
#######################################################
#                                                     #
#                        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       3.48     3.48
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       1.62     3.71
  LCS_AVERAGE:     71.47

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99       1_B - 99_B        0.77     3.82
  LCS_AVERAGE:     66.05

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     99  103  123     16   53   98  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     V     2_H     V     2_B     99  103  123     34   99  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     Q     3_H     Q     3_B     99  103  123     63  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     L     4_H     L     4_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     V     5_H     V     5_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     E     6_H     E     6_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     S     7_H     S     7_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     G     8_H     G     8_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     G     9_H     G     9_B     99  103  123     62  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     G    10_H     G    10_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     L    11_H     L    11_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     V    12_H     V    12_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     Q    13_H     Q    13_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     A    14_H     A    14_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     G    15_H     G    15_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     G    16_H     G    16_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     S    17_H     S    17_B     99  103  123     58  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     L    18_H     L    18_B     99  103  123     32  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     R    19_H     R    19_B     99  103  123     23  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     L    20_H     L    20_B     99  103  123     56  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     S    21_H     S    21_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     C    22_H     C    22_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     A    23_H     A    23_B     99  103  123     63  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     A    24_H     A    24_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     S    25_H     S    25_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     G    26_H     G    26_B     99  103  123     24  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     F    27_H     F    27_B     99  103  123     24   99  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     I    28_H     I    28_B     99  103  123     14   95  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     F    29_H     F    29_B     99  103  123     16  100  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     H    30_H     H    30_B     99  103  123      7  100  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     N    31_H     N    31_B     99  103  123     16  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     F    32_H     F    32_B     99  103  123     26  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     D    33_H     D    33_B     99  103  123     63  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     M    34_H     M    34_B     99  103  123     62  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     G    35_H     G    35_B     99  103  123     66  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     W    36_H     W    36_B     99  103  123     28  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     Y    37_H     Y    37_B     99  103  123     66  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     R    38_H     R    38_B     99  103  123     37  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     Q    39_H     Q    39_B     99  103  123     28  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     A    40_H     A    40_B     99  103  123     61  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     P    41_H     P    41_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     G    42_H     G    42_B     99  103  123     45  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     K    43_H     K    43_B     99  103  123     17  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     E    44_H     E    44_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     R    45_H     R    45_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     E    46_H     E    46_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     F    47_H     F    47_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     V    48_H     V    48_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     A    49_H     A    49_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     A    50_H     A    50_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     