
#######################################################
#                                                     #
#                        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       1.15     1.15
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127       2_C - 138_C       1.15     1.15
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89      38_C - 130_C       1.00     1.23
  LCS_AVERAGE:     63.77

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     60  127  127     13   58   85  114  121  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I     3_B     I     3_C     60  127  127      4   31  105  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q     4_B     Q     4_C     60  127  127     42   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E     5_B     E     5_C     60  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E     6_B     E     6_C     60  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I     7_B     I     7_C     60  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q     8_B     Q     8_C     60  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K     9_B     K     9_C     60  127  127     42   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    10_B     K    10_C     60  127  127     42   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    11_B     V    11_C     60  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    12_B     R    12_C     60  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    13_B     E    13_C     60  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    14_B     L    14_C     60  127  127     37   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    15_B     L    15_C     60  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    16_B     E    16_C     60  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    17_B     K    17_C     60  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    18_B     L    18_C     60  127  127     28   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    19_B     I    19_C     60  127  127      8   81  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    20_B     E    20_C     60  127  127     25   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    21_B     Y    21_C     60  127  127     39   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    22_B     L    22_C     60  127  127     38   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    23_B     E    23_C     60  127  127     39   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    24_B     E    24_C     60  127  127     20   74  104  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    25_B     L    25_C     60  127  127     13   69  104  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    26_B     K    26_C     81  127  127      4   66  104  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    27_B     E    27_C     81  127  127      3    5   28  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    34_B     K    34_C     81  127  127     40   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    35_B     E    35_C     81  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    36_B     K    36_C     81  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    37_B     L    37_C     83  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    38_B     E    38_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    39_B     E    39_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    40_B     V    40_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    41_B     I    41_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    42_B     E    42_C     89  127  127     42   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    43_B     G    43_C     89  127  127     43   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    44_B     L    44_C     89  127  127     42   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    45_B     E    45_C     89  127  127     41   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    46_B     R    46_C     89  127  127     14   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    47_B     L    47_C     89  127  127      4   77  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    48_B     K    48_C     89  127  127     17   83  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    49_B     E    49_C     89  127  127     24   86  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    50_B     E    50_C     89  127  127     24   86  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    51_B     V    51_C     89  127  127     25   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    52_B     D    52_C     89  127  127     12   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    55_B     Q    55_C     89  127  127     26   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    56_B     L    56_C     89  127  127      3   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    57_B     N    57_C     89  127  127     34   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    58_B     M    58_C     89  127  127     39   