
#######################################################
#                                                     #
#                        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       1.13     1.13
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127       2_C - 138_C       1.13     1.13
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79      34_C - 114_C       1.00     1.19
  LONGEST_CONTINUOUS_SEGMENT:    79      51_C - 133_C       1.00     1.22
  LONGEST_CONTINUOUS_SEGMENT:    79      52_C - 134_C       0.99     1.23
  LCS_AVERAGE:     58.32

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     59  127  127      4   47   89  113  122  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I     3_B     I     3_C     59  127  127      4   27  109  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q     4_B     Q     4_C     59  127  127     41   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E     5_B     E     5_C     59  127  127     43   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E     6_B     E     6_C     59  127  127     29   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I     7_B     I     7_C     59  127  127     41   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q     8_B     Q     8_C     59  127  127     43   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K     9_B     K     9_C     59  127  127     43   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    10_B     K    10_C     59  127  127     43   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    11_B     V    11_C     59  127  127     43   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    12_B     R    12_C     59  127  127     43   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    13_B     E    13_C     59  127  127     43   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    14_B     L    14_C     59  127  127     41   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    15_B     L    15_C     59  127  127     43   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    16_B     E    16_C     59  127  127     43   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    17_B     K    17_C     59  127  127     43   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    18_B     L    18_C     59  127  127     40   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    19_B     I    19_C     59  127  127     20   88  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    20_B     E    20_C     59  127  127     43   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    21_B     Y    21_C     59  127  127     40   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    22_B     L    22_C     59  127  127     22   88  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    23_B     E    23_C     59  127  127     22   88  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    24_B     E    24_C     59  127  127      9   60  107  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    25_B     L    25_C     59  127  127      9   55   92  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     59  127  127      4   20   91  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     59  127  127      3    5   97  120  124  127  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     43   90  110  120  124  127  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     43   90  110  120  124  127  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     29   90  110  120  124  127  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     29   90  110  120  124  127  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     29   90  110  120  124  127  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     29   90  110  120  124  127  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     26   90  110  120  124  127  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     31   90  110  120  124  127  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     21   90  110  120  124  127  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     26   90  110  120  124  127  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     21   90  110  120  124  127  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     15   90  110  120  124  127  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     17   63  110  120  124  127  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      4   63  110  120  124  127  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     17   63  110  120  124  127  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     14   63  110  120  124  127  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     16   68  110  120  124  127  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     21   90  110  120  124  127  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     40   90  110  120  124  127  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     30   88  110  120  124  127  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     22   90  110  120  124  127  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     28   90  110  120  124  127  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     32   90  110  120  124  127  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     31   90  110  120  124  127  