385 ]
ZXZ:  2.300052  0.846237 -1.168952   [DEG:  131.7832   48.4858  -66.9760 ]
 
# END of job