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    59_B     N    59_C     89  127  127     37   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    60_B     L    60_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    61_B     I    61_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    62_B     V    62_C     89  127  127     42   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    63_B     F    63_C     89  127  127     23   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    64_B     E    64_C     89  127  127     42   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    65_B     G    65_C     89  127  127     42   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    66_B     L    66_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    67_B     E    67_C     89  127  127     37   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    68_B     V    68_C     89  127  127     15   86  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    69_B     D    69_C     89  127  127     10   57  107  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    70_B     E    70_C     89  127  127      4   14   86  105  122  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    71_B     E    71_C     89  127  127      3   48   88  115  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    72_B     G    72_C     89  127  127      3   22  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    73_B     R    73_C     89  127  127      9   72  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    74_B     V    74_C     89  127  127      9   82  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W    75_B     W    75_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    76_B     F    76_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    77_B     I    77_C     89  127  127     42   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    78_B     V    78_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    79_B     K    79_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    80_B     E    80_C     89  127  127     23   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    81_B     M    81_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    82_B     L    82_C     89  127  127     41   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H    83_B     H    83_C     89  127  127     40   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    84_B     A    84_C     89  127  127     20   65  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    85_B     T    85_C     89  127  127      7   35   99  117  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    86_B     T    86_C     89  127  127     10   35   70  117  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    87_B     E    87_C     89  127  127      7   33   70  117  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    88_B     E    88_C     89  127  127      7   77  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    89_B     E    89_C     89  127  127     17   86  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    90_B     A    90_C     89  127  127     16   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    91_B     L    91_C     89  127  127     37   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    92_B     E    92_C     89  127  127     37   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    93_B     N    93_C     89  127  127     44   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    94_B     M    94_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    95_B     D    95_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    96_B     K    96_C     89  127  127     41   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    97_B     F    97_C     89  127  127     44   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    98_B     L    98_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    99_B     E    99_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   100_B     S   100_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   101_B     W   101_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   102_B     E   102_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   103_B     K   103_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   104_B     V   104_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   105_B     F   105_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   106_B     K   106_C     89  127  127     44   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   107_B     E   107_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   108_B     L   108_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   109_B     L   109_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   110_B     E   110_C     89  127  127     42   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   111_B     Y   111_C     89  127  127     42   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   112_B     H   112_C     89  127  127     36   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   113_B     F   113_C     89  127  127     30   86  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   