
#######################################################
#                                                     #
#                        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       1.16     1.16
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127       2_C - 138_C       1.16     1.16
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79      27_C - 113_C       1.00     1.20
  LONGEST_CONTINUOUS_SEGMENT:    79      34_C - 114_C       0.99     1.21
  LCS_AVERAGE:     56.61

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      4   44   80  105  120  126  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   26  105  117  124  126  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     49   90  108  117  124  126  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     49   90  108  117  124  126  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     41   90  108  117  124  126  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     49   90  108  117  124  126  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     49   90  108  117  124  126  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     44   90  108  117  124  126  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   90  108  117  124  126  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     49   90  108  117  124  126  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     49   90  108  117  124  126  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     49   90  108  117  124  126  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     49   90  108  117  124  126  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     49   90  108  117  124  126  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     49   90  108  117  124  126  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     49   90  108  117  124  126  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     40   90  108  117  124  126  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   88  108  117  124  126  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     49   90  108  117  124  126  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     49   90  108  117  124  126  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     41   90  108  117  124  126  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     41   90  108  117  124  126  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     30   83  107  117  124  126  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     10   73  105  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    26_B     K    26_C     60  127  127      5   71  105  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    27_B     E    27_C     79  127  127      3    5  102  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    34_B     K    34_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    35_B     E    35_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    36_B     K    36_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    37_B     L    37_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    38_B     E    38_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    39_B     E    39_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    40_B     V    40_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    41_B     I    41_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    42_B     E    42_C     79  127  127     38   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    43_B     G    43_C     79  127  127     44   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    44_B     L    44_C     79  127  127     37   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    45_B     E    45_C     79  127  127     37   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    46_B     R    46_C     79  127  127     21   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    47_B     L    47_C     79  127  127      5   77  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    48_B     K    48_C     79  127  127     14   80  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    49_B     E    49_C     79  127  127     24   87  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    50_B     E    50_C     79  127  127     24   82  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    51_B     V    51_C     79  127  127     24   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    52_B     D    52_C     79  127  127      4   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    55_B     Q    55_C     79  127  127     28   88  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    56_B     L    56_C     79  127  127      6   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    57_B     N    57_C     79  127  127     34   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    58_B     M    58_C     79  127  127     40   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    59_B     N    59_C     79  127  127     35   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    60_B     L    60_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    