I    51_H     I    51_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     S    52_H     S    52_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     D    53_H     D    53_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     N    54_H     N    54_B     99  103  123     63  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     G    55_H     G    55_B     99  103  123     50  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     R    56_H     R    56_B     99  103  123      7  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     S    57_H     S    57_B     99  103  123     52  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     T    58_H     T    58_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     Y    59_H     Y    59_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     Y    60_H     Y    60_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     A    61_H     A    61_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     D    62_H     D    62_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     S    63_H     S    63_B     99  103  123     63  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     V    64_H     V    64_B     99  103  123     63  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     K    65_H     K    65_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     G    66_H     G    66_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     R    67_H     R    67_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     F    68_H     F    68_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     T    69_H     T    69_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     I    70_H     I    70_B     99  103  123     52  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     S    71_H     S    71_B     99  103  123     52  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     R    72_H     R    72_B     99  103  123     53  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     D    73_H     D    73_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     N    74_H     N    74_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     A    75_H     A    75_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     K    76_H     K    76_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     N    77_H     N    77_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     T    78_H     T    78_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     V    79_H     V    79_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     Y    80_H     Y    80_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     L    81_H     L    81_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     Q    82_H     Q    82_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     M    83_H     M    83_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     N    84_H     N    84_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     S    85_H     S    85_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     L    86_H     L    86_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     K    87_H     K    87_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     P    88_H     P    88_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     E    89_H     E    89_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     D    90_H     D    90_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     T    91_H     T    91_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     A    92_H     A    92_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     V    93_H     V    93_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     Y    94_H     Y    94_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     Y    95_H     Y    95_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     C    96_H     C    96_B     99  103  123     59  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     A    97_H     A    97_B     99  103  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     V    98_H     V    98_B     99  103  123     14   95  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     A    99_H     A    99_B     99  103  123      3    4   13   40   90  110  111  112  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     W   100_H     W   100_B      4  103  123      3    4    4    6   13   15   45   64  101  111  114  115  117  117  117  118  118  119  122  122 
LCS_GDT     L   101_H     L   101_B      4  103  123      3    4    5   24   67   95  111  112  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     S   102_H     S   102_B      5  103  123      4    4   35   76  105  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     I   103_H     I   103_B      5  103  123      4    4    5    5    6    7   10   73   89  110  115  116  117  117  117  118  118  119  122  122 
LCS_GDT     P   104_H     P   104_B      5    6  123      4    4    5    6    6   14   16   27   33   42   52   69   79   87   99  106  107  119  122  122 
LCS_GDT     D   105_H     D   105_B      5    6  123      4    4    5    5    6    7   10   11   13   17   20   34   45   58   66   72   86  102  110  117 
