
#######################################################
#                                                     #
#                        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       1.41     1.41
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127       2_C - 138_C       1.41     1.41
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49      88_C - 138_C       0.96     1.56
  LCS_AVERAGE:     34.76

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     47  127  127      4    5   77   99  113  122  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I     3_B     I     3_C     47  127  127     11   66   94  111  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q     4_B     Q     4_C     47  127  127     24   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E     5_B     E     5_C     47  127  127     29   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E     6_B     E     6_C     47  127  127     29   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I     7_B     I     7_C     47  127  127     25   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q     8_B     Q     8_C     47  127  127     25   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K     9_B     K     9_C     47  127  127     29   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    10_B     K    10_C     47  127  127     25   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    11_B     V    11_C     47  127  127     25   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    12_B     R    12_C     47  127  127     29   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    13_B     E    13_C     47  127  127     29   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    14_B     L    14_C     47  127  127     25   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    15_B     L    15_C     47  127  127     25   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    16_B     E    16_C     47  127  127     25   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    17_B     K    17_C     47  127  127     29   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    18_B     L    18_C     47  127  127     23   67   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    19_B     I    19_C     47  127  127     13   49   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    20_B     E    20_C     47  127  127     15   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    21_B     Y    21_C     47  127  127     25   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    22_B     L    22_C     47  127  127     25   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    23_B     E    23_C     47  127  127     25   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    24_B     E    24_C     47  127  127     25   64   99  112  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    25_B     L    25_C     47  127  127     15   58   99  111  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    26_B     K    26_C     47  127  127      3   49   99  112  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    27_B     E    27_C     47  127  127      3    5   73  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    34_B     K    34_C     47  127  127     29   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    35_B     E    35_C     47  127  127     29   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    36_B     K    36_C     47  127  127     29   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    37_B     L    37_C     47  127  127     29   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    38_B     E    38_C     47  127  127     29   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    39_B     E    39_C     47  127  127     29   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    40_B     V    40_C     47  127  127     29   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    41_B     I    41_C     47  127  127     29   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    42_B     E    42_C     47  127  127     29   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    43_B     G    43_C     47  127  127     29   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    44_B     L    44_C     47  127  127     29   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    45_B     E    45_C     47  127  127     29   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    46_B     R    46_C     47  127  127     13   65   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    47_B     L    47_C     47  127  127     13   49   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    48_B     K    48_C     47  127  127     11   69   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    49_B     E    49_C     47  127  127     11   72   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    50_B     E    50_C     47  127  127     15   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    51_B     V    51_C     47  127  127     11   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    52_B     D    52_C     47  127  127      8   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    