61_B     I    61_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    62_B     V    62_C     79  127  127     20   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    63_B     F    63_C     79  127  127     16   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    64_B     E    64_C     79  127  127      9   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    65_B     G    65_C     79  127  127     24   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    66_B     L    66_C     79  127  127     35   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    67_B     E    67_C     79  127  127     34   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    68_B     V    68_C     79  127  127      6   82  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    69_B     D    69_C     79  127  127      4   39  102  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    70_B     E    70_C     79  127  127      4    8   17  102  119  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    71_B     E    71_C     79  127  127      3   49   72  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    72_B     G    72_C     79  127  127      3   19  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    73_B     R    73_C     79  127  127      6   62  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    74_B     V    74_C     79  127  127      9   49  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W    75_B     W    75_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    76_B     F    76_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    77_B     I    77_C     79  127  127     24   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    78_B     V    78_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    79_B     K    79_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    80_B     E    80_C     79  127  127     20   88  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    81_B     M    81_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    82_B     L    82_C     79  127  127     40   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H    83_B     H    83_C     79  127  127     40   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    84_B     A    84_C     79  127  127      7   68  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    85_B     T    85_C     79  127  127      7   30   86  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    86_B     T    86_C     79  127  127     10   30   98  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    87_B     E    87_C     79  127  127      7   26   98  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    88_B     E    88_C     79  127  127     16   76  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    89_B     E    89_C     79  127  127     23   84  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    90_B     A    90_C     79  127  127     17   89  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    91_B     L    91_C     79  127  127     38   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    92_B     E    92_C     79  127  127     35   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    93_B     N    93_C     79  127  127     40   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    94_B     M    94_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    95_B     D    95_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    96_B     K    96_C     79  127  127     40   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    97_B     F    97_C     79  127  127     40   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    98_B     L    98_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    99_B     E    99_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   100_B     S   100_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   101_B     W   101_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   102_B     E   102_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   103_B     K   103_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   104_B     V   104_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   105_B     F   105_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   106_B     K   106_C     79  127  127     38   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   107_B     E   107_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   108_B     L   108_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   109_B     L   109_C     79  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   110_B     E   110_C     79  127  127     36   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   111_B     Y   111_C     79  127  127     36   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   112_B     H   112_C     79  127  127     34   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   113_B     F   113_C     79  127  127     21   87  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   114_B     E   114_C     79  127  127      5   74  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   115_B     H   