114_B     E   114_C     89  127  127      5   78  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   115_B     H   115_C     89  127  127      4   25   86  116  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N   116_B     N   116_C     89  127  127      4   10   50   83  122  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   119_B     S   119_C     89  127  127      3   17   56  116  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   120_B     P   120_C     89  127  127     30   86  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   121_B     T   121_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   122_B     F   122_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   123_B     D   123_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   124_B     F   124_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   125_B     F   125_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   126_B     L   126_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   127_B     D   127_C     89  127  127     19   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   128_B     F   128_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   129_B     L   129_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   130_B     W   130_C     89  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   131_B     W   131_C     61  127  127     47   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   132_B     Q   132_C     61  127  127     42   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   133_B     L   133_C     61  127  127     33   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   134_B     Y   134_C     61  127  127     31   89  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   135_B     G   135_C     48  127  127      6   68  105  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   136_B     E   136_C     48  127  127      4   27  102  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   137_B     P   137_C     48  127  127      4   58  103  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M   138_B     M   138_C     48  127  127      8   87  108  118  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_AVERAGE  LCS_A:  87.92  (  63.77  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     47     89    108    118    124    127    127    127    127    127    127    127    127    127    127    127    127    127    127    127 
GDT PERCENT_AT  37.01  70.08  85.04  92.91  97.64 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.36   0.57   0.79   0.93   1.06   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15
GDT RMS_ALL_AT   1.25   1.20   1.15   1.16   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15

# 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    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     2.782     0    0.568   0.557     5.314   59.048   47.279
LGA    I     3_B      I     3_C     1.705     0    0.077   0.590     3.174   77.143   71.131
LGA    Q     4_B      Q     4_C     0.608     0    0.043   1.078     5.848   90.476   69.841
LGA    E     5_B      E     5_C     0.551     0    0.012   0.137     0.674   90.476   91.534
LGA    E     6_B      E     6_C     0.649     0    0.030   0.888     3.739   90.476   78.677
LGA    I     7_B      I     7_C     0.561     0    0.032   0.146     0.921   95.238   92.857
LGA    Q     8_B      Q     8_C     0.458     0    0.012   0.849     2.068  100.000   90.053
LGA    K     9_B      K     9_C     0.644     0    0.039   1.395     9.018   90.476   61.746
LGA    K    10_B      K    10_C     0.720     0    0.080   0.868     2.377   90.476   85.608
LGA    V    11_B      V    11_C     0.551     0    0.056   0.087     1.015   92.857   91.905
LGA    R    12_B      R    12_C     0.211     0    0.118   1.423     4.420   97.619   77.792
LGA    E    13_B      E    13_C     0.461     0    0.120   0.302     1.478   97.619   90.635
LGA    L    14_B      L    14_C     0.646     0    0.114   0.103     1.534   97.619   89.583
LGA    L    15_B      L    15_C     0.713     0    0.054   0.091     0.953   90.476   90.476
LGA    E    16_B      E    16_C     0.569     0    0.113   0.337     0.935   90.476   92.593
LGA    K    17_B      K    17_C     0.589     0    0.065   0.195     1.206   88.214   91.640
LGA    L    18_B      L    18_C     1.014     0    0.077   0.169     1.405   83.690   84.821
LGA    I    19_B      I    19_C     1.505     0    0.013   0.688     2.052   77.143   74.048
LGA    E    20_B      E    20_C     1.087     0    0.003   1.000     3.233   83.690   74.392
LGA    Y    21_B      Y    21_C     1.010     0    0.039   0.951     6.887   83.690   57.698
LGA    L    22_B      L    22_C     1.186     0    0.024   0.036     1.443   81.429   84.821
LGA    E    23_B      E    23_C     1.299     0    0.066   0.962     4.686   77.143   67.778
LGA    E    24_B      E    24_C     1.955     0    0.020   1.026     6.102   68.810   53.915
LGA    L    25_B      L    25_C     2.115     0    0.126   1.349     4.869   68.810   58.929
LGA    K    26_B      K    26_C     2.087     0    0.628   0.648     3.884   59.405   55.820