55_B     Q    55_C     47  127  127      3    5   58  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    56_B     L    56_C     47  127  127      6   18   45   82  114  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   24   55  111  121  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      7   15   41   82  119  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   39   98  113  121  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     10   72   99  113  121  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     17   73   99  113  121  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     13   73   99  113  121  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     13   68   99  113  121  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   73   99  113  121  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   73   99  113  121  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     13   73   99  113  121  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     15   72   99  113  121  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      6   40   98  113  121  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      3   24   86  113  121  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    7   30   63  105  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    71_B     E    71_C     43  127  127      3   29   78  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    72_B     G    72_C     43  127  127      3   23   83  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    73_B     R    73_C     43  127  127      7   25   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    74_B     V    74_C     43  127  127      7   21   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W    75_B     W    75_C     43  127  127     12   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    76_B     F    76_C     43  127  127     13   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    77_B     I    77_C     43  127  127     13   69   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    78_B     V    78_C     43  127  127     18   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    79_B     K    79_C     43  127  127     18   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    80_B     E    80_C     43  127  127     13   59   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    81_B     M    81_C     43  127  127     29   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    82_B     L    82_C     43  127  127     16   64   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H    83_B     H    83_C     43  127  127     16   46   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    84_B     A    84_C     43  127  127      8   27   87  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    85_B     T    85_C     43  127  127      8   24   59  109  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    86_B     T    86_C     43  127  127     10   37   87  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    87_B     E    87_C     47  127  127     10   37   89  113  121  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   67   99  113  121  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   62   99  113  121  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   72   99  113  121  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     29   73   99  113  121  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     26   73   99  113  121  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     26   73   99  113  121  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     29   73   99  113  121  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     29   73   99  113  121  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     27   73   99  113  121  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   73   99  113  121  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     29   73   99  113  121  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     29   73   99  113  121  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     29   73   99  113  121  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     29   73   99  113  121  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     29   73   99  113  121  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     29   73   99  113  121  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     29   73   99  113  121  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     29   73   99  113  121  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     29   73   99  113  121  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     29   73   99  113  121  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     29   73   99  113  121  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     29   73   99  113  121  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     26   73   99  113  121  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     26   73   99  113  121  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     26   73   99  113  