
#######################################################
#                                                     #
#                        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  147 ( 1260),  selected  127 , name one
# Molecule2: number of CA atoms  127 ( 1099),  selected  127 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127       2_C - 138_C       1.13     1.13
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127       2_C - 138_C       1.13     1.13
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   102      27_C - 138_C       0.99     1.19
  LCS_AVERAGE:     73.90

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  127
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     P     2_B     P     2_C     59  127  127      4   43   83  108  122  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I     3_B     I     3_C     59  127  127      4   36  105  118  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q     4_B     Q     4_C     59  127  127     29   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E     5_B     E     5_C     59  127  127     29   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E     6_B     E     6_C     59  127  127     28   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I     7_B     I     7_C     59  127  127     28   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q     8_B     Q     8_C     59  127  127     29   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K     9_B     K     9_C     59  127  127     28   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    10_B     K    10_C     59  127  127     28   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    11_B     V    11_C     59  127  127     28   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    12_B     R    12_C     59  127  127     29   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    13_B     E    13_C     59  127  127     29   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    14_B     L    14_C     59  127  127     28   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    15_B     L    15_C     59  127  127     28   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    16_B     E    16_C     59  127  127     29   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    17_B     K    17_C     59  127  127     29   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    18_B     L    18_C     59  127  127     26   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    19_B     I    19_C     59  127  127      7   69  107  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    20_B     E    20_C     59  127  127     18   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    21_B     Y    21_C     59  127  127     28   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    22_B     L    22_C     59  127  127     28   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    23_B     E    23_C     59  127  127     28   84  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    24_B     E    24_C     59  127  127     26   75  106  118  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    25_B     L    25_C     59  127  127     12   70  105  118  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    26_B     K    26_C    100  127  127      3   63  101  118  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    27_B     E    27_C    102  127  127      3    5   81  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    34_B     K    34_C    102  127  127     28   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    35_B     E    35_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    36_B     K    36_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    37_B     L    37_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    38_B     E    38_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    39_B     E    39_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    40_B     V    40_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    41_B     I    41_C    102  127  127     41   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    42_B     E    42_C    102  127  127     37   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    43_B     G    43_C    102  127  127     37   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    44_B     L    44_C    102  127  127     37   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    45_B     E    45_C    102  127  127     37   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    46_B     R    46_C    102  127  127     12   77  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    47_B     L    47_C    102  127  127      4   54  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    48_B     K    48_C    102  127  127     22   74  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    49_B     E    49_C    102  127  127     22   79  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    50_B     E    50_C    102  127  127     22   79  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    51_B     V    51_C    102  127  127     15   84  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    52_B     D    52_C    102  127  127      3   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    55_B     Q    55_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    56_B     L    56_C    102  127  127      3   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    57_B     N    57_C    102  127  127     19   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    58_B     M    58_C    102  127  127     37   