LGA    E    27_B      E    27_C     1.877     0    0.600   1.025     6.505   65.119   48.201
LGA    K    34_B      K    34_C     1.046     0    0.285   0.740     2.292   81.786   78.730
LGA    E    35_B      E    35_C     1.011     0    0.058   1.299     5.443   85.952   64.392
LGA    K    36_B      K    36_C     0.899     0    0.018   1.551    10.237   90.476   57.513
LGA    L    37_B      L    37_C     0.808     0    0.030   0.092     1.234   90.476   87.083
LGA    E    38_B      E    38_C     0.657     0    0.100   0.183     1.453   92.857   88.519
LGA    E    39_B      E    39_C     0.594     0    0.022   0.794     3.853   92.857   77.354
LGA    V    40_B      V    40_C     0.500     0    0.026   0.050     0.965   95.238   93.197
LGA    I    41_B      I    41_C     0.218     0    0.052   0.096     0.562  100.000   98.810
LGA    E    42_B      E    42_C     0.303     0    0.102   0.119     0.521  100.000   98.942
LGA    G    43_B      G    43_C     0.286     0    0.042   0.042     0.323  100.000  100.000
LGA    L    44_B      L    44_C     0.406     0    0.042   1.174     3.774   97.619   81.071
LGA    E    45_B      E    45_C     0.467     0    0.115   0.955     3.886   97.619   79.894
LGA    R    46_B      R    46_C     0.798     0    0.036   0.999     2.685   90.595   80.346
LGA    L    47_B      L    47_C     1.158     0    0.061   1.073     2.897   83.690   76.369
LGA    K    48_B      K    48_C     1.148     0    0.011   0.764     2.480   81.429   77.725
LGA    E    49_B      E    49_C     1.186     0    0.148   0.699     3.250   81.429   70.688
LGA    E    50_B      E    50_C     1.200     0    0.029   0.458     1.550   81.429   82.540
LGA    V    51_B      V    51_C     0.976     0    0.144   0.181     1.265   85.952   86.599
LGA    D    52_B      D    52_C     1.038     0    0.047   0.369     2.869   77.381   71.131
LGA    Q    55_B      Q    55_C     1.006     0    0.023   0.976     2.554   85.952   77.937
LGA    L    56_B      L    56_C     0.784     0    0.084   0.223     2.051   95.238   85.179
LGA    N    57_B      N    57_C     0.628     0    0.085   0.128     1.614   92.857   86.071
LGA    M    58_B      M    58_C     0.540     0    0.133   1.067     2.390   90.476   82.917
LGA    N    59_B      N    59_C     0.582     0    0.069   0.219     0.722   92.857   94.048
LGA    L    60_B      L    60_C     0.285     0    0.070   0.127     0.756  100.000   98.810
LGA    I    61_B      I    61_C     0.605     0    0.073   0.075     0.633   90.476   90.476
LGA    V    62_B      V    62_C     0.823     0    0.024   0.096     0.966   90.476   90.476
LGA    F    63_B      F    63_C     0.979     0    0.046   0.169     1.725   88.214   82.338
LGA    E    64_B      E    64_C     0.733     0    0.013   0.967     3.614   90.476   77.037
LGA    G    65_B      G    65_C     0.619     0    0.028   0.028     0.672   90.476   90.476
LGA    L    66_B      L    66_C     0.411     0    0.061   0.095     0.590  100.000   95.238
LGA    E    67_B      E    67_C     0.518     0    0.050   0.929     2.094   90.595   80.899
LGA    V    68_B      V    68_C     1.203     0    0.041   0.076     1.907   79.405   76.599
LGA    D    69_B      D    69_C     1.859     0    0.073   1.041     5.580   69.048   59.881
LGA    E    70_B      E    70_C     3.097     0    0.026   0.790     6.229   53.571   40.688
LGA    E    71_B      E    71_C     2.120     0    0.707   0.622     4.191   57.857   66.190
LGA    G    72_B      G    72_C     1.569     0    0.128   0.128     2.034   70.833   70.833
LGA    R    73_B      R    73_C     1.412     0    0.053   0.952     2.323   81.429   79.264
LGA    V    74_B      V    74_C     1.173     0    0.112   1.052     3.105   81.429   75.714
LGA    W    75_B      W    75_C     0.441     0    0.082   0.098     0.684   95.238   98.639
LGA    F    76_B      F    76_C     0.551     0    0.066   0.298     0.983   92.857   92.208
LGA    I    77_B      I    77_C     0.748     0    0.093   0.129     0.963   90.476   90.476
LGA    V    78_B      V    78_C     0.391     0    0.066   0.128     0.630  100.000   97.279
LGA    K    79_B      K    79_C     0.587     0    0.088   0.540     2.843   90.595   81.111
LGA    E    80_B      E    80_C     1.217     0    0.073   0.917     5.732   90.595   60.053
LGA    M    81_B      M    81_C     0.539     0    0.013   1.045     5.070   95.238   74.702
LGA    L    82_B      L    82_C     0.442     0    0.182   0.212     1.516   90.833   90.655
LGA    H    83_B      H    83_C     0.524     0    0.111   0.283     1.292   90.476   89.619
LGA    A    84_B      A    84_C     1.599     0    0.080   0.109     1.791   75.000   74.571
LGA    T    85_B      T    85_C     2.317     0    0.206   0.222     2.965   64.762   62.585
LGA    T    86_B      T    86_C     2.371     0    0.059   1.035     3.586   64.762   61.701
LGA    E    87_B      E    87_C     2.438     0    0.066   1.017     3.754   64.881   59.101
LGA    E    88_B      E    88_C     1.718     0    0.047   0.970     5.517   75.119   54.709
LGA    E    89_B      E    89_C     1.269     0    0.038   0.234     3.059   85.952   74.339
LGA    A    90_B      A    90_C     0.966     0    0.058   0.058     1.348   88.214   86.857