115_C     77  127  127      5   25   80  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N   116_B     N   116_C     61  127  127      4    9   34   73  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   119_B     S   119_C     61  127  127      3    5   55  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   120_B     P   120_C     61  127  127     22   85  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   121_B     T   121_C     61  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   122_B     F   122_C     61  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   123_B     D   123_C     61  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   124_B     F   124_C     61  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   125_B     F   125_C     61  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   126_B     L   126_C     61  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   127_B     D   127_C     61  127  127     38   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   128_B     F   128_C     61  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   129_B     L   129_C     61  127  127     49   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   130_B     W   130_C     61  127  127     49   90  108  117  124  126  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     49   90  108  117  124  126  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     34   90  108  117  124  126  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     32   90  108  117  124  126  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     21   90  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   135_B     G   135_C     49  127  127      6   38  105  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   136_B     E   136_C     49  127  127      4   38  105  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   137_B     P   137_C     49  127  127      4   68  105  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M   138_B     M   138_C     49  127  127      8   87  108  117  124  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_AVERAGE  LCS_A:  85.54  (  56.61  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     49     90    108    117    124    126    127    127    127    127    127    127    127    127    127    127    127    127    127    127 
GDT PERCENT_AT  38.58  70.87  85.04  92.13  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    0.37   0.59   0.79   0.90   1.05   1.12   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16
GDT RMS_ALL_AT   1.25   1.20   1.17   1.18   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16

# 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     3.143     0    0.574   0.565     5.798   55.357   42.925
LGA    I     3_B      I     3_C     1.862     0    0.081   0.591     3.160   75.119   69.107
LGA    Q     4_B      Q     4_C     0.649     0    0.046   1.029     5.462   88.214   68.995
LGA    E     5_B      E     5_C     0.771     0    0.013   0.112     0.981   90.476   90.476
LGA    E     6_B      E     6_C     0.812     0    0.032   0.882     3.608   90.476   79.524
LGA    I     7_B      I     7_C     0.599     0    0.034   0.135     0.912   90.476   90.476
LGA    Q     8_B      Q     8_C     0.555     0    0.010   0.833     2.111   90.476   85.661
LGA    K     9_B      K     9_C     0.780     0    0.044   1.393     9.305   90.476   60.582
LGA    K    10_B      K    10_C     0.819     0    0.082   0.871     2.476   90.476   85.608
LGA    V    11_B      V    11_C     0.582     0    0.062   0.084     1.031   92.857   91.905
LGA    R    12_B      R    12_C     0.236     0    0.117   1.388     4.244  100.000   78.658
LGA    E    13_B      E    13_C     0.513     0    0.101   0.187     1.324   95.238   89.577
LGA    L    14_B      L    14_C     0.484     0    0.108   0.099     1.340  100.000   92.976
LGA    L    15_B      L    15_C     0.623     0    0.049   0.086     0.920   90.476   90.476
LGA    E    16_B      E    16_C     0.419     0    0.116   0.313     0.835   92.857   93.651
LGA    K    17_B      K    17_C     0.422     0    0.066   0.681     3.392   95.238   80.635
LGA    L    18_B      L    18_C     0.792     0    0.076   0.229     1.259   88.214   87.083
LGA    I    19_B      I    19_C     1.397     0    0.014   0.686     1.988   81.429   78.214
LGA    E    20_B      E    20_C     1.024     0    0.000   1.004     3.503   85.952   74.656
LGA    Y    21_B      Y    21_C     0.778     0    0.045   0.922     6.703   85.952   58.452
LGA    L    22_B      L    22_C     1.045     0    0.023   0.073     1.320   83.690   85.952
LGA    E    23_B      E    23_C     1.184     0    0.063   0.944     4.681   79.286   69.735
LGA    E    24_B      E    24_C     1.751     0    0.021   1.030     5.683   72.976   59.312
LGA    L    25_B      L    25_C     1.947     0    0.128   1.347     4.741   72.857   61.964
LGA    K    26_B      K    26_C     2.053     0    0.622   0.649     3.987   59.405   55.979
LGA    E    27_B      E    27_C     1.658     0    0.599   1.019     6.943   66.905   47.937