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    59_B     N    59_C    102  127  127     22   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    60_B     L    60_C    102  127  127     37   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    61_B     I    61_C    102  127  127     37   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    62_B     V    62_C    102  127  127     41   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    63_B     F    63_C    102  127  127     36   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    64_B     E    64_C    102  127  127     37   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    65_B     G    65_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    66_B     L    66_C    102  127  127     41   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    67_B     E    67_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    68_B     V    68_C    102  127  127     28   78  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    69_B     D    69_C    102  127  127      6   69  100  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    70_B     E    70_C    102  127  127      4   11   68  111  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    71_B     E    71_C    102  127  127     19   77  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    72_B     G    72_C    102  127  127      3   63  105  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    73_B     R    73_C    102  127  127     18   78  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    74_B     V    74_C    102  127  127     19   80  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W    75_B     W    75_C    102  127  127     37   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    76_B     F    76_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    77_B     I    77_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    78_B     V    78_C    102  127  127     39   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    79_B     K    79_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    80_B     E    80_C    102  127  127     36   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    81_B     M    81_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    82_B     L    82_C    102  127  127     28   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H    83_B     H    83_C    102  127  127     37   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    84_B     A    84_C    102  127  127     15   66  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    85_B     T    85_C    102  127  127      6   45   93  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    86_B     T    86_C    102  127  127      6   45   99  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    87_B     E    87_C    102  127  127      6   45   99  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    88_B     E    88_C    102  127  127     10   79  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    89_B     E    89_C    102  127  127     28   79  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    90_B     A    90_C    102  127  127     37   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    91_B     L    91_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    92_B     E    92_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    93_B     N    93_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    94_B     M    94_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    95_B     D    95_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    96_B     K    96_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    97_B     F    97_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    98_B     L    98_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    99_B     E    99_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   100_B     S   100_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   101_B     W   101_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   102_B     E   102_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   103_B     K   103_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   104_B     V   104_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   105_B     F   105_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   106_B     K   106_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   107_B     E   107_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   108_B     L   108_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   109_B     L   109_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   110_B     E   110_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   111_B     Y   111_C    102  127  127     37   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   112_B     H   112_C    102  127  127     37   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   113_B     F   113_C    102  127  127     20   78  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   114_B     E   114_C    102  127  127     20   69  106  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   115_B     H   115_C    102  127  127      5   36   98  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N   116_B     N   116_C    102  127  127      4   23   98  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   119_B     S   119_C    102  127  127      4   50   98  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   120_B     P   120_C    102  127  127      9   83  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   121_B     T   