LGA    L    91_B      L    91_C     0.652     0    0.029   0.843     2.991   95.238   88.750
LGA    E    92_B      E    92_C     0.573     0    0.039   0.299     1.176   95.238   91.587
LGA    N    93_B      N    93_C     0.345     0    0.014   1.054     2.743  100.000   91.250
LGA    M    94_B      M    94_C     0.126     0    0.029   0.108     0.676  100.000   98.810
LGA    D    95_B      D    95_C     0.210     0    0.024   0.161     0.927  100.000   96.429
LGA    K    96_B      K    96_C     0.419     0    0.014   1.272     6.513  100.000   75.714
LGA    F    97_B      F    97_C     0.422     0    0.043   0.089     0.587  100.000   97.403
LGA    L    98_B      L    98_C     0.153     0    0.047   0.133     0.723  100.000   97.619
LGA    E    99_B      E    99_C     0.215     0    0.030   0.187     1.105  100.000   95.820
LGA    S   100_B      S   100_C     0.342     0    0.051   0.078     0.423  100.000  100.000
LGA    W   101_B      W   101_C     0.318     0    0.033   1.420     5.317  100.000   76.224
LGA    E   102_B      E   102_C     0.264     0    0.049   0.114     0.456  100.000  100.000
LGA    K   103_B      K   103_C     0.395     0    0.017   0.712     2.037  100.000   88.995
LGA    V   104_B      V   104_C     0.090     0    0.022   0.079     0.666  100.000   97.279
LGA    F   105_B      F   105_C     0.608     0    0.000   0.199     2.126   92.857   81.818
LGA    K   106_B      K   106_C     0.685     0    0.029   1.034     7.092   95.238   67.513
LGA    E   107_B      E   107_C     0.239     0    0.052   0.498     1.480  100.000   93.757
LGA    L   108_B      L   108_C     0.518     0    0.004   0.121     0.789   97.619   94.048
LGA    L   109_B      L   109_C     0.416     0    0.022   0.108     1.601  100.000   90.774
LGA    E   110_B      E   110_C     0.273     0    0.038   0.132     0.819  100.000   98.942
LGA    Y   111_B      Y   111_C     0.353     0    0.065   0.123     1.365   95.238   92.143
LGA    H   112_B      H   112_C     0.530     0    0.017   1.100     3.168   92.857   82.333
LGA    F   113_B      F   113_C     1.100     0    0.117   0.963     5.148   83.690   60.996
LGA    E   114_B      E   114_C     1.619     0    0.148   0.398     2.060   72.976   74.815
LGA    H   115_B      H   115_C     2.381     0    0.141   1.162     6.930   60.952   45.762
LGA    N   116_B      N   116_C     3.218     0    0.092   0.863     3.961   50.119   49.226
LGA    S   119_B      S   119_C     2.571     0    0.036   0.631     3.789   61.548   62.619
LGA    P   120_B      P   120_C     0.965     0    0.135   0.198     2.192   88.452   80.680
LGA    T   121_B      T   121_C     0.320     0    0.048   0.067     0.833  100.000   95.918
LGA    F   122_B      F   122_C     0.540     0    0.021   0.404     2.020   92.857   84.978
LGA    D   123_B      D   123_C     0.906     0    0.099   0.230     1.965   90.476   82.738
LGA    F   124_B      F   124_C     0.777     0    0.048   0.088     0.875   90.476   90.476
LGA    F   125_B      F   125_C     0.658     0    0.025   0.097     1.474   92.857   88.052
LGA    L   126_B      L   126_C     0.742     0    0.028   0.216     0.879   90.476   90.476
LGA    D   127_B      D   127_C     0.994     0    0.057   0.233     1.952   90.476   82.738
LGA    F   128_B      F   128_C     0.648     0    0.051   0.363     1.521   90.476   87.229
LGA    L   129_B      L   129_C     0.496     0    0.023   0.148     0.594   92.857   94.048
LGA    W   130_B      W   130_C     0.711     0    0.060   0.123     1.709   88.214   83.435
LGA    W   131_B      W   131_C     0.884     0    0.050   0.153     1.376   88.214   85.306
LGA    Q   132_B      Q   132_C     0.823     0    0.083   0.526     1.570   90.476   88.519
LGA    L   133_B      L   133_C     0.833     0    0.103   0.147     1.203   88.214   88.214
LGA    Y   134_B      Y   134_C     1.155     0    0.070   0.248     1.421   81.429   85.952
LGA    G   135_B      G   135_C     2.041     0    0.028   0.028     2.247   66.786   66.786
LGA    E   136_B      E   136_C     2.187     0    0.020   0.752     3.095   68.810   65.873
LGA    P   137_B      P   137_C     1.943     0    0.556   0.632     4.367   61.905   63.129
LGA    M   138_B      M   138_C     1.384     0    0.654   1.351     6.795   64.286   50.000

# 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):     1.148          1.214                  1.896           87.027   80.469

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  147  127    4.0    127    1.15    90.748    95.870    10.178

LGA_LOCAL      RMSD:   1.148  Number of atoms:  127  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.148  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:   1.148  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.578233 * X  +  -0.336342 * Y  +  -0.743317 * Z  +  24.829676
  Y_new =   0.212168 * X  +  -0.817736 * Y  +   0.535063 * Z  +  -1.455379
  Z_new =  -0.787801 * X  +  -0.467100 * Y  +  -0.401481 * Z  +  69.226280 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.351672  0.907231 -2.280791   [DEG:   20.1493   51.9805 -130.6797 ]
ZXZ: -2.194709  1.983930 -2.105990   [DEG: -125.7476  113.6708 -120.6644 ]
 
# END of job
