
#######################################################
#                                                     #
#                        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       1.42     1.42
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127       2_C - 138_C       1.42     1.42
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49      88_C - 138_C       0.94     1.54
  LCS_AVERAGE:     34.59

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     46  127  127      4    5   81   98  110  119  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I     3_B     I     3_C     46  127  127      4   67   98  111  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q     4_B     Q     4_C     46  127  127     26   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E     5_B     E     5_C     46  127  127     30   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E     6_B     E     6_C     46  127  127     30   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I     7_B     I     7_C     46  127  127     26   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q     8_B     Q     8_C     46  127  127     26   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K     9_B     K     9_C     46  127  127     26   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    10_B     K    10_C     46  127  127     26   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    11_B     V    11_C     46  127  127     26   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    12_B     R    12_C     46  127  127     26   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    13_B     E    13_C     46  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    14_B     L    14_C     46  127  127     26   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    15_B     L    15_C     46  127  127     26   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    16_B     E    16_C     46  127  127     26   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    17_B     K    17_C     46  127  127     30   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    18_B     L    18_C     46  127  127     23   72  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    19_B     I    19_C     46  127  127     16   53   99  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    20_B     E    20_C     46  127  127     16   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    21_B     Y    21_C     46  127  127     26   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    22_B     L    22_C     46  127  127     26   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    23_B     E    23_C     46  127  127     26   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    24_B     E    24_C     46  127  127     26   69   99  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    25_B     L    25_C     46  127  127     25   66   99  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    26_B     K    26_C     46  127  127      3   53   99  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    27_B     E    27_C     46  127  127      3    5   73  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    34_B     K    34_C     46  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    35_B     E    35_C     46  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    36_B     K    36_C     46  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    37_B     L    37_C     46  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    38_B     E    38_C     46  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    39_B     E    39_C     46  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    40_B     V    40_C     46  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    41_B     I    41_C     46  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    42_B     E    42_C     46  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    43_B     G    43_C     46  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    44_B     L    44_C     46  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    45_B     E    45_C     46  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    46_B     R    46_C     46  127  127     10   65  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    47_B     L    47_C     46  127  127      3   50  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    48_B     K    48_C     46  127  127     10   72  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    49_B     E    49_C     46  127  127     12   78  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    50_B     E    50_C     46  127  127     14   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    51_B     V    51_C     46  127  127     20   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    52_B     D    52_C     46  127  127      3   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    55_B     Q    55_C     46  127  127      3    5   57  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    56_B     L    56_C     46  127  127      6   22   49   84  119  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    57_B     N    57_C     13  127  127      4   27   60  109  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    58_B     M    58_C     13  127  127      6   18   48   97  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    59_B     N    59_C     