
#######################################################
#                                                     #
#                        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       1.27     1.27
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127       2_C - 138_C       1.27     1.27
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    57      75_C - 133_C       0.99     1.37
  LCS_AVERAGE:     40.63

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     51  127  127      4   29   79  104  121  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I     3_B     I     3_C     51  127  127      4   51   96  114  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q     4_B     Q     4_C     51  127  127     25   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E     5_B     E     5_C     51  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E     6_B     E     6_C     51  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I     7_B     I     7_C     51  127  127     26   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q     8_B     Q     8_C     51  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K     9_B     K     9_C     51  127  127     26   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    10_B     K    10_C     51  127  127     26   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    11_B     V    11_C     51  127  127     26   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    12_B     R    12_C     51  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    13_B     E    13_C     51  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    14_B     L    14_C     51  127  127     26   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    15_B     L    15_C     51  127  127     26   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    16_B     E    16_C     51  127  127     26   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    17_B     K    17_C     51  127  127     26   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    18_B     L    18_C     51  127  127     26   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    19_B     I    19_C     51  127  127     10   50  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    20_B     E    20_C     51  127  127     16   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    21_B     Y    21_C     51  127  127     26   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    22_B     L    22_C     51  127  127     26   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    23_B     E    23_C     51  127  127     26   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    24_B     E    24_C     51  127  127     26   73  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    25_B     L    25_C     51  127  127     11   54  102  115  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    26_B     K    26_C     51  127  127      3   50  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    27_B     E    27_C     51  127  127      3    5   89  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    34_B     K    34_C     51  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    35_B     E    35_C     51  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    36_B     K    36_C     51  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    37_B     L    37_C     51  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    38_B     E    38_C     51  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    39_B     E    39_C     51  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    40_B     V    40_C     51  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    41_B     I    41_C     51  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    42_B     E    42_C     51  127  127     26   81  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    43_B     G    43_C     51  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    44_B     L    44_C     51  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    45_B     E    45_C     51  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    46_B     R    46_C     51  127  127     13   71  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    47_B     L    47_C     51  127  127      9   57  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    48_B     K    48_C     51  127  127     12   55  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    49_B     E    49_C     51  127  127     11   73  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    50_B     E    50_C     51  127  127     15   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    51_B     V    51_C     51  127  127     10   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    52_B     D    52_C     51  127  127      3   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    55_B     Q    55_C     51  127  127      3   13   71  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    56_B     L    56_C     51  127  127      8   37   79  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    57_B     N    57_C     51  127  127      8   30   79  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    58_B     M    58_C     51  127  127      8   35   83  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    