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     41   90  110  120  124  127  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     43   90  110  120  124  127  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     43   90  110  120  124  127  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     38   90  110  120  124  127  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     19   90  110  120  124  127  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     43   90  110  120  124  127  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     43   90  110  120  124  127  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     30   90  110  120  124  127  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     16   90  110  120  124  127  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   50  109  120  124  127  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   12   26  113  124  127  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     21   79  110  120  124  127  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   83  110  120  124  127  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   90  110  120  124  127  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     15   90  110  120  124  127  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     43   90  110  120  124  127  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     43   90  110  120  124  127  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     43   90  110  120  124  127  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     43   90  110  120  124  127  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     43   90  110  120  124  127  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     43   90  110  120  124  127  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     41   90  110  120  124  127  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     33   90  110  120  124  127  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     33   90  110  120  124  127  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   61  110  120  124  127  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   49   87  120  124  127  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      7   30   87  120  124  127  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   30   66  119  124  127  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      7   74  110  120  124  127  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     15   81  110  120  124  127  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     25   86  110  120  124  127  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     30   89  110  120  124  127  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     31   90  110  120  124  127  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     33   90  110  120  124  127  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     40   90  110  120  124  127  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     40   90  110  120  124  127  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     33   90  110  120  124  127  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     33   90  110  120  124  127  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     41   90  110  120  124  127  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     41   90  110  120  124  127  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     41   90  110  120  124  127  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     33   90  110  120  124  127  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     40   90  110  120  124  127  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     43   90  110  120  124  127  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     43   90  110  120  124  127  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     33   90  110  120  124  127  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     20   90  110  120  124  127  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     43   90  110  120  124  127  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     43   90  110  120  124  127  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     43   90  110  120  124  127  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     43   90  110  120  124  127  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     43   90  110  120  124  127  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     31   90  110  120  124  127  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     16   90  110  120  124  127  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   83  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   115_B     H   115_C     79  127  127      5   10   97  119  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N   116_B     N   116_C     79  127  127      5   10   26  113  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   119_B     S   119_C     79  127  127      3   61  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   120_B     P   120_C     79  127  127     25   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   121_B     T   121_C     79  127  127     43   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   122_B     F   122_C     79  127  127     43   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   