LGA    K    34_B      K    34_C     0.997     0    0.304   0.737     2.095   84.048   77.937
LGA    E    35_B      E    35_C     1.048     0    0.045   1.641     6.316   85.952   62.751
LGA    K    36_B      K    36_C     0.865     0    0.018   1.566    10.140   90.476   57.778
LGA    L    37_B      L    37_C     0.760     0    0.026   0.143     1.177   90.476   88.214
LGA    E    38_B      E    38_C     0.687     0    0.100   0.180     1.518   92.857   86.561
LGA    E    39_B      E    39_C     0.577     0    0.025   0.803     3.742   95.238   78.413
LGA    V    40_B      V    40_C     0.467     0    0.028   0.048     0.895   97.619   94.558
LGA    I    41_B      I    41_C     0.186     0    0.054   0.102     0.566  100.000   98.810
LGA    E    42_B      E    42_C     0.329     0    0.106   0.112     0.530  100.000   96.825
LGA    G    43_B      G    43_C     0.297     0    0.041   0.041     0.361  100.000  100.000
LGA    L    44_B      L    44_C     0.448     0    0.042   1.173     3.716   97.619   79.881
LGA    E    45_B      E    45_C     0.456     0    0.116   0.998     4.098   97.619   79.206
LGA    R    46_B      R    46_C     0.786     0    0.039   0.997     2.938   90.595   81.818
LGA    L    47_B      L    47_C     1.179     0    0.060   1.076     2.899   83.690   76.369
LGA    K    48_B      K    48_C     1.149     0    0.000   0.776     2.495   81.429   77.725
LGA    E    49_B      E    49_C     1.186     0    0.154   0.697     3.264   81.429   70.688
LGA    E    50_B      E    50_C     1.224     0    0.015   0.430     1.417   81.429   84.497
LGA    V    51_B      V    51_C     0.974     0    0.149   0.182     1.267   85.952   86.599
LGA    D    52_B      D    52_C     1.028     0    0.051   0.365     2.911   77.381   71.131
LGA    Q    55_B      Q    55_C     1.046     0    0.029   0.939     2.360   83.810   78.783
LGA    L    56_B      L    56_C     0.800     0    0.090   0.227     2.118   95.238   85.179
LGA    N    57_B      N    57_C     0.596     0    0.088   0.130     1.532   95.238   88.393
LGA    M    58_B      M    58_C     0.588     0    0.139   1.060     2.450   88.214   82.798
LGA    N    59_B      N    59_C     0.612     0    0.057   0.202     0.765   95.238   95.238
LGA    L    60_B      L    60_C     0.109     0    0.086   0.147     0.681   97.619   97.619
LGA    I    61_B      I    61_C     0.584     0    0.071   0.078     0.675   90.476   90.476
LGA    V    62_B      V    62_C     0.866     0    0.022   0.106     1.035   90.476   89.184
LGA    F    63_B      F    63_C     1.047     0    0.045   0.147     1.737   81.429   79.091
LGA    E    64_B      E    64_C     0.850     0    0.009   0.965     3.800   88.214   75.291
LGA    G    65_B      G    65_C     0.684     0    0.024   0.024     0.736   90.476   90.476
LGA    L    66_B      L    66_C     0.532     0    0.056   0.105     0.709   97.619   94.048
LGA    E    67_B      E    67_C     0.513     0    0.040   0.896     2.086   88.333   82.698
LGA    V    68_B      V    68_C     1.328     0    0.040   0.049     2.211   75.119   72.993
LGA    D    69_B      D    69_C     2.050     0    0.073   1.033     5.506   62.976   56.667
LGA    E    70_B      E    70_C     3.452     0    0.028   0.797     7.023   50.119   35.979
LGA    E    71_B      E    71_C     2.130     0    0.709   0.625     4.211   57.857   67.143
LGA    G    72_B      G    72_C     1.691     0    0.132   0.132     1.985   72.857   72.857
LGA    R    73_B      R    73_C     1.262     0    0.046   0.965     3.207   81.429   72.511
LGA    V    74_B      V    74_C     1.189     0    0.112   1.035     3.012   81.429   75.714
LGA    W    75_B      W    75_C     0.664     0    0.106   0.120     0.930   90.476   90.476
LGA    F    76_B      F    76_C     0.648     0    0.065   0.308     1.100   90.476   88.831
LGA    I    77_B      I    77_C     0.821     0    0.087   0.639     3.158   90.476   84.286
LGA    V    78_B      V    78_C     0.535     0    0.074   0.131     0.760   95.238   93.197
LGA    K    79_B      K    79_C     0.607     0    0.101   0.531     2.761   88.214   81.058
LGA    E    80_B      E    80_C     1.224     0    0.079   0.924     5.843   90.595   60.053
LGA    M    81_B      M    81_C     0.579     0    0.008   1.044     5.492   95.238   73.869
LGA    L    82_B      L    82_C     0.737     0    0.207   0.240     1.880   88.452   87.202
LGA    H    83_B      H    83_C     0.767     0    0.113   0.281     1.406   88.214   85.952
LGA    A    84_B      A    84_C     1.742     0    0.092   0.126     1.898   75.000   74.571
LGA    T    85_B      T    85_C     2.471     0    0.209   0.225     3.134   64.762   61.565
LGA    T    86_B      T    86_C     2.415     0    0.056   1.034     3.585   64.762   61.701
LGA    E    87_B      E    87_C     2.363     0    0.064   1.025     3.756   66.905   60.000
LGA    E    88_B      E    88_C     1.581     0    0.052   0.977     5.383   77.143   58.360
LGA    E    89_B      E    89_C     1.313     0    0.032   0.210     3.084   85.952   73.439
LGA    A    90_B      A    90_C     0.981     0    0.057   0.057     1.287   88.214   86.857
LGA    L    91_B      L    91_C     0.634     0    0.031   0.843     3.116   95.238   86.667