13  127  127     10   44   98  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    60_B     L    60_C     13  127  127     14   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    61_B     I    61_C     21  127  127     18   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    62_B     V    62_C     21  127  127     12   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    63_B     F    63_C     21  127  127     12   74  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    64_B     E    64_C     21  127  127      8   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    65_B     G    65_C     21  127  127     13   78  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    66_B     L    66_C     21  127  127     15   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    67_B     E    67_C     21  127  127     18   78  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    68_B     V    68_C     21  127  127      7   55   98  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    69_B     D    69_C     21  127  127      9   20   77  111  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    70_B     E    70_C     21  127  127      3    6   16   65  101  122  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    71_B     E    71_C     44  127  127      3   29   91  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    72_B     G    72_C     44  127  127      3   28   87  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    73_B     R    73_C     44  127  127      9   58  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    74_B     V    74_C     44  127  127      9   61  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W    75_B     W    75_C     44  127  127     15   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    76_B     F    76_C     44  127  127     15   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    77_B     I    77_C     44  127  127     13   78  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    78_B     V    78_C     44  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    79_B     K    79_C     44  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    80_B     E    80_C     44  127  127      3   70  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    81_B     M    81_C     44  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    82_B     L    82_C     44  127  127     16   69  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H    83_B     H    83_C     44  127  127     14   46   98  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    84_B     A    84_C     44  127  127      7   31   82  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    85_B     T    85_C     44  127  127      7   18   55  103  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    86_B     T    86_C     46  127  127     10   37   69  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    87_B     E    87_C     48  127  127      7   41   82  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    88_B     E    88_C     49  127  127     15   63  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    89_B     E    89_C     49  127  127     15   63  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    90_B     A    90_C     49  127  127     15   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    91_B     L    91_C     49  127  127     25   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    92_B     E    92_C     49  127  127     25   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    93_B     N    93_C     49  127  127     25   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    94_B     M    94_C     49  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    95_B     D    95_C     49  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    96_B     K    96_C     49  127  127     26   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    97_B     F    97_C     49  127  127     29   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    98_B     L    98_C     49  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    99_B     E    99_C     49  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   100_B     S   100_C     49  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   101_B     W   101_C     49  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   102_B     E   102_C     49  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   103_B     K   103_C     49  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   104_B     V   104_C     49  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   105_B     F   105_C     49  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   106_B     K   106_C     49  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   107_B     E   107_C     49  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   108_B     L   108_C     49  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   109_B     L   109_C     49  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   110_B     E   110_C     49  127  127     25   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   111_B     Y   111_C     49  127  127     25   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   112_B     H   112_C     49  127  127     25   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   113_B     F   113_C     49  127  127     11   66  