
#######################################################
#                                                     #
#                        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       1.20     1.20
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127       2_C - 138_C       1.20     1.20
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    60      73_C - 134_C       1.00     1.33
  LCS_AVERAGE:     46.31

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     12   25   67  111  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   28  106  118  124  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     44   88  107  118  124  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     44   88  107  118  124  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     44   88  107  118  124  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     44   88  107  118  124  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     44   88  107  118  124  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     34   88  107  118  124  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     44   88  107  118  124  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     44   88  107  118  124  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     44   88  107  118  124  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     44   88  107  118  124  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     44   88  107  118  124  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     44   88  107  118  124  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     44   88  107  118  124  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     44   88  107  118  124  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     28   88  107  118  124  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     17   81  107  118  124  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     42   88  107  118  124  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     34   88  107  118  124  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     34   88  107  118  124  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     34   88  107  118  124  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     28   75  105  116  124  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      9   63  104  116  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    26_B     K    26_C     59  127  127      9   57   96  116  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    27_B     E    27_C     59  127  127      3    5   84  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    34_B     K    34_C     59  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    35_B     E    35_C     59  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    36_B     K    36_C     59  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    37_B     L    37_C     59  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    38_B     E    38_C     59  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    39_B     E    39_C     59  127  127     38   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    40_B     V    40_C     59  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    41_B     I    41_C     59  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    42_B     E    42_C     59  127  127     31   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    43_B     G    43_C     59  127  127     34   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    44_B     L    44_C     59  127  127     32   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    45_B     E    45_C     59  127  127     31   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    46_B     R    46_C     59  127  127     12   82  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    47_B     L    47_C     59  127  127      8   74  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    48_B     K    48_C     59  127  127     22   66  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    49_B     E    49_C     59  127  127     22   68  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    50_B     E    50_C     59  127  127     22   70  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    51_B     V    51_C     59  127  127     22   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    52_B     D    52_C     59  127  127     36   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    55_B     Q    55_C     59  127  127     38   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    56_B     L    56_C     59  127  127     28   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    57_B     N    57_C     59  127  127     22   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    58_B     M    58_C     59  127  127     31   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    59_B     N    59_C     59  127  127     28   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    60_B     L    60_C     59  127  127     43   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    61_B     I    61_C     59  127  127     43   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    62_B     V    62_C     59  127  127     17   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    63_B     F    63_C     59  127  127     17   82  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    