LGA    E    92_B      E    92_C     0.618     0    0.037   0.293     1.335   90.476   86.455
LGA    N    93_B      N    93_C     0.535     0    0.014   1.057     3.003   95.238   86.667
LGA    M    94_B      M    94_C     0.249     0    0.029   0.093     0.714  100.000   97.619
LGA    D    95_B      D    95_C     0.261     0    0.023   0.142     0.762  100.000   97.619
LGA    K    96_B      K    96_C     0.619     0    0.015   1.256     6.758   92.857   71.799
LGA    F    97_B      F    97_C     0.554     0    0.044   0.063     0.591   95.238   92.208
LGA    L    98_B      L    98_C     0.170     0    0.049   0.133     0.601  100.000   98.810
LGA    E    99_B      E    99_C     0.260     0    0.028   0.199     1.052  100.000   95.820
LGA    S   100_B      S   100_C     0.422     0    0.053   0.080     0.462  100.000  100.000
LGA    W   101_B      W   101_C     0.424     0    0.030   1.452     5.698  100.000   73.605
LGA    E   102_B      E   102_C     0.322     0    0.035   0.220     0.583  100.000   97.884
LGA    K   103_B      K   103_C     0.296     0    0.018   0.725     2.217  100.000   88.095
LGA    V   104_B      V   104_C     0.195     0    0.016   0.096     0.488  100.000  100.000
LGA    F   105_B      F   105_C     0.651     0    0.010   0.187     1.949   92.857   84.069
LGA    K   106_B      K   106_C     0.703     0    0.033   1.009     6.961   95.238   67.884
LGA    E   107_B      E   107_C     0.259     0    0.050   0.497     1.544  100.000   92.804
LGA    L   108_B      L   108_C     0.562     0    0.009   0.105     0.825   95.238   92.857
LGA    L   109_B      L   109_C     0.420     0    0.014   0.105     1.587   97.619   89.583
LGA    E   110_B      E   110_C     0.321     0    0.037   0.126     0.919  100.000   96.825
LGA    Y   111_B      Y   111_C     0.364     0    0.069   0.094     1.329   95.238   92.183
LGA    H   112_B      H   112_C     0.500     0    0.023   1.072     3.082   92.857   82.333
LGA    F   113_B      F   113_C     1.107     0    0.112   0.928     4.838   83.690   63.247
LGA    E   114_B      E   114_C     1.693     0    0.146   0.398     2.139   72.976   73.862
LGA    H   115_B      H   115_C     2.357     0    0.146   1.154     7.049   62.857   45.286
LGA    N   116_B      N   116_C     3.111     0    0.087   0.891     3.830   51.786   50.952
LGA    S   119_B      S   119_C     2.463     0    0.043   0.644     3.678   63.452   65.238
LGA    P   120_B      P   120_C     1.100     0    0.116   0.190     2.293   83.810   76.803
LGA    T   121_B      T   121_C     0.202     0    0.047   0.090     0.742  100.000   98.639
LGA    F   122_B      F   122_C     0.407     0    0.028   0.387     1.841   95.238   87.359
LGA    D   123_B      D   123_C     0.748     0    0.101   0.242     1.773   92.857   85.000
LGA    F   124_B      F   124_C     0.641     0    0.054   0.087     0.972   90.476   90.476
LGA    F   125_B      F   125_C     0.588     0    0.062   0.135     1.443   95.238   88.918
LGA    L   126_B      L   126_C     0.648     0    0.025   0.218     0.930   90.476   90.476
LGA    D   127_B      D   127_C     0.971     0    0.058   0.256     1.963   90.476   82.738
LGA    F   128_B      F   128_C     0.683     0    0.052   0.362     1.533   90.476   87.229
LGA    L   129_B      L   129_C     0.552     0    0.016   0.152     0.678   90.476   92.857
LGA    W   130_B      W   130_C     0.727     0    0.055   0.104     1.509   88.214   84.694
LGA    W   131_B      W   131_C     0.836     0    0.043   0.107     1.094   88.214   87.245
LGA    Q   132_B      Q   132_C     0.802     0    0.091   0.536     1.753   90.476   88.519
LGA    L   133_B      L   133_C     0.827     0    0.098   0.156     1.152   88.214   88.214
LGA    Y   134_B      Y   134_C     1.111     0    0.079   0.252     1.353   81.429   85.952
LGA    G   135_B      G   135_C     1.988     0    0.027   0.027     2.166   68.810   68.810
LGA    E   136_B      E   136_C     2.061     0    0.016   0.706     2.573   70.833   67.566
LGA    P   137_B      P   137_C     1.734     0    0.556   0.634     4.090   61.905   66.599
LGA    M   138_B      M   138_C     1.310     0    0.657   1.307     6.779   67.738   49.464

# 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):     1.157          1.215                  1.920           86.781   80.022

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  147  127    4.0    127    1.16    90.748    95.828    10.107

LGA_LOCAL      RMSD:   1.157  Number of atoms:  127  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.157  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:   1.157  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.923515 * X  +   0.161416 * Y  +   0.347944 * Z  +  21.845312
  Y_new =   0.277077 * X  +   0.908034 * Y  +   0.314169 * Z  +  -3.431277
  Z_new =  -0.265233 * X  +   0.386547 * Y  +  -0.883308 * Z  +  66.311981 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.850114  0.268446  2.729088   [DEG:  163.2995   15.3808  156.3652 ]
ZXZ:  2.305228  2.653669 -0.601377   [DEG:  132.0798  152.0440  -34.4564 ]
 
# END of job