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   114_B     E   114_C     49  127  127      5   56   96  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   115_B     H   115_C     49  127  127      4   18   70  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N   116_B     N   116_C     49  127  127      4    9   35  105  120  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   119_B     S   119_C     49  127  127      9   48   91  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   120_B     P   120_C     49  127  127     15   60  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   121_B     T   121_C     49  127  127     20   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   122_B     F   122_C     49  127  127     21   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   123_B     D   123_C     49  127  127     10   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   124_B     F   124_C     49  127  127     20   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   125_B     F   125_C     49  127  127     19   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   126_B     L   126_C     49  127  127     11   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   127_B     D   127_C     49  127  127     20   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   128_B     F   128_C     49  127  127     20   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   129_B     L   129_C     49  127  127     17   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   130_B     W   130_C     49  127  127     19   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   131_B     W   131_C     49  127  127     23   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   132_B     Q   132_C     49  127  127     10   75  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   133_B     L   133_C     49  127  127     10   75  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   134_B     Y   134_C     49  127  127      6   72  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   135_B     G   135_C     49  127  127      7   52   98  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   136_B     E   136_C     49  127  127     16   78  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   137_B     P   137_C     49  127  127     31   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M   138_B     M   138_C     49  127  127     18   79  100  112  122  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_AVERAGE  LCS_A:  78.20  (  34.59  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     31     79    100    112    122    125    126    127    127    127    127    127    127    127    127    127    127    127    127    127 
GDT PERCENT_AT  24.41  62.20  78.74  88.19  96.06  98.43  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
GDT RMS_LOCAL    0.33   0.71   0.87   1.05   1.27   1.34   1.37   1.42   1.42   1.42   1.42   1.42   1.42   1.42   1.42   1.42   1.42   1.42   1.42   1.42
GDT RMS_ALL_AT   1.61   1.50   1.47   1.45   1.42   1.42   1.42   1.42   1.42   1.42   1.42   1.42   1.42   1.42   1.42   1.42   1.42   1.42   1.42   1.42

# 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:  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    50_B      E    50_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    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:  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
#   possible swapping detected:  E   136_B      E   136_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     2_B      P     2_C     3.711     0    0.573   0.559     6.332   48.333   36.259
LGA    I     3_B      I     3_C     2.198     0    0.100   0.601     2.763   66.905   65.952
LGA    Q     4_B      Q     4_C     1.242     0    0.034   1.004     6.101   81.548   62.011
LGA    E     5_B      E     5_C     1.251     0    0.010   0.174     1.428   81.429   81.429
LGA    E     6_B      E     6_C     1.248     0    0.034   0.889     4.088   81.429   71.111
LGA    I     7_B      I     7_C     1.098     0    0.048   0.088     1.213   81.429   84.821
LGA    Q     8_B      Q     8_C     1.060     0    0.011   0.712     2.086   81.429   80.635
LGA    K     9_B      K     9_C     1.191     0    0.039   1.433     9.580   83.690   55.873
LGA    K    10_B      K    10_C     1.211     0    0.082   0.886     3.126   83.690   77.037
LGA    V    11_B      V    11_C     1.188     0    0.051   0.074     1.705   85.952   82.789
LGA    R    12_B      R    12_C     0.908     0    0.104   0.351     2.130   85.952   80.823
LGA    E    13_B      E    13_C     0.783     0    0.126   0.269     1.464   88.214   88.466
LGA    L    14_B      L    14_C     0.903     0    0.117   0.101     1.330   90.476   87.083
LGA    L    15_B      L    15_C     1.158     0    0.056   0.095     1.600   83.690   80.417
LGA    E    16_B      E    16_C     0.996     0    0.103   0.277     1.402   83.690   84.444
LGA    K    17_B      K    17_C     0.946     0    0.065   0.193     1.408   85.952   89.524
LGA    L    18_B      L    18_C     1.420     0    0.082   0.097     1.700   77.143   78.214
LGA    I    19_B      I    19_C     1.795     0    0.018   0.690     2.306   72.857   69.821
LGA    E    20_B      E    20_C     1.336     0    0.011   0.995     3.130   81.429   71.534
LGA    Y    21_B      Y    21_C     1.285     0    0.042   0.894     6.846   79.286   53.294