LCS_GDT     L   106_H     L   106_B      5    6  123      3    3    5    5    6   11   19   28   36   47   60   71   83   87   99  106  116  119  122  122 
LCS_GDT     A   107_H     A   107_B      3    4  123      3    3    4    4    5    9   10   12   23   34   48   60   72   81   99  106  107  116  122  122 
LCS_GDT     E   108_H     E   108_B      3    4  123      3    3    4    4   11   18   26   36   50   58   69   86  106  116  117  118  118  119  122  122 
LCS_GDT     W   109_H     W   109_B      3    4  123      3    3   18   33   53   78  101  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     Y   110_H     Y   110_B      3    4  123      3    3    4    6    7   57   87  108  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     D   111_H     D   111_B      3   13  123      3   13   29   51   84  106  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     Y   112_H     Y   112_B     12   13  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     W   113_H     W   113_B     12   13  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     G   114_H     G   114_B     12   13  123     44  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     Q   115_H     Q   115_B     12   13  123     19   65  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     G   116_H     G   116_B     12   13  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     T   117_H     T   117_B     12   13  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     Q   118_H     Q   118_B     12   13  123     18  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     V   119_H     V   119_B     12   13  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     T   120_H     T   120_B     12   13  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     V   121_H     V   121_B     12   13  123     67  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     S   122_H     S   122_B     12   13  123     62  101  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_GDT     S   123_H     S   123_B     12   13  123      7   70  108  110  110  111  112  113  114  114  116  116  117  117  117  118  118  119  122  122 
LCS_AVERAGE  LCS_A:  79.17  (  66.05   71.47  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    101    108    110    110    111    112    113    114    114    116    116    117    117    117    118    118    119    122    122 
GDT PERCENT_AT  54.47  82.11  87.80  89.43  89.43  90.24  91.06  91.87  92.68  92.68  94.31  94.31  95.12  95.12  95.12  95.93  95.93  96.75  99.19  99.19
GDT RMS_LOCAL    0.36   0.51   0.61   0.68   0.68   0.79   0.97   1.22   1.17   1.17   1.54   1.54   1.68   1.68   1.68   1.90   1.90   2.22   3.12   3.12
GDT RMS_ALL_AT   3.81   3.83   3.84   3.81   3.81   3.78   3.75   3.70   3.74   3.74   3.66   3.66   3.67   3.67   3.67   3.62   3.62   3.57   3.49   3.49

# Checking swapping
#   possible swapping detected:  E     6_H      E     6_B
#   possible swapping detected:  F    29_H      F    29_B
#   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:  Y    95_H      Y    95_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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_H      Q     1_B     2.248     0    0.629   1.227     7.183   73.452   51.323
LGA    V     2_H      V     2_B     0.762     0    0.079   0.142     1.612   88.214   84.082
LGA    Q     3_H      Q     3_B     0.163     0    0.051   0.894     2.890  100.000   86.190
LGA    L     4_H      L     4_B     0.380     0    0.052   0.188     0.652   97.619   97.619
LGA    V     5_H      V     5_B     0.414     0    0.055   0.073     0.694   95.238   95.918
LGA    E     6_H      E     6_B     0.613     0    0.076   0.701     3.161   92.857   82.222
LGA    S     7_H      S     7_B     0.512     0    0.050   0.105     0.630   90.476   92.063
LGA    G     8_H      G     8_B     0.585     0    0.111   0.111     0.685   92.857   92.857
LGA    G     9_H      G     9_B     0.527     0    0.111   0.111     1.158   92.976   92.976
LGA    G    10_H      G    10_B     0.437     0    0.153   0.153     0.755   95.238   95.238
LGA    L    11_H      L    11_B     0.252     0    0.076   0.659     1.482  100.000   95.357
LGA    V    12_H      V    12_B     0.172     0    0.084   0.945     2.361   97.619   89.728
LGA    Q    13_H      Q    13_B     0.376     0    0.036   0.832     3.093  100.000   89.206
LGA    A    14_H      A    14_B     0.273     0    0.025   0.027     0.338  100.000  100.000
LGA    G    15_H      G    15_B     0.440     0    0.139   0.139     0.794   97.619   97.619
LGA    G    16_H      G    16_B     0.606     0    0.062   0.062     0.606   95.238   95.238
LGA    S    17_H      S    17_B     0.613     0    0.068   0.187     0.826   92.857   92.063
LGA    L    18_H      L    18_B     0.718     0    0.028   0.860     3.899   90.476   81.250
LGA    R    19_H      R    19_B     0.883     0    0.037   1.775     7.812   90.476   65.238
LGA    L    20_H      L    20_B     0.617     0    0.059   0.243     0.920   95.238   92.857
LGA    S    21_H      S    21_B     0.267     0    0.143   0.368     1.530   95.357   92.381