123_B     D   123_C     79  127  127     43   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   124_B     F   124_C     79  127  127     43   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   125_B     F   125_C     79  127  127     43   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   126_B     L   126_C     79  127  127     43   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   127_B     D   127_C     79  127  127     43   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   128_B     F   128_C     79  127  127     43   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   129_B     L   129_C     79  127  127     43   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   130_B     W   130_C     79  127  127     43   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   131_B     W   131_C     79  127  127     43   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   132_B     Q   132_C     79  127  127     43   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   133_B     L   133_C     79  127  127     34   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   134_B     Y   134_C     79  127  127     43   90  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   135_B     G   135_C     62  127  127      8   76  110  120  124  127  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   76  110  120  124  127  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   78  110  120  124  127  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      4   81  110  120  124  127  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_AVERAGE  LCS_A:  86.11  (  58.32  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     43     90    110    120    124    127    127    127    127    127    127    127    127    127    127    127    127    127    127    127 
GDT PERCENT_AT  33.86  70.87  86.61  94.49  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    0.33   0.67   0.83   0.97   1.05   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13
GDT RMS_ALL_AT   1.35   1.16   1.15   1.14   1.14   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13

# Checking swapping
#   possible swapping detected:  E     5_B      E     5_C
#   possible swapping detected:  E     6_B      E     6_C
#   possible swapping detected:  E    13_B      E    13_C
#   possible swapping detected:  E    16_B      E    16_C
#   possible swapping detected:  E    20_B      E    20_C
#   possible swapping detected:  Y    21_B      Y    21_C
#   possible swapping detected:  E    23_B      E    23_C
#   possible swapping detected:  E    24_B      E    24_C
#   possible swapping detected:  E    27_B      E    27_C
#   possible swapping detected:  E    38_B      E    38_C
#   possible swapping detected:  E    39_B      E    39_C
#   possible swapping detected:  E    42_B      E    42_C
#   possible swapping detected:  E    50_B      E    50_C
#   possible swapping detected:  E    64_B      E    64_C
#   possible swapping detected:  E    70_B      E    70_C
#   possible swapping detected:  E    71_B      E    71_C
#   possible swapping detected:  F    76_B      F    76_C
#   possible swapping detected:  E    89_B      E    89_C
#   possible swapping detected:  E    92_B      E    92_C
#   possible swapping detected:  F    97_B      F    97_C
#   possible swapping detected:  E    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     3.014     0    0.568   0.557     5.642   55.357   42.925
LGA    I     3_B      I     3_C     1.789     0    0.080   0.593     3.322   75.119   69.107
LGA    Q     4_B      Q     4_C     0.592     0    0.043   1.060     5.614   90.476   70.529
LGA    E     5_B      E     5_C     0.675     0    0.011   0.165     0.867   90.476   90.476
LGA    E     6_B      E     6_C     0.763     0    0.031   0.881     3.495   90.476   80.265
LGA    I     7_B      I     7_C     0.559     0    0.037   0.119     0.921   95.238   92.857
LGA    Q     8_B      Q     8_C     0.511     0    0.011   0.859     2.218   92.857   86.720
LGA    K     9_B      K     9_C     0.748     0    0.036   1.391     9.248   90.476   61.376
LGA    K    10_B      K    10_C     0.738     0    0.089   0.867     2.260   90.476   86.614
LGA    V    11_B      V    11_C     0.466     0    0.051   0.074     0.893   97.619   95.918
LGA    R    12_B      R    12_C     0.289     0    0.117   1.369     2.722  100.000   84.069
LGA    E    13_B      E    13_C     0.446     0    0.128   0.307     1.641   97.619   89.683
LGA    L    14_B      L    14_C     0.469     0    0.110   0.102     1.540  100.000   90.774
LGA    L    15_B      L    15_C     0.422     0    0.057   0.089     0.656  100.000   95.238
LGA    E    16_B      E    16_C     0.160     0    0.131   0.349     0.769   97.619   96.825
LGA    K    17_B      K    17_C     0.381     0    0.070   0.230     1.937   97.619   89.788
LGA    L    18_B      L    18_C     0.663     0    0.088   0.279     1.429   92.857   89.405
LGA    I    19_B      I    19_C     1.217     0    0.013   0.681     1.809   83.690   79.345
LGA    E    20_B      E    20_C     0.989     0    0.015   0.197     1.837   90.476   84.550
LGA    Y    21_B      Y    21_C     0.802     0    0.044   0.945     6.794   85.952   58.452
LGA    L    22_B      L    22_C     1.108     0    0.020   0.069     1.447   83.690   85.952