59_B     N    59_C     51  127  127      9   62  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    60_B     L    60_C     51  127  127     26   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    61_B     I    61_C     51  127  127     25   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    62_B     V    62_C     22  127  127     15   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    63_B     F    63_C     22  127  127     13   64  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    64_B     E    64_C     22  127  127      9   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    65_B     G    65_C     22  127  127     18   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    66_B     L    66_C     22  127  127     18   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    67_B     E    67_C     22  127  127     26   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    68_B     V    68_C     22  127  127      9   52  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    69_B     D    69_C     22  127  127      5   38   99  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    70_B     E    70_C     22  127  127      4    7   18   80  115  126  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   28   47  113  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    72_B     G    72_C     45  127  127      3   24   89  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    73_B     R    73_C     54  127  127      9   31  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    74_B     V    74_C     56  127  127      9   31  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W    75_B     W    75_C     57  127  127     15   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    76_B     F    76_C     57  127  127     14   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    77_B     I    77_C     57  127  127     14   80  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    78_B     V    78_C     57  127  127     26   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    79_B     K    79_C     57  127  127     25   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    80_B     E    80_C     57  127  127     15   70  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    81_B     M    81_C     57  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    82_B     L    82_C     57  127  127     22   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H    83_B     H    83_C     57  127  127     17   62  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    84_B     A    84_C     57  127  127      9   39  100  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    85_B     T    85_C     57  127  127      7   30   79  115  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    86_B     T    86_C     57  127  127     10   51  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    87_B     E    87_C     57  127  127     11   51  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    88_B     E    88_C     57  127  127     23   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    89_B     E    89_C     57  127  127     22   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    90_B     A    90_C     57  127  127     24   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    91_B     L    91_C     57  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    92_B     E    92_C     57  127  127     26   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    93_B     N    93_C     57  127  127     26   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    94_B     M    94_C     57  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    95_B     D    95_C     57  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    96_B     K    96_C     57  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    97_B     F    97_C     57  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    98_B     L    98_C     57  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    99_B     E    99_C     57  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   100_B     S   100_C     57  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   101_B     W   101_C     57  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   102_B     E   102_C     57  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   103_B     K   103_C     57  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   104_B     V   104_C     57  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   105_B     F   105_C     57  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   106_B     K   106_C     57  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   107_B     E   107_C     57  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   108_B     L   108_C     57  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   109_B     L   109_C     57  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   110_B     E   110_C     57  127  127     24   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   111_B     Y   111_C     57  127  127     26   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   112_B     H   112_C     57  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   113_B     F   113_C     57  127  127     14   64  