LGA    C    22_H      C    22_B     0.216     0    0.038   0.098     0.574  100.000   98.413
LGA    A    23_H      A    23_B     0.363     0    0.022   0.034     0.665  100.000   98.095
LGA    A    24_H      A    24_B     0.400     0    0.031   0.039     0.709  100.000   98.095
LGA    S    25_H      S    25_B     0.588     0    0.058   0.222     1.208   92.857   90.556
LGA    G    26_H      G    26_B     1.585     0    0.064   0.064     1.713   75.000   75.000
LGA    F    27_H      F    27_B     1.723     0    0.018   1.331     7.610   72.857   49.177
LGA    I    28_H      I    28_B     2.074     0    0.610   0.700     4.388   59.881   57.917
LGA    F    29_H      F    29_B     1.019     0    0.174   1.202     7.935   88.214   53.030
LGA    H    30_H      H    30_B     1.218     0    0.113   1.195     5.697   81.429   60.143
LGA    N    31_H      N    31_B     0.724     0    0.093   1.163     3.591   88.214   77.917
LGA    F    32_H      F    32_B     0.940     0    0.136   0.520     1.843   85.952   81.602
LGA    D    33_H      D    33_B     1.004     0    0.065   0.308     1.288   83.690   83.690
LGA    M    34_H      M    34_B     0.761     0    0.017   0.267     1.204   92.857   89.405
LGA    G    35_H      G    35_B     0.603     0    0.077   0.077     0.633   95.238   95.238
LGA    W    36_H      W    36_B     0.788     0    0.068   0.209     0.835   90.476   91.837
LGA    Y    37_H      Y    37_B     0.747     0    0.049   0.293     2.215   90.476   80.992
LGA    R    38_H      R    38_B     0.715     0    0.063   0.579     1.551   90.476   90.606
LGA    Q    39_H      Q    39_B     0.898     0    0.082   0.405     1.528   90.476   87.513
LGA    A    40_H      A    40_B     0.821     0    0.080   0.110     0.909   90.476   90.476
LGA    P    41_H      P    41_B     0.719     0    0.100   0.386     1.896   90.476   87.959
LGA    G    42_H      G    42_B     1.292     0    0.174   0.174     1.585   79.286   79.286
LGA    K    43_H      K    43_B     1.268     0    0.065   0.436     1.917   81.429   80.529
LGA    E    44_H      E    44_B     0.625     0    0.064   1.170     5.123   90.476   72.381
LGA    R    45_H      R    45_B     0.678     0    0.085   1.227     5.128   90.476   71.126
LGA    E    46_H      E    46_B     0.588     0    0.080   0.747     2.765   90.476   80.899
LGA    F    47_H      F    47_B     0.524     0    0.056   0.144     1.185   97.619   90.606
LGA    V    48_H      V    48_B     0.393     0    0.040   0.077     0.508   97.619   98.639
LGA    A    49_H      A    49_B     0.497     0    0.041   0.044     0.733   97.619   96.190
LGA    A    50_H      A    50_B     0.714     0    0.111   0.155     1.334   92.857   90.571
LGA    I    51_H      I    51_B     0.260     0    0.075   0.436     0.906   97.619   96.429
LGA    S    52_H      S    52_B     0.555     0    0.097   0.088     0.661   97.619   95.238
LGA    D    53_H      D    53_B     0.406     0    0.086   0.195     0.860   95.238   94.048
LGA    N    54_H      N    54_B     0.591     0    0.361   1.081     5.411   86.429   70.060
LGA    G    55_H      G    55_B     0.665     0    0.040   0.040     1.006   88.214   88.214
LGA    R    56_H      R    56_B     1.359     0    0.023   1.122     4.664   85.952   62.987
LGA    S    57_H      S    57_B     0.533     0    0.076   0.563     1.559   97.619   92.302
LGA    T    58_H      T    58_B     0.326     0    0.087   0.271     0.603   97.619   95.918
LGA    Y    59_H      Y    59_B     0.557     0    0.031   1.301     9.803   97.619   54.008
LGA    Y    60_H      Y    60_B     0.602     0    0.027   0.077     0.769   90.476   93.651
LGA    A    61_H      A    61_B     0.606     0    0.068   0.075     0.646   90.476   90.476
LGA    D    62_H      D    62_B     0.652     0    0.048   0.225     0.857   90.476   91.667
LGA    S    63_H      S    63_B     0.794     0    0.103   0.570     2.609   90.476   84.921
LGA    V    64_H      V    64_B     0.687     0    0.047   0.105     0.775   90.476   91.837
LGA    K    65_H      K    65_B     0.603     0    0.020   1.109     5.974   90.476   71.852
LGA    G    66_H      G    66_B     0.669     0    0.165   0.165     1.350   88.214   88.214
LGA    R    67_H      R    67_B     0.599     0    0.090   0.517     1.173   92.857   93.117
LGA    F    68_H      F    68_B     0.099     0    0.085   0.267     1.088   97.619   95.714
LGA    T    69_H      T    69_B     0.322     0    0.063   0.088     0.555  100.000   98.639
LGA    I    70_H      I    70_B     0.497     0    0.068   0.232     0.578  100.000   97.619
LGA    S    71_H      S    71_B     0.499     0    0.052   0.220     0.793   95.238   93.651
LGA    R    72_H      R    72_B     0.489     0    0.089   0.807     5.297   95.238   69.481
LGA    D    73_H      D    73_B     0.328     0    0.070   0.245     0.882  100.000   96.429
LGA    N    74_H      N    74_B     0.389     0    0.102   1.046     2.481   92.976   85.298
LGA    A    75_H      A    75_B     0.089     0    0.062   0.073     0.389  100.000  100.000
LGA    K    76_H      K    76_B     0.265     0    0.125   0.626     1.909  100.000   94.921
LGA    N    77_H      N    77_B     0.252     0    0.101   0.456     1.734  100.000   93.095