121  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   56   99  113  121  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   52   95  113  121  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   15   45  112  121  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    8   26  101  119  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   37   86  113  121  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     14   65   99  113  121  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     26   73   99  113  121  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     16   73   99  113  121  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     11   66   99  113  121  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     18   73   99  113  121  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     13   73   99  113  121  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     10   72   99  113  121  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     18   62   99  113  121  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     18   70   99  113  121  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     11   69   99  113  121  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     15   73   99  113  121  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     15   73   99  113  121  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     11   69   99  113  121  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     11   70   99  113  121  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      9   63   99  113  121  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     13   48   96  111  121  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     15   72   99  113  121  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     29   73   99  113  121  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     13   73   99  113  121  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_AVERAGE  LCS_A:  78.25  (  34.76  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     29     73     99    113    121    125    126    127    127    127    127    127    127    127    127    127    127    127    127    127 
GDT PERCENT_AT  22.83  57.48  77.95  88.98  95.28  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    0.31   0.70   0.88   1.12   1.23   1.34   1.37   1.41   1.41   1.41   1.41   1.41   1.41   1.41   1.41   1.41   1.41   1.41   1.41   1.41
GDT RMS_ALL_AT   1.61   1.50   1.48   1.42   1.42   1.42   1.42   1.41   1.41   1.41   1.41   1.41   1.41   1.41   1.41   1.41   1.41   1.41   1.41   1.41

# 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    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    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     3.404     0    0.578   0.562     5.916   51.786   40.204
LGA    I     3_B      I     3_C     2.124     0    0.082   0.595     2.824   68.810   66.905
LGA    Q     4_B      Q     4_C     1.079     0    0.032   1.005     6.166   85.952   62.487
LGA    E     5_B      E     5_C     1.080     0    0.011   0.146     1.160   81.429   81.429
LGA    E     6_B      E     6_C     1.145     0    0.038   0.884     3.968   81.429   72.646
LGA    I     7_B      I     7_C     1.063     0    0.044   0.109     1.156   81.429   83.690
LGA    Q     8_B      Q     8_C     1.014     0    0.012   0.721     2.234   83.690   79.630
LGA    K     9_B      K     9_C     1.117     0    0.038   1.417     9.382   83.690   55.979
LGA    K    10_B      K    10_C     1.168     0    0.077   0.886     3.041   83.690   77.989
LGA    V    11_B      V    11_C     1.174     0    0.058   0.078     1.739   85.952   82.789
LGA    R    12_B      R    12_C     0.853     0    0.104   0.381     2.242   88.214   81.645
LGA    E    13_B      E    13_C     0.753     0    0.122   0.263     1.368   88.214   88.466
LGA    L    14_B      L    14_C     0.891     0    0.112   0.096     1.355   90.476   87.083
LGA    L    15_B      L    15_C     1.133     0    0.056   0.093     1.552   83.690   80.417
LGA    E    16_B      E    16_C     0.998     0    0.113   0.280     1.384   83.690   84.444
LGA    K    17_B      K    17_C     0.958     0    0.069   0.172     1.444   85.952   90.582
LGA    L    18_B      L    18_C     1.413     0    0.092   0.105     1.693   77.143   78.214
LGA    I    19_B      I    19_C     1.775     0    0.018   0.689     2.263   72.857   70.833
LGA    E    20_B      E    20_C     1.303     0    0.012   0.878     3.903   81.429   73.492
LGA    Y    21_B      Y    21_C     1.238     0    0.044   0.900     7.065   79.286   53.254
LGA    L    22_B      L    22_C     1.331     0    0.026   0.124     1.490   81.429   81.429
LGA    E    23_B      E    23_C     1.317     0    0.056   0.185     1.803   77.143   81.534
LGA    E    24_B      E    24_C     1.972     0    0.025   1.023     6.111   68.810   53.915
LGA    L    25_B      L    25_C     2.141     0    0.121   0.120     2.580   68.810   65.833
LGA    K    26_B      K    26_C     2.091     0    0.632   0.615     4.705   59.405   51.693
LGA    E    27_B      E    27_C     1.831     0    0.604   1.054     7.084   68.929   47.196