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   114_B     E   114_C     57  127  127      5   56  101  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   115_B     H   115_C     57  127  127      5   16   99  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N   116_B     N   116_C     57  127  127      4   10   84  115  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   119_B     S   119_C     57  127  127     13   46  100  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   120_B     P   120_C     57  127  127     15   74  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   121_B     T   121_C     57  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   122_B     F   122_C     57  127  127     15   80  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   123_B     D   123_C     57  127  127     10   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   124_B     F   124_C     57  127  127     21   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   125_B     F   125_C     57  127  127     17   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   126_B     L   126_C     57  127  127     26   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   127_B     D   127_C     57  127  127     18   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   128_B     F   128_C     57  127  127     19   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   129_B     L   129_C     57  127  127     17   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   130_B     W   130_C     57  127  127     19   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   131_B     W   131_C     57  127  127     19   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   132_B     Q   132_C     57  127  127     15   71  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   133_B     L   133_C     57  127  127     19   80  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   134_B     Y   134_C     51  127  127     14   41  100  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   135_B     G   135_C     51  127  127     11   36   79  112  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   136_B     E   136_C     51  127  127      7   42  100  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   137_B     P   137_C     51  127  127     27   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M   138_B     M   138_C     51  127  127     25   83  102  116  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_AVERAGE  LCS_A:  80.21  (  40.63  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     27     83    102    116    124    126    127    127    127    127    127    127    127    127    127    127    127    127    127    127 
GDT PERCENT_AT  21.26  65.35  80.31  91.34  97.64  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.70   0.85   1.06   1.19   1.24   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27
GDT RMS_ALL_AT   1.37   1.32   1.33   1.28   1.28   1.28   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.27

# 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    67_B      E    67_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    99_B      E    99_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     2.946     0    0.562   0.552     5.475   57.143   44.626
LGA    I     3_B      I     3_C     1.993     0    0.050   0.161     3.299   70.833   66.964
LGA    Q     4_B      Q     4_C     0.878     0    0.050   0.893     4.042   88.214   76.984
LGA    E     5_B      E     5_C     0.737     0    0.014   0.104     0.801   90.476   90.476
LGA    E     6_B      E     6_C     0.834     0    0.037   0.874     3.701   90.476   78.677
LGA    I     7_B      I     7_C     0.843     0    0.026   0.074     1.113   90.476   89.345
LGA    Q     8_B      Q     8_C     0.719     0    0.035   0.755     2.390   90.476   84.656
LGA    K     9_B      K     9_C     0.863     0    0.049   1.374     9.021   90.476   61.746
LGA    K    10_B      K    10_C     0.940     0    0.072   0.728     2.085   90.476   82.646
LGA    V    11_B      V    11_C     0.988     0    0.064   0.081     1.540   88.214   84.082
LGA    R    12_B      R    12_C     0.636     0    0.106   0.870     2.231   90.476   85.714
LGA    E    13_B      E    13_C     0.605     0    0.131   0.264     1.308   88.214   87.460
LGA    L    14_B      L    14_C     0.771     0    0.106   0.095     1.348   90.476   87.083
LGA    L    15_B      L    15_C     0.982     0    0.059   0.096     1.471   90.476   85.952
LGA    E    16_B      E    16_C     0.817     0    0.131   0.335     1.238   88.214   87.460
LGA    K    17_B      K    17_C     0.820     0    0.072   0.182     1.279   85.952   89.524
LGA    L    18_B      L    18_C     1.228     0    0.069   0.100     1.526   81.548   81.488
LGA    I    19_B      I    19_C     1.627     0    0.027   0.692     2.148   77.143   72.976
LGA    E    20_B      E    20_C     1.150     0    0.013   0.216     1.471   81.429   82.434
LGA    Y    21_B      Y    21_C     1.011     0    0.050   0.965     6.820   83.690   56.706
LGA    L    22_B      L    22_C     1.188     0    0.015   0.041     1.355   81.429   83.690
LGA    E    23_B      E    23_C     1.212     0    0.058   0.192     1.687   79.286   82.487
LGA    E    24_B      E    24_C     1.786     0    0.026   1.040     5.936   72.976   57.725