LGA    L    22_B      L    22_C     1.358     0    0.034   0.041     1.518   79.286   81.488
LGA    E    23_B      E    23_C     1.363     0    0.055   0.994     4.816   77.143   68.571
LGA    E    24_B      E    24_C     1.958     0    0.020   1.016     6.046   68.810   53.915
LGA    L    25_B      L    25_C     2.112     0    0.124   1.336     4.957   68.810   58.095
LGA    K    26_B      K    26_C     2.062     0    0.635   0.601     4.624   59.405   52.328
LGA    E    27_B      E    27_C     1.744     0    0.600   1.048     6.972   66.905   47.937
LGA    K    34_B      K    34_C     1.099     0    0.279   0.755     2.081   79.524   77.778
LGA    E    35_B      E    35_C     1.085     0    0.059   1.330     4.866   83.690   66.138
LGA    K    36_B      K    36_C     1.121     0    0.018   1.556    10.420   81.429   52.963
LGA    L    37_B      L    37_C     1.045     0    0.033   0.136     1.305   85.952   83.690
LGA    E    38_B      E    38_C     0.886     0    0.096   0.152     1.196   90.476   85.450
LGA    E    39_B      E    39_C     0.986     0    0.018   0.807     3.103   88.214   77.407
LGA    V    40_B      V    40_C     0.742     0    0.029   0.057     1.228   90.476   89.184
LGA    I    41_B      I    41_C     0.510     0    0.061   0.105     0.706   90.476   92.857
LGA    E    42_B      E    42_C     0.934     0    0.121   0.134     1.255   90.476   86.455
LGA    G    43_B      G    43_C     0.713     0    0.060   0.060     0.754   90.476   90.476
LGA    L    44_B      L    44_C     0.575     0    0.037   1.173     4.115   90.476   75.774
LGA    E    45_B      E    45_C     0.418     0    0.114   0.995     3.474   90.595   79.312
LGA    R    46_B      R    46_C     1.554     0    0.036   0.829     2.840   72.976   67.100
LGA    L    47_B      L    47_C     1.610     0    0.119   1.071     3.212   75.000   70.060
LGA    K    48_B      K    48_C     1.319     0    0.040   0.756     2.297   81.429   77.725
LGA    E    49_B      E    49_C     1.203     0    0.131   0.665     2.919   79.286   72.222
LGA    E    50_B      E    50_C     0.851     0    0.118   0.240     0.915   90.476   90.476
LGA    V    51_B      V    51_C     1.039     0    0.124   0.140     1.469   83.690   82.721
LGA    D    52_B      D    52_C     0.674     0    0.027   0.093     1.431   90.476   88.214
LGA    Q    55_B      Q    55_C     2.428     0    0.106   0.201     5.870   50.595   43.175
LGA    L    56_B      L    56_C     3.315     0    0.126   1.472     9.228   59.167   38.214
LGA    N    57_B      N    57_C     2.657     0    0.025   0.332     3.181   53.571   61.250
LGA    M    58_B      M    58_C     2.831     0    0.187   0.588     5.891   60.952   47.262
LGA    N    59_B      N    59_C     1.804     0    0.093   0.207     2.227   75.119   69.940
LGA    L    60_B      L    60_C     0.738     0    0.057   0.115     1.101   90.595   91.726
LGA    I    61_B      I    61_C     0.601     0    0.049   0.048     0.682   90.476   90.476
LGA    V    62_B      V    62_C     0.857     0    0.017   0.112     1.133   90.476   89.184
LGA    F    63_B      F    63_C     1.180     0    0.045   0.128     1.571   79.286   79.870
LGA    E    64_B      E    64_C     1.026     0    0.000   0.950     4.025   81.429   70.794
LGA    G    65_B      G    65_C     0.905     0    0.028   0.028     0.943   90.476   90.476
LGA    L    66_B      L    66_C     0.828     0    0.051   0.092     0.923   90.476   90.476
LGA    E    67_B      E    67_C     0.650     0    0.011   0.912     2.354   85.952   79.894
LGA    V    68_B      V    68_C     1.612     0    0.039   0.048     2.648   69.048   67.211
LGA    D    69_B      D    69_C     2.660     0    0.076   1.042     5.456   57.500   51.786
LGA    E    70_B      E    70_C     4.179     0    0.024   0.797     8.572   43.452   27.725
LGA    E    71_B      E    71_C     1.946     0    0.705   0.653     3.721   59.524   71.693
LGA    G    72_B      G    72_C     2.004     0    0.122   0.122     2.207   66.786   66.786
LGA    R    73_B      R    73_C     1.323     0    0.029   0.939     4.004   81.429   69.870
LGA    V    74_B      V    74_C     1.270     0    0.121   1.056     3.206   81.429   76.939
LGA    W    75_B      W    75_C     0.882     0    0.083   0.122     1.093   88.214   84.014
LGA    F    76_B      F    76_C     0.827     0    0.055   0.131     0.959   90.476   90.476
LGA    I    77_B      I    77_C     1.001     0    0.116   0.659     3.297   85.952   79.762
LGA    V    78_B      V    78_C     0.639     0    0.066   0.120     0.776   90.476   90.476
LGA    K    79_B      K    79_C     0.567     0    0.102   0.539     2.561   88.214   85.026
LGA    E    80_B      E    80_C     1.150     0    0.069   0.947     6.867   90.595   60.370
LGA    M    81_B      M    81_C     0.266     0    0.010   0.641     4.160   92.857   77.857
LGA    L    82_B      L    82_C     1.294     0    0.189   0.230     1.995   81.548   80.417
LGA    H    83_B      H    83_C     1.826     0    0.097   0.306     2.750   68.810   64.905
LGA    A    84_B      A    84_C     2.407     0    0.049   0.062     2.679   60.952   61.714
LGA    T    85_B      T    85_C     3.348     0    0.212   0.234     4.338   53.571   49.252
LGA    T    86_B      T    86_C     2.789     0    0.052   1.031     3.931   59.048   57.347
LGA    E    87_B      E    87_C     2.291     0    0.062   1.055     4.033   69.048   60.212