64_B     E    64_C     59  127  127     17   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    65_B     G    65_C     59  127  127     17   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    66_B     L    66_C     59  127  127     37   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    67_B     E    67_C     59  127  127     30   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    68_B     V    68_C     59  127  127     11   75  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    69_B     D    69_C     59  127  127      4   49  101  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    70_B     E    70_C     30  127  127      4    8   40   81  120  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    71_B     E    71_C     45  127  127      3   48   85  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    72_B     G    72_C     59  127  127      3   42  104  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    73_B     R    73_C     60  127  127      6   72  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    74_B     V    74_C     60  127  127      9   73  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W    75_B     W    75_C     60  127  127     42   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    76_B     F    76_C     60  127  127     42   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    77_B     I    77_C     60  127  127     17   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    78_B     V    78_C     60  127  127     43   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    79_B     K    79_C     60  127  127     43   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    80_B     E    80_C     60  127  127      4   79  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    81_B     M    81_C     60  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    82_B     L    82_C     60  127  127     34   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H    83_B     H    83_C     60  127  127     34   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    84_B     A    84_C     60  127  127     12   63  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    85_B     T    85_C     60  127  127      7   31   99  117  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    86_B     T    86_C     60  127  127     10   31   99  117  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    87_B     E    87_C     60  127  127      7   45   82  117  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    88_B     E    88_C     60  127  127     12   76  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    89_B     E    89_C     60  127  127     17   76  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    90_B     A    90_C     60  127  127     22   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    91_B     L    91_C     60  127  127     37   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    92_B     E    92_C     60  127  127     34   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    93_B     N    93_C     60  127  127     38   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    94_B     M    94_C     60  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    95_B     D    95_C     60  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    96_B     K    96_C     60  127  127     38   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    97_B     F    97_C     60  127  127     38   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    98_B     L    98_C     60  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    99_B     E    99_C     60  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   100_B     S   100_C     60  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   101_B     W   101_C     60  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   102_B     E   102_C     60  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   103_B     K   103_C     60  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   104_B     V   104_C     60  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   105_B     F   105_C     60  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   106_B     K   106_C     60  127  127     40   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   107_B     E   107_C     60  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   108_B     L   108_C     60  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   109_B     L   109_C     60  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   110_B     E   110_C     60  127  127     41   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   111_B     Y   111_C     60  127  127     37   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   112_B     H   112_C     60  127  127     34   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   113_B     F   113_C     60  127  127     19   85  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   114_B     E   114_C     60  127  127     11   75  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   115_B     H   115_C     60  127  127      4    8  100  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N   116_B     N   116_C     60  127  127      4   16   79  113  123  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   119_B     S   119_C     60  127  127      9   56  101  