LGA    L    25_B      L    25_C     1.935     0    0.106   0.258     2.888   72.857   69.881
LGA    K    26_B      K    26_C     1.862     0    0.642   0.602     4.565   65.476   55.926
LGA    E    27_B      E    27_C     1.695     0    0.604   0.601     5.593   66.905   50.423
LGA    K    34_B      K    34_C     0.929     0    0.265   0.731     1.965   86.071   82.646
LGA    E    35_B      E    35_C     0.981     0    0.061   1.290     4.787   90.476   69.153
LGA    K    36_B      K    36_C     0.954     0    0.020   1.521    10.334   90.476   56.984
LGA    L    37_B      L    37_C     0.802     0    0.029   0.088     1.089   90.476   88.214
LGA    E    38_B      E    38_C     0.680     0    0.093   0.174     0.939   92.857   91.534
LGA    E    39_B      E    39_C     0.706     0    0.022   0.802     3.096   90.476   79.418
LGA    V    40_B      V    40_C     0.545     0    0.030   0.052     1.019   95.238   91.905
LGA    I    41_B      I    41_C     0.104     0    0.061   0.099     0.355  100.000  100.000
LGA    E    42_B      E    42_C     0.667     0    0.145   0.132     1.472   95.238   88.571
LGA    G    43_B      G    43_C     0.406     0    0.048   0.048     0.495  100.000  100.000
LGA    L    44_B      L    44_C     0.480     0    0.040   1.180     3.936   95.238   79.881
LGA    E    45_B      E    45_C     0.518     0    0.119   1.003     3.634   90.595   78.677
LGA    R    46_B      R    46_C     1.202     0    0.046   0.576     3.667   81.548   71.905
LGA    L    47_B      L    47_C     1.191     0    0.100   0.980     2.550   83.690   78.452
LGA    K    48_B      K    48_C     1.267     0    0.036   0.775     2.356   81.429   77.725
LGA    E    49_B      E    49_C     1.315     0    0.144   0.686     3.663   79.286   65.026
LGA    E    50_B      E    50_C     1.106     0    0.056   0.372     1.369   83.690   82.434
LGA    V    51_B      V    51_C     1.069     0    0.133   0.187     1.624   81.429   80.204
LGA    D    52_B      D    52_C     0.984     0    0.049   0.120     1.197   83.690   83.690
LGA    Q    55_B      Q    55_C     2.371     0    0.156   0.724     5.512   52.262   43.598
LGA    L    56_B      L    56_C     2.392     0    0.081   1.415     7.129   73.095   53.512
LGA    N    57_B      N    57_C     2.320     0    0.061   0.103     2.610   60.952   64.881
LGA    M    58_B      M    58_C     2.087     0    0.164   1.090     3.942   68.810   61.310
LGA    N    59_B      N    59_C     1.354     0    0.127   0.343     1.739   79.286   76.071
LGA    L    60_B      L    60_C     0.584     0    0.018   0.065     0.959   95.238   95.238
LGA    I    61_B      I    61_C     0.606     0    0.064   0.093     0.858   90.476   90.476
LGA    V    62_B      V    62_C     1.033     0    0.016   0.113     1.266   85.952   84.014
LGA    F    63_B      F    63_C     1.273     0    0.038   0.281     2.062   79.286   77.576
LGA    E    64_B      E    64_C     1.042     0    0.008   0.945     4.182   81.429   70.106
LGA    G    65_B      G    65_C     0.900     0    0.033   0.033     1.019   88.214   88.214
LGA    L    66_B      L    66_C     0.842     0    0.051   0.145     1.071   90.476   87.083
LGA    E    67_B      E    67_C     0.525     0    0.015   0.208     1.049   88.214   89.471
LGA    V    68_B      V    68_C     1.443     0    0.048   0.054     2.432   75.119   70.680
LGA    D    69_B      D    69_C     1.959     0    0.085   1.046     5.456   63.214   58.452
LGA    E    70_B      E    70_C     3.650     0    0.031   0.793     7.219   46.667   33.280
LGA    E    71_B      E    71_C     2.467     0    0.705   0.669     4.421   55.952   63.545
LGA    G    72_B      G    72_C     2.108     0    0.124   0.124     2.358   64.762   64.762
LGA    R    73_B      R    73_C     1.713     0    0.039   1.029     4.251   75.000   68.528
LGA    V    74_B      V    74_C     1.657     0    0.118   1.015     3.301   75.000   72.041
LGA    W    75_B      W    75_C     0.976     0    0.076   0.104     1.093   83.690   90.578
LGA    F    76_B      F    76_C     1.069     0    0.064   0.161     1.498   81.429   81.429
LGA    I    77_B      I    77_C     1.187     0    0.115   0.643     3.458   81.429   77.500
LGA    V    78_B      V    78_C     0.793     0    0.070   0.127     0.920   90.476   90.476
LGA    K    79_B      K    79_C     0.786     0    0.076   0.551     2.684   85.952   81.905
LGA    E    80_B      E    80_C     1.361     0    0.078   0.904     5.879   85.952   57.989
LGA    M    81_B      M    81_C     0.388     0    0.048   1.100     3.787   95.238   79.821
LGA    L    82_B      L    82_C     0.942     0    0.188   0.228     1.643   83.810   82.619
LGA    H    83_B      H    83_C     1.416     0    0.112   1.333     5.575   77.143   58.905
LGA    A    84_B      A    84_C     2.135     0    0.033   0.052     2.299   66.786   66.381
LGA    T    85_B      T    85_C     2.764     0    0.166   0.214     3.684   60.952   56.327
LGA    T    86_B      T    86_C     2.131     0    0.053   0.998     3.203   68.810   66.122
LGA    E    87_B      E    87_C     1.773     0    0.064   1.083     3.523   75.119   66.138
LGA    E    88_B      E    88_C     0.757     0    0.051   1.028     3.915   88.214   69.735
LGA    E    89_B      E    89_C     0.938     0    0.026   0.268     3.187   90.476   77.302