LGA    K    34_B      K    34_C     1.078     0    0.269   0.753     2.073   79.524   78.677
LGA    E    35_B      E    35_C     1.074     0    0.059   1.281     4.711   83.690   66.772
LGA    K    36_B      K    36_C     1.139     0    0.018   1.542    10.472   81.429   52.963
LGA    L    37_B      L    37_C     1.006     0    0.038   0.047     1.350   85.952   84.821
LGA    E    38_B      E    38_C     0.868     0    0.095   0.134     1.185   90.476   85.450
LGA    E    39_B      E    39_C     0.965     0    0.015   0.806     3.140   90.476   79.418
LGA    V    40_B      V    40_C     0.708     0    0.034   0.058     1.169   92.857   90.544
LGA    I    41_B      I    41_C     0.427     0    0.059   0.100     0.604   92.857   96.429
LGA    E    42_B      E    42_C     0.862     0    0.088   0.145     1.331   90.476   86.455
LGA    G    43_B      G    43_C     0.626     0    0.036   0.036     0.711   90.476   90.476
LGA    L    44_B      L    44_C     0.540     0    0.036   1.181     4.109   90.476   75.774
LGA    E    45_B      E    45_C     0.404     0    0.120   1.003     3.539   92.976   80.688
LGA    R    46_B      R    46_C     1.355     0    0.039   1.187     9.212   81.548   51.212
LGA    L    47_B      L    47_C     1.432     0    0.128   1.100     3.175   81.429   74.345
LGA    K    48_B      K    48_C     1.291     0    0.043   0.750     2.377   81.429   77.725
LGA    E    49_B      E    49_C     1.197     0    0.117   0.666     3.148   81.429   69.841
LGA    E    50_B      E    50_C     0.859     0    0.107   0.280     1.085   90.476   89.471
LGA    V    51_B      V    51_C     1.063     0    0.123   0.136     1.706   85.952   82.789
LGA    D    52_B      D    52_C     0.804     0    0.031   0.086     1.380   90.476   87.083
LGA    Q    55_B      Q    55_C     2.368     0    0.124   0.205     6.305   50.595   40.794
LGA    L    56_B      L    56_C     3.400     0    0.133   1.478     9.473   59.167   36.607
LGA    N    57_B      N    57_C     2.662     0    0.017   0.373     3.324   53.571   62.321
LGA    M    58_B      M    58_C     3.014     0    0.192   0.603     6.904   59.167   43.214
LGA    N    59_B      N    59_C     1.800     0    0.090   0.211     2.267   75.119   69.940
LGA    L    60_B      L    60_C     0.768     0    0.061   0.116     1.111   90.595   89.405
LGA    I    61_B      I    61_C     0.609     0    0.055   0.060     0.695   90.476   90.476
LGA    V    62_B      V    62_C     0.905     0    0.015   0.120     1.163   90.476   89.184
LGA    F    63_B      F    63_C     1.197     0    0.039   0.135     1.526   79.286   80.649
LGA    E    64_B      E    64_C     1.111     0    0.008   0.952     4.248   81.429   69.788
LGA    G    65_B      G    65_C     1.003     0    0.028   0.028     1.090   83.690   83.690
LGA    L    66_B      L    66_C     0.953     0    0.055   0.093     1.189   90.476   85.952
LGA    E    67_B      E    67_C     0.758     0    0.006   0.905     2.572   85.952   77.090
LGA    V    68_B      V    68_C     1.692     0    0.045   0.048     2.574   69.048   67.211
LGA    D    69_B      D    69_C     2.397     0    0.082   1.048     5.340   61.190   55.357
LGA    E    70_B      E    70_C     3.916     0    0.033   0.782     7.948   46.667   31.534
LGA    E    71_B      E    71_C     1.998     0    0.707   0.634     3.869   61.429   71.587
LGA    G    72_B      G    72_C     2.050     0    0.124   0.124     2.262   66.786   66.786
LGA    R    73_B      R    73_C     1.547     0    0.040   1.031     5.123   77.143   64.372
LGA    V    74_B      V    74_C     1.542     0    0.127   1.031     3.410   75.000   72.041
LGA    W    75_B      W    75_C     1.056     0    0.116   0.144     1.286   83.690   82.075
LGA    F    76_B      F    76_C     1.008     0    0.063   0.128     1.251   83.690   82.251
LGA    I    77_B      I    77_C     1.164     0    0.111   0.661     3.419   81.429   77.500
LGA    V    78_B      V    78_C     0.805     0    0.072   0.118     0.924   90.476   90.476
LGA    K    79_B      K    79_C     0.767     0    0.100   0.533     2.477   83.810   81.799
LGA    E    80_B      E    80_C     1.404     0    0.086   0.919     6.449   88.333   56.614
LGA    M    81_B      M    81_C     0.252     0    0.007   1.049     4.996   92.857   76.250
LGA    L    82_B      L    82_C     1.320     0    0.183   0.220     2.053   77.381   78.333
LGA    H    83_B      H    83_C     1.759     0    0.077   0.292     2.599   70.833   66.476
LGA    A    84_B      A    84_C     2.367     0    0.039   0.047     2.581   60.952   61.714
LGA    T    85_B      T    85_C     3.147     0    0.206   0.222     4.076   55.357   51.224
LGA    T    86_B      T    86_C     2.513     0    0.055   1.033     3.600   60.952   59.524
LGA    E    87_B      E    87_C     2.059     0    0.060   1.066     3.720   73.095   63.545
LGA    E    88_B      E    88_C     0.932     0    0.049   0.979     4.779   88.214   66.931
LGA    E    89_B      E    89_C     1.140     0    0.037   0.205     3.330   85.952   71.746
LGA    A    90_B      A    90_C     0.737     0    0.051   0.051     0.955   90.476   90.476