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   120_B     P   120_C     60  127  127     28   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   121_B     T   121_C     60  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   122_B     F   122_C     60  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   123_B     D   123_C     60  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   124_B     F   124_C     60  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   125_B     F   125_C     60  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   126_B     L   126_C     60  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   127_B     D   127_C     60  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   128_B     F   128_C     60  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   129_B     L   129_C     60  127  127     42   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   130_B     W   130_C     60  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   131_B     W   131_C     60  127  127     44   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   132_B     Q   132_C     60  127  127     28   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   133_B     L   133_C     60  127  127     27   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   134_B     Y   134_C     60  127  127     25   88  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   135_B     G   135_C     49  127  127     12   32  104  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   136_B     E   136_C     49  127  127      5   32  104  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   137_B     P   137_C     49  127  127      4   74  106  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M   138_B     M   138_C     49  127  127      4   81  106  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_AVERAGE  LCS_A:  82.10  (  46.31  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     44     88    107    118    124    127    127    127    127    127    127    127    127    127    127    127    127    127    127    127 
GDT PERCENT_AT  34.65  69.29  84.25  92.91  97.64 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.38   0.62   0.83   0.99   1.09   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20
GDT RMS_ALL_AT   1.31   1.25   1.21   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20

# 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    20_B      E    20_C
#   possible swapping detected:  Y    21_B      Y    21_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    64_B      E    64_C
#   possible swapping detected:  E    70_B      E    70_C
#   possible swapping detected:  E    71_B      E    71_C
#   possible swapping detected:  F    76_B      F    76_C
#   possible swapping detected:  E    89_B      E    89_C
#   possible swapping detected:  E    92_B      E    92_C
#   possible swapping detected:  F    97_B      F    97_C
#   possible swapping detected:  E   102_B      E   102_C
#   possible swapping detected:  F   105_B      F   105_C
#   possible swapping detected:  E   107_B      E   107_C
#   possible swapping detected:  E   110_B      E   110_C
#   possible swapping detected:  Y   111_B      Y   111_C
#   possible swapping detected:  F   113_B      F   113_C
#   possible swapping detected:  E   114_B      E   114_C
#   possible swapping detected:  F   125_B      F   125_C
#   possible swapping detected:  F   128_B      F   128_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     2_B      P     2_C     3.086     0    0.575   0.564     5.750   55.357   42.925
LGA    I     3_B      I     3_C     1.824     0    0.079   0.594     3.209   75.119   69.107
LGA    Q     4_B      Q     4_C     0.602     0    0.043   1.069     5.661   90.476   70.529
LGA    E     5_B      E     5_C     0.700     0    0.011   0.122     0.888   90.476   90.476
LGA    E     6_B      E     6_C     0.776     0    0.031   0.890     3.611   90.476   79.524
LGA    I     7_B      I     7_C     0.587     0    0.035   0.159     0.992   90.476   90.476
LGA    Q     8_B      Q     8_C     0.512     0    0.013   0.854     2.102   90.476   85.661
LGA    K     9_B      K     9_C     0.752     0    0.039   1.390     9.198   90.476   61.376
LGA    K    10_B      K    10_C     0.774     0    0.085   0.869     2.425   90.476   85.608
LGA    V    11_B      V    11_C     0.587     0    0.060   0.086     1.088   95.238   91.905
LGA    R    12_B      R    12_C     0.273     0    0.118   1.404     4.144  100.000   79.264
LGA    E    13_B      E    13_C     0.457     0    0.122   0.297     1.562   97.619   89.683
LGA    L    14_B      L    14_C     0.555     0    0.107   0.097     1.364   97.619   90.655
LGA    L    15_B      L    15_C     0.633     0    0.048   0.087     0.888   90.476   90.476
LGA    E    16_B      E    16_C     0.476     0    0.112   0.325     0.846   92.857   93.651
LGA    K    17_B      K    17_C     0.540     0    0.059   0.229     1.505   90.476   88.571
LGA    L    18_B      L    18_C     0.984     0    0.082   0.169     1.350   85.952   85.952
LGA    I    19_B      I    19_C     1.467     0    0.015   0.688     1.994   81.429   77.143
LGA    E    20_B      E    20_C     1.088     0    0.005   0.879     3.956   83.690   75.503
LGA    Y    21_B      Y    21_C     0.901     0    0.042   0.922     6.809   85.952   58.452
LGA    L    22_B      L    22_C     1.187     0    0.023   0.042     1.477   81.429   82.560