121_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   122_B     F   122_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   123_B     D   123_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   124_B     F   124_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   125_B     F   125_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   126_B     L   126_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   127_B     D   127_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   128_B     F   128_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   129_B     L   129_C    102  127  127     33   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   130_B     W   130_C    102  127  127     35   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   131_B     W   131_C    102  127  127     42   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   132_B     Q   132_C    102  127  127     37   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   133_B     L   133_C    102  127  127     24   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   134_B     Y   134_C    102  127  127     30   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   135_B     G   135_C    102  127  127     29   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   136_B     E   136_C    102  127  127     28   88  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   137_B     P   137_C    102  127  127     23   75  107  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M   138_B     M   138_C    102  127  127      4   54  109  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_AVERAGE  LCS_A:  91.30  (  73.90  100.00  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     42     88    109    121    126    127    127    127    127    127    127    127    127    127    127    127    127    127    127    127 
GDT PERCENT_AT  33.07  69.29  85.83  95.28  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.64   0.83   1.01   1.10   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13
GDT RMS_ALL_AT   1.32   1.18   1.14   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13

# Checking swapping
#   possible swapping detected:  E     5_B      E     5_C
#   possible swapping detected:  E     6_B      E     6_C
#   possible swapping detected:  E    13_B      E    13_C
#   possible swapping detected:  E    16_B      E    16_C
#   possible swapping detected:  E    23_B      E    23_C
#   possible swapping detected:  E    24_B      E    24_C
#   possible swapping detected:  E    27_B      E    27_C
#   possible swapping detected:  E    38_B      E    38_C
#   possible swapping detected:  E    39_B      E    39_C
#   possible swapping detected:  E    42_B      E    42_C
#   possible swapping detected:  E    50_B      E    50_C
#   possible swapping detected:  D    52_B      D    52_C
#   possible swapping detected:  F    63_B      F    63_C
#   possible swapping detected:  E    64_B      E    64_C
#   possible swapping detected:  E    67_B      E    67_C
#   possible swapping detected:  D    69_B      D    69_C
#   possible swapping detected:  E    70_B      E    70_C
#   possible swapping detected:  E    71_B      E    71_C
#   possible swapping detected:  E    80_B      E    80_C
#   possible swapping detected:  E    89_B      E    89_C
#   possible swapping detected:  E    92_B      E    92_C
#   possible swapping detected:  D    95_B      D    95_C
#   possible swapping detected:  E    99_B      E    99_C
#   possible swapping detected:  E   102_B      E   102_C
#   possible swapping detected:  E   107_B      E   107_C
#   possible swapping detected:  E   110_B      E   110_C
#   possible swapping detected:  E   114_B      E   114_C
#   possible swapping detected:  F   122_B      F   122_C
#   possible swapping detected:  D   123_B      D   123_C
#   possible swapping detected:  F   124_B      F   124_C
#   possible swapping detected:  D   127_B      D   127_C
#   possible swapping detected:  Y   134_B      Y   134_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     2_B      P     2_C     3.177     0    0.579   0.560     5.815   55.357   42.925
LGA    I     3_B      I     3_C     1.989     0    0.065   0.588     3.416   70.833   67.976
LGA    Q     4_B      Q     4_C     0.839     0    0.038   0.986     5.782   88.214   67.090
LGA    E     5_B      E     5_C     0.985     0    0.023   0.125     1.294   90.476   85.450
LGA    E     6_B      E     6_C     0.944     0    0.013   0.876     3.337   90.476   79.259
LGA    I     7_B      I     7_C     0.732     0    0.016   0.092     0.934   90.476   90.476
LGA    Q     8_B      Q     8_C     0.809     0    0.019   0.894     2.419   90.476   85.661
LGA    K     9_B      K     9_C     0.990     0    0.011   1.335     9.275   90.476   58.995
LGA    K    10_B      K    10_C     0.923     0    0.066   0.867     2.815   90.476   83.757
LGA    V    11_B      V    11_C     0.802     0    0.073   0.098     1.244   90.476   89.184
LGA    R    12_B      R    12_C     0.625     0    0.102   1.386     4.190   90.476   72.727
LGA    E    13_B      E    13_C     0.679     0    0.115   0.218     1.314   88.214   88.466
LGA    L    14_B      L    14_C     0.685     0    0.084   0.105     1.589   92.857   86.131
LGA    L    15_B      L    15_C     0.832     0    0.063   0.098     1.032   90.476   88.214
LGA    E    16_B      E    16_C     0.780     0    0.068   0.281     1.374   90.476   89.471
LGA    K    17_B      K    17_C     0.765     0    0.025   0.138     1.189   88.214   88.466
LGA    L    18_B      L    18_C     1.210     0    0.058   0.206     1.740   83.690   81.488