LGA    L    91_B      L    91_C     0.227     0    0.035   0.811     3.558  100.000   86.131
LGA    E    92_B      E    92_C     0.457     0    0.040   0.295     1.723  100.000   89.735
LGA    N    93_B      N    93_C     0.424     0    0.012   1.063     3.022  100.000   89.048
LGA    M    94_B      M    94_C     0.282     0    0.031   0.136     0.823  100.000   97.619
LGA    D    95_B      D    95_C     0.428     0    0.046   0.158     1.118   97.619   94.107
LGA    K    96_B      K    96_C     0.541     0    0.017   1.240     6.929   95.238   72.857
LGA    F    97_B      F    97_C     0.341     0    0.037   0.210     1.140  100.000   93.983
LGA    L    98_B      L    98_C     0.412     0    0.051   0.150     1.360  100.000   92.976
LGA    E    99_B      E    99_C     0.525     0    0.021   0.924     4.086   95.238   72.434
LGA    S   100_B      S   100_C     0.499     0    0.063   0.107     0.642  100.000   96.825
LGA    W   101_B      W   101_C     0.190     0    0.032   1.278     4.979  100.000   75.612
LGA    E   102_B      E   102_C     0.258     0    0.041   0.136     0.875  100.000   95.767
LGA    K   103_B      K   103_C     0.323     0    0.027   0.739     2.596  100.000   86.349
LGA    V   104_B      V   104_C     0.372     0    0.048   1.129     2.434   95.238   87.211
LGA    F   105_B      F   105_C     0.567     0    0.021   0.148     1.393   92.857   88.052
LGA    K   106_B      K   106_C     0.611     0    0.023   1.059     6.645   95.238   69.471
LGA    E   107_B      E   107_C     0.404     0    0.049   0.487     1.542  100.000   90.741
LGA    L   108_B      L   108_C     0.620     0    0.000   0.092     0.745   90.476   90.476
LGA    L   109_B      L   109_C     0.594     0    0.020   0.090     1.644   95.238   88.393
LGA    E   110_B      E   110_C     0.397     0    0.041   0.121     0.926  100.000   96.825
LGA    Y   111_B      Y   111_C     0.275     0    0.066   0.098     1.299   97.619   92.976
LGA    H   112_B      H   112_C     0.335     0    0.017   0.130     1.507   95.238   89.762
LGA    F   113_B      F   113_C     1.265     0    0.113   0.948     4.417   81.548   64.805
LGA    E   114_B      E   114_C     1.796     0    0.131   0.394     2.171   70.952   72.011
LGA    H   115_B      H   115_C     2.555     0    0.145   1.159     6.697   59.048   45.619
LGA    N   116_B      N   116_C     3.259     0    0.102   0.906     4.314   48.333   46.726
LGA    S   119_B      S   119_C     2.105     0    0.090   0.244     3.306   69.405   73.492
LGA    P   120_B      P   120_C     0.958     0    0.111   0.424     2.816   88.214   79.456
LGA    T   121_B      T   121_C     0.436     0    0.061   0.142     0.675  100.000   98.639
LGA    F   122_B      F   122_C     0.778     0    0.013   0.372     2.066   88.214   80.866
LGA    D   123_B      D   123_C     1.224     0    0.093   0.173     2.211   85.952   77.381
LGA    F   124_B      F   124_C     0.831     0    0.034   0.099     0.925   90.476   90.476
LGA    F   125_B      F   125_C     0.841     0    0.023   0.325     2.182   90.476   80.952
LGA    L   126_B      L   126_C     1.003     0    0.015   0.145     1.122   83.690   83.690
LGA    D   127_B      D   127_C     1.232     0    0.053   0.292     2.319   81.429   76.190
LGA    F   128_B      F   128_C     1.004     0    0.038   0.334     2.711   83.690   73.247
LGA    L   129_B      L   129_C     1.122     0    0.032   0.156     1.324   83.690   82.560
LGA    W   130_B      W   130_C     0.907     0    0.073   0.111     1.314   85.952   86.599
LGA    W   131_B      W   131_C     0.961     0    0.053   0.143     1.362   85.952   88.537
LGA    Q   132_B      Q   132_C     1.129     0    0.128   0.502     2.538   83.690   77.831
LGA    L   133_B      L   133_C     1.142     0    0.095   0.188     1.240   81.429   82.560
LGA    Y   134_B      Y   134_C     1.579     0    0.048   0.357     1.824   75.000   80.079
LGA    G   135_B      G   135_C     2.096     0    0.029   0.029     2.096   70.833   70.833
LGA    E   136_B      E   136_C     1.579     0    0.020   0.090     3.193   77.143   66.931
LGA    P   137_B      P   137_C     1.001     0    0.557   0.809     3.683   69.762   74.762
LGA    M   138_B      M   138_C     1.006     0    0.650   1.001     6.125   69.405   51.905

# 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):     1.414          1.450                  2.179           82.416   75.773

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  147  127    4.0    127    1.41    86.614    93.773     8.391

LGA_LOCAL      RMSD:   1.414  Number of atoms:  127  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.414  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:   1.414  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.730460 * X  +  -0.550283 * Y  +   0.404496 * Z  +  26.113916
  Y_new =  -0.605757 * X  +   0.248496 * Y  +  -0.755849 * Z  +  -1.421622
  Z_new =   0.315415 * X  +  -0.797144 * Y  +  -0.514854 * Z  +  68.127670 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.449250 -0.320894 -2.144265   [DEG: -140.3317  -18.3859 -122.8573 ]
ZXZ:  0.491374  2.111634  2.764815   [DEG:   28.1537  120.9877  158.4122 ]
 
# END of job