LGA    E    23_B      E    23_C     1.307     0    0.064   0.952     4.699   77.143   67.989
LGA    E    24_B      E    24_C     1.893     0    0.019   1.022     5.715   68.810   55.873
LGA    L    25_B      L    25_C     2.132     0    0.131   1.341     4.907   68.810   58.929
LGA    K    26_B      K    26_C     2.285     0    0.620   0.651     4.194   57.857   52.910
LGA    E    27_B      E    27_C     1.778     0    0.599   1.045     7.065   66.905   47.566
LGA    K    34_B      K    34_C     1.138     0    0.289   0.744     2.295   79.524   75.926
LGA    E    35_B      E    35_C     1.133     0    0.056   1.301     5.317   83.690   63.386
LGA    K    36_B      K    36_C     1.020     0    0.021   1.551    10.406   85.952   54.974
LGA    L    37_B      L    37_C     0.869     0    0.022   0.147     1.402   90.476   87.083
LGA    E    38_B      E    38_C     0.640     0    0.095   0.182     1.524   92.857   87.566
LGA    E    39_B      E    39_C     0.610     0    0.029   0.798     3.465   90.476   78.624
LGA    V    40_B      V    40_C     0.595     0    0.026   0.062     1.088   95.238   91.905
LGA    I    41_B      I    41_C     0.142     0    0.053   0.102     0.618  100.000   98.810
LGA    E    42_B      E    42_C     0.499     0    0.101   0.100     0.890  100.000   94.709
LGA    G    43_B      G    43_C     0.371     0    0.037   0.037     0.447  100.000  100.000
LGA    L    44_B      L    44_C     0.491     0    0.043   1.224     3.803   95.238   79.048
LGA    E    45_B      E    45_C     0.670     0    0.116   0.949     3.709   92.857   76.931
LGA    R    46_B      R    46_C     1.059     0    0.057   0.998     3.630   81.548   74.113
LGA    L    47_B      L    47_C     1.191     0    0.070   1.113     2.817   83.690   77.500
LGA    K    48_B      K    48_C     1.327     0    0.015   0.780     2.650   77.143   73.175
LGA    E    49_B      E    49_C     1.435     0    0.136   0.683     3.685   77.143   65.608
LGA    E    50_B      E    50_C     1.370     0    0.018   1.036     2.875   81.429   73.175
LGA    V    51_B      V    51_C     1.053     0    0.146   0.180     1.328   83.690   85.306
LGA    D    52_B      D    52_C     0.897     0    0.036   0.366     2.584   81.667   75.357
LGA    Q    55_B      Q    55_C     0.844     0    0.014   0.936     2.807   88.214   78.942
LGA    L    56_B      L    56_C     0.802     0    0.070   0.437     2.692   95.238   84.226
LGA    N    57_B      N    57_C     0.758     0    0.081   0.125     1.638   92.857   86.071
LGA    M    58_B      M    58_C     0.690     0    0.129   1.045     2.471   88.214   82.798
LGA    N    59_B      N    59_C     0.763     0    0.045   0.180     0.990   90.476   90.476
LGA    L    60_B      L    60_C     0.193     0    0.099   0.167     0.778   97.619   97.619
LGA    I    61_B      I    61_C     0.674     0    0.072   0.102     0.867   90.476   90.476
LGA    V    62_B      V    62_C     0.942     0    0.022   0.118     1.126   90.476   89.184
LGA    F    63_B      F    63_C     1.178     0    0.049   0.243     1.925   81.429   79.091
LGA    E    64_B      E    64_C     0.955     0    0.000   0.962     3.737   88.214   76.032
LGA    G    65_B      G    65_C     0.798     0    0.031   0.031     0.876   90.476   90.476
LGA    L    66_B      L    66_C     0.593     0    0.061   0.098     0.727   90.476   90.476
LGA    E    67_B      E    67_C     0.529     0    0.037   0.918     2.251   88.333   81.746
LGA    V    68_B      V    68_C     1.370     0    0.038   0.047     2.298   75.119   72.993
LGA    D    69_B      D    69_C     2.222     0    0.074   1.044     5.596   61.190   54.881
LGA    E    70_B      E    70_C     3.691     0    0.029   0.792     7.222   46.667   33.280
LGA    E    71_B      E    71_C     2.261     0    0.706   0.596     4.256   57.857   66.190
LGA    G    72_B      G    72_C     1.839     0    0.130   0.130     2.138   70.833   70.833
LGA    R    73_B      R    73_C     1.315     0    0.036   1.008     4.453   81.429   68.788
LGA    V    74_B      V    74_C     1.209     0    0.102   1.031     3.147   81.429   76.939
LGA    W    75_B      W    75_C     0.790     0    0.101   0.114     1.099   88.214   87.891
LGA    F    76_B      F    76_C     0.812     0    0.064   0.302     1.240   88.214   88.009
LGA    I    77_B      I    77_C     1.008     0    0.102   0.666     3.441   85.952   79.762
LGA    V    78_B      V    78_C     0.654     0    0.072   0.123     0.863   90.476   90.476
LGA    K    79_B      K    79_C     0.758     0    0.100   0.548     3.105   83.810   76.508
LGA    E    80_B      E    80_C     1.474     0    0.100   0.796     6.035   88.333   56.614
LGA    M    81_B      M    81_C     0.636     0    0.003   1.043     5.805   95.238   72.143
LGA    L    82_B      L    82_C     0.818     0    0.214   0.252     2.072   84.167   83.929
LGA    H    83_B      H    83_C     0.881     0    0.105   0.268     1.643   85.952   82.429
LGA    A    84_B      A    84_C     1.851     0    0.091   0.120     2.026   70.952   71.333
LGA    T    85_B      T    85_C     2.591     0    0.185   0.208     3.328   62.857   59.388
LGA    T    86_B      T    86_C     2.518     0    0.056   0.960     3.690   62.857   59.524
LGA    E    87_B      E    87_C     2.443     0    0.066   1.032     3.788   66.905   60.000
LGA    E    88_B      E    88_C     1.682     0    0.039   0.939     5.279   77.143   57.460