LGA    T    78_H      T    78_B     0.250     0    0.073   1.152     2.643  100.000   88.844
LGA    V    79_H      V    79_B     0.290     0    0.036   1.022     2.251  100.000   89.932
LGA    Y    80_H      Y    80_B     0.219     0    0.018   0.235     0.659  100.000   98.413
LGA    L    81_H      L    81_B     0.126     0    0.054   0.064     0.488  100.000  100.000
LGA    Q    82_H      Q    82_B     0.464     0    0.034   0.770     2.356  100.000   89.947
LGA    M    83_H      M    83_B     0.607     0    0.042   0.719     1.715   90.476   86.012
LGA    N    84_H      N    84_B     0.546     0    0.027   0.238     0.645   95.238   94.048
LGA    S    85_H      S    85_B     0.330     0    0.048   0.642     1.977  100.000   95.476
LGA    L    86_H      L    86_B     0.317     0    0.122   0.353     1.208  100.000   97.679
LGA    K    87_H      K    87_B     0.313     0    0.039   0.886     2.249  100.000   89.048
LGA    P    88_H      P    88_B     0.479     0    0.112   0.370     1.016  100.000   95.986
LGA    E    89_H      E    89_B     0.210     0    0.040   0.618     3.362  100.000   85.556
LGA    D    90_H      D    90_B     0.341     0    0.082   0.387     1.230   97.619   95.298
LGA    T    91_H      T    91_B     0.447     0    0.323   0.379     1.874   90.833   92.041
LGA    A    92_H      A    92_B     0.546     0    0.057   0.070     0.667   92.857   92.381
LGA    V    93_H      V    93_B     0.548     0    0.038   0.112     0.697   90.476   90.476
LGA    Y    94_H      Y    94_B     0.387     0    0.017   0.131     0.606   95.238   98.413
LGA    Y    95_H      Y    95_B     0.626     0    0.067   0.187     1.429   90.476   88.214
LGA    C    96_H      C    96_B     0.860     0    0.041   0.649     1.233   90.476   87.460
LGA    A    97_H      A    97_B     0.350     0    0.097   0.140     0.911   92.857   94.286
LGA    V    98_H      V    98_B     1.738     0    0.025   0.992     4.322   63.690   59.116
LGA    A    99_H      A    99_B     4.149     0    0.078   0.083     4.673   40.714   41.238
LGA    W   100_H      W   100_B     7.656     0    0.555   0.789    15.665   13.690    3.946
LGA    L   101_H      L   101_B     5.825     0    0.448   1.209    11.580   31.310   17.679
LGA    S   102_H      S   102_B     3.772     0    0.543   0.648     8.379   29.643   34.286
LGA    I   103_H      I   103_B     9.972     0    0.148   0.198    13.370    2.619    1.310
LGA    P   104_H      P   104_B    14.946     0    0.030   0.108    17.535    0.000    0.000
LGA    D   105_H      D   105_B    19.181     0    0.646   1.353    24.917    0.000    0.000
LGA    L   106_H      L   106_B    15.003     0    0.549   1.369    16.475    0.000    0.000
LGA    A   107_H      A   107_B    15.839     0    0.422   0.394    17.218    0.000    0.000
LGA    E   108_H      E   108_B    13.246     0    0.340   0.663    20.593    0.000    0.000
LGA    W   109_H      W   109_B     7.719     0    0.475   0.995    17.622    6.190    2.109
LGA    Y   110_H      Y   110_B     7.776     0    0.634   1.182    17.189    9.405    3.532
LGA    D   111_H      D   111_B     5.670     0    0.109   0.518     9.545   32.976   19.464
LGA    Y   112_H      Y   112_B     0.508     0    0.581   1.191     3.801   88.810   70.714
LGA    W   113_H      W   113_B     0.498     0    0.048   0.285     1.380   95.238   87.959
LGA    G   114_H      G   114_B     0.816     0    0.073   0.073     1.167   85.952   85.952
LGA    Q   115_H      Q   115_B     1.849     0    0.611   1.337     5.783   64.048   55.767
LGA    G   116_H      G   116_B     0.372     0    0.036   0.036     0.882   95.238   95.238
LGA    T   117_H      T   117_B     0.550     0    0.116   1.099     2.651   92.857   84.558
LGA    Q   118_H      Q   118_B     0.729     0    0.110   1.092     2.982   90.476   81.058
LGA    V   119_H      V   119_B     0.239     0    0.080   0.182     0.755   97.619   97.279
LGA    T   120_H      T   120_B     0.418     0    0.140   0.284     1.213   97.619   94.626
LGA    V   121_H      V   121_B     0.470     0    0.031   0.237     1.069   92.857   90.544
LGA    S   122_H      S   122_B     0.785     0    0.069   0.585     2.349   83.810   83.333
LGA    S   123_H      S   123_B     1.671     0    0.595   0.904     5.227   71.071   58.968

# 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):     3.484          3.431                  4.395           83.838   78.515

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  123    4.0    113    1.22    89.837    85.931     8.587

LGA_LOCAL      RMSD:   1.216  Number of atoms:  113  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.695  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.484  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.584356 * X  +  -0.097447 * Y  +  -0.805625 * Z  +  29.516447
  Y_new =   0.807555 * X  +  -0.027903 * Y  +   0.589131 * Z  + -36.325302
  Z_new =  -0.079888 * X  +  -0.994850 * Y  +   0.062388 * Z  + -17.377853 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.944399  0.079973 -1.508167   [DEG:   54.1101    4.5821  -86.4116 ]
ZXZ: -2.202204  1.508367 -3.061463   [DEG: -126.1770   86.4231 -175.4089 ]
 
# END of job