LGA    E    23_B      E    23_C     1.283     0    0.063   0.946     4.822   77.143   67.989
LGA    E    24_B      E    24_C     1.986     0    0.021   1.014     5.748   68.810   54.974
LGA    L    25_B      L    25_C     2.263     0    0.136   1.352     5.123   64.762   55.417
LGA    K    26_B      K    26_C     2.362     0    0.619   0.642     4.242   57.857   53.651
LGA    E    27_B      E    27_C     1.874     0    0.602   1.031     6.880   66.905   48.413
LGA    K    34_B      K    34_C     1.056     0    0.306   0.733     2.274   81.786   76.931
LGA    E    35_B      E    35_C     0.879     0    0.044   1.644     6.332   90.476   65.767
LGA    K    36_B      K    36_C     1.028     0    0.019   1.556    10.463   83.690   53.968
LGA    L    37_B      L    37_C     0.984     0    0.034   0.153     1.504   88.214   84.881
LGA    E    38_B      E    38_C     0.724     0    0.099   0.165     1.355   92.857   88.519
LGA    E    39_B      E    39_C     0.882     0    0.023   0.795     3.147   90.476   79.418
LGA    V    40_B      V    40_C     0.909     0    0.021   0.068     1.311   90.476   89.184
LGA    I    41_B      I    41_C     0.388     0    0.050   0.104     0.580   95.238   97.619
LGA    E    42_B      E    42_C     0.884     0    0.110   0.107     1.221   90.476   85.450
LGA    G    43_B      G    43_C     0.725     0    0.038   0.038     0.848   90.476   90.476
LGA    L    44_B      L    44_C     0.795     0    0.051   1.172     3.693   88.214   75.179
LGA    E    45_B      E    45_C     0.973     0    0.122   0.978     3.766   88.214   74.815
LGA    R    46_B      R    46_C     1.304     0    0.029   1.013     4.207   79.286   70.476
LGA    L    47_B      L    47_C     1.235     0    0.063   0.988     2.084   83.690   79.405
LGA    K    48_B      K    48_C     1.399     0    0.025   0.760     2.889   77.143   73.175
LGA    E    49_B      E    49_C     1.417     0    0.127   0.681     3.669   77.143   64.868
LGA    E    50_B      E    50_C     1.357     0    0.009   0.375     1.723   81.429   79.577
LGA    V    51_B      V    51_C     1.067     0    0.146   0.173     1.303   83.690   84.014
LGA    D    52_B      D    52_C     0.678     0    0.045   0.334     2.612   86.190   78.631
LGA    Q    55_B      Q    55_C     0.955     0    0.030   0.968     2.848   85.952   78.836
LGA    L    56_B      L    56_C     0.751     0    0.031   0.241     1.893   92.857   85.000
LGA    N    57_B      N    57_C     0.597     0    0.061   0.120     1.628   95.238   87.262
LGA    M    58_B      M    58_C     0.602     0    0.119   1.066     2.453   88.214   82.798
LGA    N    59_B      N    59_C     0.582     0    0.059   0.210     0.741   92.857   92.857
LGA    L    60_B      L    60_C     0.137     0    0.106   0.167     0.674   97.619   97.619
LGA    I    61_B      I    61_C     0.846     0    0.033   0.075     1.022   90.476   89.345
LGA    V    62_B      V    62_C     1.109     0    0.019   0.097     1.286   85.952   84.014
LGA    F    63_B      F    63_C     1.154     0    0.041   0.233     2.159   79.286   76.061
LGA    E    64_B      E    64_C     0.967     0    0.026   0.992     3.998   85.952   73.280
LGA    G    65_B      G    65_C     0.828     0    0.033   0.033     0.843   90.476   90.476
LGA    L    66_B      L    66_C     0.566     0    0.053   0.094     0.584   90.476   94.048
LGA    E    67_B      E    67_C     0.387     0    0.028   0.880     2.299   92.976   85.820
LGA    V    68_B      V    68_C     1.086     0    0.049   0.080     1.945   79.405   79.048
LGA    D    69_B      D    69_C     1.905     0    0.079   1.035     5.094   70.952   61.250
LGA    E    70_B      E    70_C     3.028     0    0.026   0.796     7.032   57.262   40.529
LGA    E    71_B      E    71_C     1.302     0    0.706   0.622     3.584   67.619   79.312
LGA    G    72_B      G    72_C     1.326     0    0.116   0.116     1.685   79.286   79.286
LGA    R    73_B      R    73_C     0.919     0    0.045   0.981     4.347   90.476   75.455
LGA    V    74_B      V    74_C     0.877     0    0.105   1.046     3.051   88.214   80.816
LGA    W    75_B      W    75_C     0.823     0    0.085   0.092     1.348   90.476   86.599
LGA    F    76_B      F    76_C     0.743     0    0.060   0.322     1.128   90.476   88.831
LGA    I    77_B      I    77_C     0.895     0    0.078   0.628     3.227   90.476   84.286
LGA    V    78_B      V    78_C     0.586     0    0.072   0.140     0.803   90.476   90.476
LGA    K    79_B      K    79_C     0.728     0    0.099   0.551     3.162   88.214   78.466
LGA    E    80_B      E    80_C     1.221     0    0.077   0.895     5.430   90.595   61.799
LGA    M    81_B      M    81_C     0.733     0    0.011   1.050     5.557   90.476   69.762
LGA    L    82_B      L    82_C     0.682     0    0.188   0.220     1.797   86.071   88.274
LGA    H    83_B      H    83_C     0.694     0    0.095   0.284     1.526   90.476   86.905
LGA    A    84_B      A    84_C     1.683     0    0.082   0.106     1.875   75.000   74.571
LGA    T    85_B      T    85_C     2.291     0    0.188   0.209     2.907   64.762   62.585
LGA    T    86_B      T    86_C     2.389     0    0.054   0.945     3.510   64.762   60.612
LGA    E    87_B      E    87_C     2.482     0    0.067   1.029     3.770   64.881   58.360
LGA    E    88_B      E    88_C     1.765     0    0.040   0.944     5.278   72.976   55.608