LGA    E    88_B      E    88_C     1.179     0    0.051   0.974     5.168   81.548   60.317
LGA    E    89_B      E    89_C     1.302     0    0.041   0.265     3.734   85.952   71.005
LGA    A    90_B      A    90_C     0.798     0    0.046   0.048     1.063   90.476   88.667
LGA    L    91_B      L    91_C     0.225     0    0.036   0.838     3.605  100.000   87.202
LGA    E    92_B      E    92_C     0.520     0    0.037   0.309     1.517   97.619   88.677
LGA    N    93_B      N    93_C     0.450     0    0.014   1.052     2.870  100.000   89.940
LGA    M    94_B      M    94_C     0.277     0    0.024   0.138     0.760  100.000   97.619
LGA    D    95_B      D    95_C     0.393     0    0.045   0.158     1.080  100.000   95.298
LGA    K    96_B      K    96_C     0.494     0    0.016   1.272     6.817   97.619   73.915
LGA    F    97_B      F    97_C     0.337     0    0.051   0.208     1.146  100.000   93.983
LGA    L    98_B      L    98_C     0.324     0    0.053   0.147     1.133  100.000   92.976
LGA    E    99_B      E    99_C     0.460     0    0.024   0.921     3.844   97.619   75.714
LGA    S   100_B      S   100_C     0.505     0    0.064   0.102     0.605   97.619   95.238
LGA    W   101_B      W   101_C     0.226     0    0.024   1.320     5.199  100.000   74.626
LGA    E   102_B      E   102_C     0.228     0    0.041   0.105     0.671  100.000   98.942
LGA    K   103_B      K   103_C     0.309     0    0.025   0.733     2.487  100.000   87.196
LGA    V   104_B      V   104_C     0.362     0    0.043   1.126     2.422   95.238   87.211
LGA    F   105_B      F   105_C     0.569     0    0.017   0.118     1.551   92.857   86.450
LGA    K   106_B      K   106_C     0.622     0    0.028   1.074     6.659   95.238   69.471
LGA    E   107_B      E   107_C     0.349     0    0.053   0.493     1.471  100.000   93.757
LGA    L   108_B      L   108_C     0.594     0    0.007   0.092     0.704   92.857   91.667
LGA    L   109_B      L   109_C     0.586     0    0.019   0.068     1.490   95.238   89.464
LGA    E   110_B      E   110_C     0.383     0    0.042   0.142     0.907  100.000   97.884
LGA    Y   111_B      Y   111_C     0.268     0    0.066   0.089     1.339   97.619   92.143
LGA    H   112_B      H   112_C     0.277     0    0.025   0.204     1.426   97.619   93.429
LGA    F   113_B      F   113_C     1.160     0    0.112   0.962     4.418   81.548   64.805
LGA    E   114_B      E   114_C     1.755     0    0.143   0.420     2.107   72.976   72.910
LGA    H   115_B      H   115_C     2.494     0    0.150   1.165     6.860   60.952   46.381
LGA    N   116_B      N   116_C     3.078     0    0.101   0.892     4.309   50.119   48.512
LGA    S   119_B      S   119_C     1.856     0    0.098   0.175     2.956   73.214   77.460
LGA    P   120_B      P   120_C     1.084     0    0.059   0.150     2.062   85.952   80.408
LGA    T   121_B      T   121_C     0.517     0    0.040   0.152     0.703   95.238   94.558
LGA    F   122_B      F   122_C     0.633     0    0.009   0.367     1.649   92.857   86.494
LGA    D   123_B      D   123_C     1.056     0    0.105   0.172     1.878   88.214   81.607
LGA    F   124_B      F   124_C     0.834     0    0.030   0.111     0.939   90.476   90.476
LGA    F   125_B      F   125_C     0.813     0    0.024   0.296     1.795   90.476   85.628
LGA    L   126_B      L   126_C     0.879     0    0.016   0.158     0.991   90.476   90.476
LGA    D   127_B      D   127_C     1.084     0    0.055   0.185     1.762   88.214   81.607
LGA    F   128_B      F   128_C     0.936     0    0.039   0.329     2.824   90.476   75.714
LGA    L   129_B      L   129_C     1.026     0    0.027   0.167     1.213   88.214   85.952
LGA    W   130_B      W   130_C     0.746     0    0.058   0.075     0.988   90.476   90.476
LGA    W   131_B      W   131_C     0.681     0    0.049   0.175     1.129   88.214   89.830
LGA    Q   132_B      Q   132_C     1.035     0    0.119   0.441     2.295   83.690   79.630
LGA    L   133_B      L   133_C     1.145     0    0.102   0.190     1.322   81.429   84.821
LGA    Y   134_B      Y   134_C     1.589     0    0.078   0.148     1.694   75.000   81.587
LGA    G   135_B      G   135_C     1.954     0    0.032   0.032     1.954   72.857   72.857
LGA    E   136_B      E   136_C     1.526     0    0.025   0.100     3.085   77.143   67.831
LGA    P   137_B      P   137_C     1.210     0    0.555   0.812     3.832   69.762   73.537
LGA    M   138_B      M   138_C     0.857     0    0.653   1.149     6.008   72.262   52.738

# 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):     1.419          1.454                  2.139           82.625   76.343

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  147  127    4.0    127    1.42    87.598    94.202     8.361

LGA_LOCAL      RMSD:   1.419  Number of atoms:  127  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.419  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:   1.419  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.442402 * X  +  -0.734450 * Y  +   0.514650 * Z  +  24.180090
  Y_new =  -0.625385 * X  +  -0.158662 * Y  +  -0.764016 * Z  +   0.878260
  Z_new =   0.642786 * X  +  -0.659856 * Y  +  -0.389121 * Z  +  67.713135 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.186477 -0.698130 -2.103612   [DEG: -125.2759  -39.9999 -120.5281 ]
ZXZ:  0.592795  1.970474  2.369298   [DEG:   33.9646  112.8998  135.7508 ]
 
# END of job