LGA    E    89_B      E    89_C     1.428     0    0.043   0.247     3.256   81.548   70.635
LGA    A    90_B      A    90_C     1.035     0    0.056   0.057     1.340   85.952   85.048
LGA    L    91_B      L    91_C     0.642     0    0.028   0.842     3.065   95.238   86.667
LGA    E    92_B      E    92_C     0.649     0    0.041   0.299     1.351   90.476   86.455
LGA    N    93_B      N    93_C     0.557     0    0.012   1.058     3.067   95.238   86.667
LGA    M    94_B      M    94_C     0.224     0    0.027   0.113     0.804  100.000   97.619
LGA    D    95_B      D    95_C     0.197     0    0.038   0.169     0.757  100.000   97.619
LGA    K    96_B      K    96_C     0.584     0    0.018   1.241     6.803   92.857   71.799
LGA    F    97_B      F    97_C     0.497     0    0.040   0.062     0.617   97.619   93.074
LGA    L    98_B      L    98_C     0.096     0    0.043   0.137     0.656  100.000   97.619
LGA    E    99_B      E    99_C     0.170     0    0.016   0.902     3.209  100.000   79.365
LGA    S   100_B      S   100_C     0.326     0    0.050   0.079     0.392  100.000  100.000
LGA    W   101_B      W   101_C     0.253     0    0.031   0.240     0.845  100.000   96.599
LGA    E   102_B      E   102_C     0.201     0    0.039   0.142     0.405  100.000  100.000
LGA    K   103_B      K   103_C     0.274     0    0.018   0.707     2.052  100.000   88.995
LGA    V   104_B      V   104_C     0.165     0    0.021   0.074     0.570   97.619   95.918
LGA    F   105_B      F   105_C     0.647     0    0.006   0.212     2.033   92.857   81.818
LGA    K   106_B      K   106_C     0.677     0    0.029   1.045     6.961   95.238   68.677
LGA    E   107_B      E   107_C     0.304     0    0.051   0.504     1.635  100.000   92.804
LGA    L   108_B      L   108_C     0.608     0    0.006   0.104     0.805   92.857   91.667
LGA    L   109_B      L   109_C     0.522     0    0.016   0.103     1.665   95.238   88.393
LGA    E   110_B      E   110_C     0.282     0    0.035   0.132     0.785  100.000   98.942
LGA    Y   111_B      Y   111_C     0.229     0    0.070   0.101     1.360   97.619   92.937
LGA    H   112_B      H   112_C     0.350     0    0.021   1.095     3.071   97.619   84.238
LGA    F   113_B      F   113_C     1.047     0    0.117   0.923     4.714   83.690   64.545
LGA    E   114_B      E   114_C     1.517     0    0.149   0.399     1.883   75.000   76.667
LGA    H   115_B      H   115_C     2.303     0    0.145   1.160     6.726   64.762   47.905
LGA    N   116_B      N   116_C     3.035     0    0.098   0.855     4.105   50.119   49.345
LGA    S   119_B      S   119_C     2.157     0    0.041   0.637     3.410   65.119   67.778
LGA    P   120_B      P   120_C     0.708     0    0.133   0.222     2.027   92.976   84.422
LGA    T   121_B      T   121_C     0.421     0    0.042   0.099     0.947  100.000   97.279
LGA    F   122_B      F   122_C     0.503     0    0.031   0.338     1.928   92.857   85.714
LGA    D   123_B      D   123_C     0.914     0    0.103   0.193     1.982   90.476   82.738
LGA    F   124_B      F   124_C     0.778     0    0.050   0.098     1.089   90.476   87.186
LGA    F   125_B      F   125_C     0.717     0    0.015   0.093     1.240   90.476   87.186
LGA    L   126_B      L   126_C     0.661     0    0.030   0.218     1.053   90.476   89.345
LGA    D   127_B      D   127_C     0.933     0    0.044   0.187     1.723   90.476   83.810
LGA    F   128_B      F   128_C     0.683     0    0.046   0.473     1.921   90.476   84.848
LGA    L   129_B      L   129_C     0.665     0    0.009   0.158     0.799   90.476   91.667
LGA    W   130_B      W   130_C     0.781     0    0.054   0.171     1.822   88.214   84.082
LGA    W   131_B      W   131_C     0.851     0    0.044   0.196     1.317   88.214   87.245
LGA    Q   132_B      Q   132_C     0.850     0    0.080   0.684     2.389   90.476   85.608
LGA    L   133_B      L   133_C     0.858     0    0.109   0.157     1.181   88.214   88.214
LGA    Y   134_B      Y   134_C     1.131     0    0.068   0.279     1.368   81.429   85.952
LGA    G   135_B      G   135_C     1.918     0    0.025   0.025     2.010   70.833   70.833
LGA    E   136_B      E   136_C     1.904     0    0.012   0.741     2.888   72.857   69.312
LGA    P   137_B      P   137_C     1.576     0    0.553   0.796     3.948   65.476   68.639
LGA    M   138_B      M   138_C     1.281     0    0.657   1.169     6.318   67.738   49.226

# 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):     1.198          1.253                  1.948           85.953   79.260

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  147  127    4.0    127    1.20    90.551    95.749     9.781

LGA_LOCAL      RMSD:   1.198  Number of atoms:  127  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.198  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:   1.198  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.927981 * X  +  -0.133260 * Y  +  -0.347983 * Z  +  24.507166
  Y_new =   0.260164 * X  +   0.900274 * Y  +   0.349030 * Z  +  -3.283650
  Z_new =   0.266768 * X  +  -0.414426 * Y  +   0.870107 * Z  +  70.212738 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.273337 -0.270038 -0.444503   [DEG:   15.6611  -15.4720  -25.4681 ]
ZXZ: -2.357697  0.515377  2.569655   [DEG: -135.0861   29.5289  147.2304 ]
 
# END of job