LGA    A    90_B      A    90_C     0.663     0    0.040   0.044     0.913   95.238   94.286
LGA    L    91_B      L    91_C     0.338     0    0.025   0.780     3.547   97.619   84.940
LGA    E    92_B      E    92_C     0.448     0    0.037   0.316     1.730  100.000   90.741
LGA    N    93_B      N    93_C     0.420     0    0.010   1.066     2.765  100.000   88.869
LGA    M    94_B      M    94_C     0.327     0    0.030   0.246     1.035  100.000   95.298
LGA    D    95_B      D    95_C     0.383     0    0.031   0.189     1.118  100.000   96.488
LGA    K    96_B      K    96_C     0.355     0    0.013   1.290     6.714  100.000   76.772
LGA    F    97_B      F    97_C     0.212     0    0.038   0.238     0.921  100.000   96.537
LGA    L    98_B      L    98_C     0.457     0    0.053   0.150     1.251  100.000   92.976
LGA    E    99_B      E    99_C     0.400     0    0.043   0.231     1.763  100.000   90.741
LGA    S   100_B      S   100_C     0.326     0    0.063   0.093     0.468  100.000  100.000
LGA    W   101_B      W   101_C     0.106     0    0.026   1.297     5.038  100.000   75.238
LGA    E   102_B      E   102_C     0.292     0    0.044   0.148     0.545  100.000   98.942
LGA    K   103_B      K   103_C     0.152     0    0.019   0.725     2.203  100.000   89.153
LGA    V   104_B      V   104_C     0.193     0    0.015   0.132     0.543  100.000   98.639
LGA    F   105_B      F   105_C     0.516     0    0.020   0.093     1.397   92.857   87.229
LGA    K   106_B      K   106_C     0.575     0    0.022   1.047     7.021   95.238   68.307
LGA    E   107_B      E   107_C     0.322     0    0.051   0.500     1.363  100.000   93.757
LGA    L   108_B      L   108_C     0.577     0    0.012   0.082     0.793   90.476   90.476
LGA    L   109_B      L   109_C     0.747     0    0.014   1.307     3.081   90.476   82.083
LGA    E   110_B      E   110_C     0.600     0    0.035   0.120     1.262   92.857   89.524
LGA    Y   111_B      Y   111_C     0.353     0    0.071   0.106     0.987   97.619   95.238
LGA    H   112_B      H   112_C     0.121     0    0.033   1.148     2.732  100.000   84.238
LGA    F   113_B      F   113_C     1.227     0    0.108   0.860     3.727   81.548   68.571
LGA    E   114_B      E   114_C     1.801     0    0.135   0.405     2.187   72.976   71.111
LGA    H   115_B      H   115_C     2.144     0    0.146   1.161     7.080   66.786   47.238
LGA    N   116_B      N   116_C     2.701     0    0.130   0.677     3.647   55.357   55.476
LGA    S   119_B      S   119_C     1.902     0    0.122   0.256     3.102   71.429   74.841
LGA    P   120_B      P   120_C     0.958     0    0.104   0.390     2.700   88.214   79.456
LGA    T   121_B      T   121_C     0.483     0    0.050   0.117     0.557   92.857   94.558
LGA    F   122_B      F   122_C     0.869     0    0.009   0.346     2.081   88.214   78.528
LGA    D   123_B      D   123_C     1.080     0    0.095   0.186     2.102   88.214   80.595
LGA    F   124_B      F   124_C     0.612     0    0.050   0.116     0.740   90.476   93.939
LGA    F   125_B      F   125_C     0.756     0    0.020   0.389     2.694   90.476   78.052
LGA    L   126_B      L   126_C     0.845     0    0.009   0.135     0.986   90.476   90.476
LGA    D   127_B      D   127_C     1.043     0    0.055   0.287     2.177   88.214   80.595
LGA    F   128_B      F   128_C     0.918     0    0.036   0.400     2.835   88.214   75.628
LGA    L   129_B      L   129_C     0.986     0    0.027   0.133     1.085   88.214   85.952
LGA    W   130_B      W   130_C     0.872     0    0.061   0.104     1.507   85.952   85.340
LGA    W   131_B      W   131_C     1.043     0    0.063   0.106     1.578   81.548   84.048
LGA    Q   132_B      Q   132_C     1.216     0    0.105   0.623     3.059   81.429   76.032
LGA    L   133_B      L   133_C     1.113     0    0.057   0.178     1.363   81.429   84.821
LGA    Y   134_B      Y   134_C     1.800     0    0.058   0.449     2.178   68.810   73.651
LGA    G   135_B      G   135_C     2.393     0    0.031   0.031     2.393   64.762   64.762
LGA    E   136_B      E   136_C     1.818     0    0.023   0.802     2.862   77.143   72.116
LGA    P   137_B      P   137_C     0.981     0    0.559   0.812     3.676   72.024   76.054
LGA    M   138_B      M   138_C     0.918     0    0.652   1.107     6.350   70.000   51.607

# 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):     1.275          1.331                  1.987           84.392   78.138

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  147  127    4.0    127    1.27    89.173    94.985     9.239

LGA_LOCAL      RMSD:   1.275  Number of atoms:  127  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.275  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:   1.275  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.885970 * X  +  -0.348146 * Y  +   0.306352 * Z  +  32.603859
  Y_new =  -0.446801 * X  +   0.817753 * Y  +  -0.362834 * Z  +  -2.067597
  Z_new =  -0.124201 * X  +  -0.458339 * Y  +  -0.880057 * Z  +  66.243965 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.674505  0.124522 -2.661439   [DEG: -153.2378    7.1346 -152.4892 ]
ZXZ:  0.701193  2.646778 -2.876968   [DEG:   40.1754  151.6492 -164.8381 ]
 
# END of job