LGA    E    89_B      E    89_C     1.374     0    0.040   0.247     3.018   81.548   71.481
LGA    A    90_B      A    90_C     1.126     0    0.062   0.062     1.476   85.952   85.048
LGA    L    91_B      L    91_C     0.807     0    0.028   0.838     3.009   90.595   83.214
LGA    E    92_B      E    92_C     0.668     0    0.035   0.307     1.289   90.476   86.455
LGA    N    93_B      N    93_C     0.560     0    0.013   1.060     2.993   95.238   87.560
LGA    M    94_B      M    94_C     0.389     0    0.041   0.093     0.793   97.619   95.238
LGA    D    95_B      D    95_C     0.384     0    0.024   0.146     0.901  100.000   96.429
LGA    K    96_B      K    96_C     0.611     0    0.013   1.278     6.748   92.857   72.540
LGA    F    97_B      F    97_C     0.550     0    0.046   0.116     0.641   95.238   92.208
LGA    L    98_B      L    98_C     0.299     0    0.055   0.078     0.478  100.000  100.000
LGA    E    99_B      E    99_C     0.320     0    0.029   0.181     0.877  100.000   96.825
LGA    S   100_B      S   100_C     0.366     0    0.057   0.083     0.445  100.000  100.000
LGA    W   101_B      W   101_C     0.660     0    0.029   1.513     5.727   90.476   70.204
LGA    E   102_B      E   102_C     0.589     0    0.038   0.159     0.869   92.857   92.593
LGA    K   103_B      K   103_C     0.313     0    0.019   0.709     2.049  100.000   88.995
LGA    V   104_B      V   104_C     0.319     0    0.020   0.079     0.841   95.238   93.197
LGA    F   105_B      F   105_C     0.869     0    0.006   0.177     2.382   90.476   77.836
LGA    K   106_B      K   106_C     0.803     0    0.034   1.042     7.110   92.857   66.455
LGA    E   107_B      E   107_C     0.292     0    0.049   0.497     1.732  100.000   93.862
LGA    L   108_B      L   108_C     0.705     0    0.016   0.088     0.968   90.476   90.476
LGA    L   109_B      L   109_C     0.604     0    0.019   0.112     1.813   95.238   88.393
LGA    E   110_B      E   110_C     0.283     0    0.036   0.132     0.609  100.000   98.942
LGA    Y   111_B      Y   111_C     0.234     0    0.066   0.109     1.272   97.619   92.143
LGA    H   112_B      H   112_C     0.309     0    0.029   1.136     2.809   97.619   86.619
LGA    F   113_B      F   113_C     1.005     0    0.113   0.959     4.809   86.071   65.411
LGA    E   114_B      E   114_C     1.423     0    0.145   0.391     1.753   77.143   77.619
LGA    H   115_B      H   115_C     2.260     0    0.148   1.153     6.627   66.786   49.429
LGA    N   116_B      N   116_C     2.859     0    0.107   0.801     4.248   53.571   51.071
LGA    S   119_B      S   119_C     1.757     0    0.086   0.188     2.990   71.071   76.190
LGA    P   120_B      P   120_C     0.778     0    0.063   0.130     1.687   92.976   85.578
LGA    T   121_B      T   121_C     0.383     0    0.025   0.087     1.006   97.619   94.626
LGA    F   122_B      F   122_C     0.532     0    0.045   0.368     1.825   90.476   85.628
LGA    D   123_B      D   123_C     0.588     0    0.100   0.185     1.549   92.857   87.202
LGA    F   124_B      F   124_C     0.609     0    0.047   0.087     1.246   90.476   87.186
LGA    F   125_B      F   125_C     0.837     0    0.101   0.154     2.569   90.476   76.407
LGA    L   126_B      L   126_C     0.756     0    0.017   0.180     1.587   90.476   87.143
LGA    D   127_B      D   127_C     0.795     0    0.044   0.192     1.527   90.476   84.881
LGA    F   128_B      F   128_C     0.738     0    0.062   0.365     1.308   90.476   88.831
LGA    L   129_B      L   129_C     0.675     0    0.008   0.143     0.828   90.476   94.048
LGA    W   130_B      W   130_C     0.785     0    0.052   0.134     1.571   88.214   84.728
LGA    W   131_B      W   131_C     0.799     0    0.044   0.158     1.291   90.476   87.891
LGA    Q   132_B      Q   132_C     0.863     0    0.074   0.707     1.998   90.476   87.513
LGA    L   133_B      L   133_C     0.753     0    0.113   0.156     1.161   88.214   89.405
LGA    Y   134_B      Y   134_C     1.000     0    0.076   0.281     1.208   85.952   86.706
LGA    G   135_B      G   135_C     1.686     0    0.022   0.022     1.702   72.857   72.857
LGA    E   136_B      E   136_C     1.657     0    0.018   0.721     2.592   77.143   73.069
LGA    P   137_B      P   137_C     1.472     0    0.555   0.632     3.881   69.762   74.762
LGA    M   138_B      M   138_C     1.284     0    0.657   1.164     6.547   69.405   49.583

# 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):     1.133          1.184                  1.909           86.620   79.987

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  147  127    4.0    127    1.13    91.339    96.160    10.299

LGA_LOCAL      RMSD:   1.133  Number of atoms:  127  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.133  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:   1.133  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.939115 * X  +  -0.145996 * Y  +  -0.311044 * Z  +  23.941166
  Y_new =   0.326838 * X  +   0.658872 * Y  +   0.677543 * Z  +  -2.099019
  Z_new =   0.106019 * X  +  -0.737952 * Y  +   0.666473 * Z  +  69.280006 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.334917 -0.106219 -0.836249   [DEG:   19.1893   -6.0859  -47.9136 ]
ZXZ: -2.711216  0.841328  2.998902   [DEG: -155.3412   48.2045  171.8244 ]
 
# END of job