LGA    I    19_B      I    19_C     1.691     0    0.033   0.673     2.160   75.000   71.905
LGA    E    20_B      E    20_C     1.306     0    0.032   0.968     3.414   81.429   70.688
LGA    Y    21_B      Y    21_C     1.134     0    0.018   0.867     6.878   81.429   55.635
LGA    L    22_B      L    22_C     1.354     0    0.004   0.045     1.555   79.286   80.357
LGA    E    23_B      E    23_C     1.418     0    0.008   0.980     4.713   77.143   67.778
LGA    E    24_B      E    24_C     2.042     0    0.047   1.054     5.885   66.786   54.074
LGA    L    25_B      L    25_C     2.204     0    0.096   0.107     2.650   64.762   63.810
LGA    K    26_B      K    26_C     2.337     0    0.627   0.618     4.161   57.857   52.910
LGA    E    27_B      E    27_C     1.869     0    0.592   0.987     7.094   68.929   47.937
LGA    K    34_B      K    34_C     1.275     0    0.276   0.706     2.202   77.262   74.021
LGA    E    35_B      E    35_C     1.313     0    0.023   1.220     4.755   81.429   65.767
LGA    K    36_B      K    36_C     1.232     0    0.000   1.480    10.325   81.429   53.228
LGA    L    37_B      L    37_C     1.157     0    0.022   0.120     1.451   83.690   82.560
LGA    E    38_B      E    38_C     0.915     0    0.032   0.063     1.719   90.476   82.593
LGA    E    39_B      E    39_C     0.834     0    0.019   0.784     3.252   90.476   79.418
LGA    V    40_B      V    40_C     0.759     0    0.024   0.049     1.035   92.857   90.544
LGA    I    41_B      I    41_C     0.421     0    0.010   0.062     0.582   97.619   97.619
LGA    E    42_B      E    42_C     0.480     0    0.076   0.165     0.750   97.619   94.709
LGA    G    43_B      G    43_C     0.455     0    0.035   0.035     0.495  100.000  100.000
LGA    L    44_B      L    44_C     0.326     0    0.041   1.208     3.897   97.619   80.238
LGA    E    45_B      E    45_C     0.262     0    0.059   0.913     3.793   95.238   78.836
LGA    R    46_B      R    46_C     1.175     0    0.022   0.909     3.178   81.548   71.126
LGA    L    47_B      L    47_C     1.511     0    0.085   1.037     2.614   75.000   73.155
LGA    K    48_B      K    48_C     1.365     0    0.029   0.780     2.424   79.286   74.868
LGA    E    49_B      E    49_C     1.408     0    0.100   0.676     3.528   79.286   67.354
LGA    E    50_B      E    50_C     1.334     0    0.121   0.768     2.734   81.429   77.778
LGA    V    51_B      V    51_C     1.189     0    0.182   0.929     2.197   79.286   75.442
LGA    D    52_B      D    52_C     0.849     0    0.032   0.195     2.157   79.643   78.452
LGA    Q    55_B      Q    55_C     0.807     0    0.021   0.845     2.134   88.214   82.646
LGA    L    56_B      L    56_C     1.101     0    0.033   0.468     3.142   90.595   79.940
LGA    N    57_B      N    57_C     0.864     0    0.064   0.196     1.878   90.476   84.881
LGA    M    58_B      M    58_C     0.655     0    0.105   1.019     2.350   90.476   84.048
LGA    N    59_B      N    59_C     0.875     0    0.050   0.207     1.058   90.476   89.345
LGA    L    60_B      L    60_C     0.398     0    0.102   0.136     0.765   95.238   95.238
LGA    I    61_B      I    61_C     0.527     0    0.029   0.037     0.531   92.857   96.429
LGA    V    62_B      V    62_C     0.514     0    0.052   0.135     0.630   95.238   95.918
LGA    F    63_B      F    63_C     0.644     0    0.044   0.172     1.471   90.476   87.186
LGA    E    64_B      E    64_C     0.469     0    0.000   0.909     3.652   95.238   80.212
LGA    G    65_B      G    65_C     0.462     0    0.035   0.035     0.462  100.000  100.000
LGA    L    66_B      L    66_C     0.601     0    0.052   1.023     3.459   90.476   77.143
LGA    E    67_B      E    67_C     0.530     0    0.027   0.213     1.245   88.214   94.762
LGA    V    68_B      V    68_C     1.274     0    0.057   0.099     1.849   79.405   77.823
LGA    D    69_B      D    69_C     1.976     0    0.035   1.081     5.293   68.810   59.286
LGA    E    70_B      E    70_C     2.902     0    0.017   0.756     6.401   59.048   43.122
LGA    E    71_B      E    71_C     1.222     0    0.697   0.654     3.175   71.429   78.995
LGA    G    72_B      G    72_C     1.944     0    0.127   0.127     2.375   70.833   70.833
LGA    R    73_B      R    73_C     1.335     0    0.065   0.890     4.099   81.429   65.238
LGA    V    74_B      V    74_C     1.100     0    0.103   1.025     3.245   79.286   73.333
LGA    W    75_B      W    75_C     0.592     0    0.019   0.066     1.240   90.476   87.245
LGA    F    76_B      F    76_C     0.379     0    0.076   0.239     0.593  100.000   98.268
LGA    I    77_B      I    77_C     0.502     0    0.087   0.106     0.590   92.857   91.667
LGA    V    78_B      V    78_C     0.428     0    0.036   0.098     0.750  100.000   98.639
LGA    K    79_B      K    79_C     0.183     0    0.081   0.574     2.999   97.619   87.302
LGA    E    80_B      E    80_C     0.652     0    0.057   0.976     6.519   97.619   66.349
LGA    M    81_B      M    81_C     0.174     0    0.026   0.859     3.130  100.000   85.000
LGA    L    82_B      L    82_C     0.853     0    0.228   0.266     1.930   83.810   83.750
LGA    H    83_B      H    83_C     0.739     0    0.098   0.323     1.512   90.476   86.905
LGA    A    84_B      A    84_C     1.521     0    0.110   0.137     1.668   75.000   76.286
LGA    T    85_B      T    85_C     2.256     0    0.235   0.255     3.017   66.786   62.721
LGA    T    86_B      T    86_C     2.099     0    0.051   0.990     3.283   68.810   66.122
LGA    E    87_B      E    87_C     1.999     0    0.070   1.062     3.339   72.976   65.926
LGA    E    88_B      E    88_C     1.370     0    0.012   0.965     4.921   81.548   60.899
LGA    E    89_B      E    89_C     1.132     0    0.044   0.299     2.975   88.333   78.042
LGA    A    90_B      A    90_C     0.647     0    0.052   0.058     0.925   95.238   94.286
LGA    L    91_B      L    91_C     0.397     0    0.013   0.863     3.221   97.619   86.726
LGA    E    92_B      E    92_C     0.455     0    0.055   0.224     1.364  100.000   91.693
LGA    N    93_B      N    93_C     0.454     0    0.013   1.094     3.044  100.000   89.048
LGA    M    94_B      M    94_C     0.137     0    0.017   0.125     0.494  100.000  100.000
LGA    D    95_B      D    95_C     0.198     0    0.055   0.106     0.455  100.000  100.000
LGA    K    96_B      K    96_C     0.547     0    0.023   1.240     6.207   92.857   73.651
LGA    F    97_B      F    97_C     0.515     0    0.006   0.131     0.902   97.619   93.074
LGA    L    98_B      L    98_C     0.156     0    0.024   0.105     0.699  100.000   97.619
LGA    E    99_B      E    99_C     0.293     0    0.038   0.143     0.791  100.000   96.825
LGA    S   100_B      S   100_C     0.409     0    0.066   0.074     0.571  100.000   96.825
LGA    W   101_B      W   101_C     0.356     0    0.046   1.329     5.163  100.000   72.381
LGA    E   102_B      E   102_C     0.383     0    0.040   0.067     0.556   97.619   98.942
LGA    K   103_B      K   103_C     0.533     0    0.025   0.767     1.881   97.619   88.730
LGA    V   104_B      V   104_C     0.170     0    0.015   0.057     0.342  100.000  100.000
LGA    F   105_B      F   105_C     0.673     0    0.024   0.095     2.200   92.857   81.039
LGA    K   106_B      K   106_C     0.980     0    0.060   0.974     7.035   90.476   63.862
LGA    E   107_B      E   107_C     0.569     0    0.039   0.522     1.315   95.238   92.646
LGA    L   108_B      L   108_C     0.419     0    0.007   0.110     0.737  100.000   95.238
LGA    L   109_B      L   109_C     0.616     0    0.000   0.091     1.760   95.238   87.321
LGA    E   110_B      E   110_C     0.667     0    0.031   0.121     1.239   90.476   89.471
LGA    Y   111_B      Y   111_C     0.514     0    0.046   0.068     0.848   92.857   92.063
LGA    H   112_B      H   112_C     0.337     0    0.013   1.116     2.817   97.619   84.952
LGA    F   113_B      F   113_C     1.171     0    0.096   0.911     4.021   83.690   66.840
LGA    E   114_B      E   114_C     1.666     0    0.176   0.349     1.904   75.000   73.810
LGA    H   115_B      H   115_C     2.113     0    0.192   1.526     6.901   66.786   47.429
LGA    N   116_B      N   116_C     2.397     0    0.087   0.803     3.751   64.762   60.179
LGA    S   119_B      S   119_C     2.120     0    0.087   0.629     3.357   65.119   67.778
LGA    P   120_B      P   120_C     1.001     0    0.103   0.181     2.061   85.952   79.252
LGA    T   121_B      T   121_C     0.220     0    0.058   0.968     2.389  100.000   91.088
LGA    F   122_B      F   122_C     0.573     0    0.023   0.389     1.864   92.857   86.494
LGA    D   123_B      D   123_C     0.843     0    0.059   0.071     1.598   90.476   84.881
LGA    F   124_B      F   124_C     0.761     0    0.041   0.077     1.681   90.476   83.203
LGA    F   125_B      F   125_C     0.854     0    0.036   0.179     1.254   90.476   87.186
LGA    L   126_B      L   126_C     0.792     0    0.041   0.192     1.013   90.476   89.345
LGA    D   127_B      D   127_C     0.882     0    0.065   0.281     1.595   90.476   84.881
LGA    F   128_B      F   128_C     0.690     0    0.031   0.310     2.244   90.476   80.952
LGA    L   129_B      L   129_C     0.809     0    0.038   0.148     0.970   90.476   90.476
LGA    W   130_B      W   130_C     0.591     0    0.037   0.054     1.151   90.476   90.578
LGA    W   131_B      W   131_C     0.278     0    0.030   0.262     1.258  100.000   93.299
LGA    Q   132_B      Q   132_C     0.275     0    0.101   0.652     2.394  100.000   90.899
LGA    L   133_B      L   133_C     0.705     0    0.075   0.160     0.962   90.476   90.476
LGA    Y   134_B      Y   134_C     0.751     0    0.067   0.330     1.057   90.476   92.103
LGA    G   135_B      G   135_C     0.974     0    0.081   0.081     1.142   88.214   88.214
LGA    E   136_B      E   136_C     1.210     0    0.017   0.743     3.136   81.429   72.328
LGA    P   137_B      P   137_C     1.636     0    0.544   0.778     3.991   67.619   68.707
LGA    M   138_B      M   138_C     1.328     0    0.649   1.100     7.041   73.214   49.048

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      127     508    508  100.00    1099   1099  100.00               127
SUMMARY(RMSD_GDC):     1.129          1.167                  1.898           87.112   80.282

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  147  127    4.0    127    1.13    91.142    96.136    10.336

LGA_LOCAL      RMSD:   1.129  Number of atoms:  127  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.129  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:   1.129  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.817633 * X  +   0.033927 * Y  +  -0.574740 * Z  +  24.409798
  Y_new =   0.142910 * X  +   0.955061 * Y  +   0.259684 * Z  +  -0.826655
  Z_new =   0.557721 * X  +  -0.294462 * Y  +   0.776040 * Z  +  68.007454 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.173038 -0.591638 -0.362659   [DEG:    9.9143  -33.8984  -20.7788 ]
ZXZ: -1.995170  0.682433  2.056572   [DEG: -114.3148   39.1005  117.8329 ]
 
# END of job
