
#######################################################
#                                                     #
#                        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  131 (  981),  selected  121 , name one
# Molecule2: number of CA atoms  121 (  907),  selected  121 , 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:   121      11_C - 131_C       1.16     1.16
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       1.16     1.16
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81      50_C - 130_C       0.97     1.19
  LCS_AVERAGE:     59.78

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  121
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     H    11_B     H    11_C     37  121  121     30   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    12_B     T    12_C     37  121  121     40   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    13_B     D    13_C     37  121  121     30   75  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    14_B     K    14_C     37  121  121     30   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    15_B     L    15_C     37  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     W    16_B     W    16_C     37  121  121     30   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    17_B     Y    17_C     37  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    18_B     I    18_C     37  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    19_B     L    19_C     37  121  121     20   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    20_B     Q    20_C     37  121  121      6   73  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    21_B     E    21_C     37  121  121      6   47  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    22_B     L    22_C     37  121  121      3   25   92  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    23_B     T    23_C     37  121  121      9   68  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    24_B     S    24_C     37  121  121     17   79  104  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    25_B     N    25_C     37  121  121      5    6   11   80  111  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    26_B     R    26_C     39  121  121      3   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    27_B     G    27_C     42  121  121      5   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    28_B     D    28_C     49  121  121     15   54  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    29_B     I    29_C     69  121  121     18   69  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    30_B     Q    30_C     69  121  121     18   71  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    31_B     G    31_C     69  121  121     26   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     C    32_B     C    32_C     69  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    33_B     T    33_C     69  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    34_B     I    34_C     69  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    35_B     V    35_C     69  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    36_B     T    36_C     69  121  121     36   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    37_B     T    37_C     69  121  121     22   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    38_B     Q    38_C     69  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    39_B     G    39_C     69  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    40_B     L    40_C     69  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    41_B     P    41_C     69  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    42_B     I    42_C     69  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    43_B     T    43_C     69  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    44_B     S    44_C     69  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    45_B     L    45_C     69  121  121      9   63  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    46_B     L    46_C     69  121  121      9   26  102  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    47_B     A    47_C     69  121  121      3   21   42   90  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    48_B     D    48_C     69  121  121      3    3   61  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    49_B     D    49_C     69  121  121      6   22   57   96  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    50_B     A    50_C     81  121  121     18   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    51_B     N    51_C     81  121  121     14   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    52_B     V    52_C     81  121  121     14   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    53_B     S    53_C     81  121  121     14   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    54_B     L    54_C     81  121  121     18   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    55_B     I    55_C     81  121  121     18   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    56_B     S    56_C     81  121  121     18   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    57_B     A    57_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M    58_B     M    58_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    59_B     S    59_C     81  121  121     30   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    60_B     A    60_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    61_B     A    61_C     81  121  121     26   79  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    62_B     I    62_C     81  121  121     10   58  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    63_B     I    63_C     81  121  121     11   79  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    64_B     S    64_C     81  121  121     15   79  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    65_B     V    65_C     81  121  121     11   58  104  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    66_B     A    66_C     81  121  121     10   48  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    67_B     E    67_C     81  121  121     30   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    68_B     S    68_C     81  121  121      9   58  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    69_B     A    69_C     81  121  121     11   26  100  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    70_B     S    70_C     81  121  121     17   74  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    71_B     Q    71_C     81  121  121     30   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    72_B     E    72_C     81  121  121      9   59  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    73_B     L    73_C     81  121  121      9   69  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    74_B     Q    74_C     81  121  121     17   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    75_B     R    75_C     81  121  121     26   79  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    76_B     G    76_C     81  121  121     26   74  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    77_B     Y    77_C     81  121  121     12   61  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    78_B     L    78_C     81  121  121      8   73  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    79_B     Q    79_C     81  121  121     30   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    80_B     R    80_C     81  121  121     34   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    81_B     I    81_C     81  121  121     29   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    82_B     L    82_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    83_B     L    83_C     81  121  121     10   76  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    84_B     E    84_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    85_B     G    85_C     81  121  121     24   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    86_B     E    86_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    87_B     L    87_C     81  121  121     20   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    88_B     G    88_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    89_B     T    89_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    90_B     I    90_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    91_B     I    91_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    92_B     I    92_C     81  121  121     12   79  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    93_B     S    93_C     81  121  121     29   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    94_B     K    94_C     81  121  121     30   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    95_B     A    95_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    96_B     G    96_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    97_B     P    97_C     81  121  121     36   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     H    98_B     H    98_C     81  121  121      4   29   89  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    99_B     A    99_C     81  121  121     16   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   100_B     I   100_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   101_B     L   101_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   102_B     V   102_C     81  121  121     40   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S   103_B     S   103_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   104_B     L   104_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   105_B     V   105_C     81  121  121     18   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   106_B     D   106_C     81  121  121      9   68  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   107_B     K   107_C     81  121  121      3   79  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   108_B     D   108_C     81  121  121      3   59  106  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   109_B     A   109_C     81  121  121     15   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   110_B     K   110_C     81  121  121     15   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   111_B     L   111_C     81  121  121     15   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G   112_B     G   112_C     81  121  121     14   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   113_B     I   113_C     81  121  121     12   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   114_B     I   114_C     81  121  121      9   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   115_B     L   115_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   116_B     M   116_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   117_B     L   117_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   118_B     I   118_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   119_B     D   119_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   120_B     K   120_C     81  121  121     40   79  106  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   121_B     A   121_C     81  121  121     22   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   122_B     I   122_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   123_B     K   123_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q   124_B     Q   124_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   125_B     I   125_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   126_B     A   126_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E   127_B     E   127_C     81  121  121     15   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   128_B     L   128_C     81  121  121     41   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   129_B     M   129_C     81  121  121     17   81  107  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   130_B     D   130_C     81  121  121      9   46  106  116  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   131_B     A   131_C     58  121  121      0    3    3   60  107  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_AVERAGE  LCS_A:  86.59  (  59.78  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     41     81    107    116    119    120    121    121    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  33.88  66.94  88.43  95.87  98.35  99.17 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.66   0.91   1.00   1.07   1.11   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   1.38   1.23   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   1.16   1.16

# Checking swapping
#   possible swapping detected:  D    49_B      D    49_C
#   possible swapping detected:  E    84_B      E    84_C
#   possible swapping detected:  E    86_B      E    86_C
#   possible swapping detected:  D   106_B      D   106_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    11_B      H    11_C     0.785     0    0.159   1.606     5.598   88.214   63.619
LGA    T    12_B      T    12_C     0.860     0    0.034   1.153     3.160   85.952   78.435
LGA    D    13_B      D    13_C     1.357     0    0.059   0.926     3.376   81.429   72.262
LGA    K    14_B      K    14_C     1.075     0    0.044   1.155     4.224   85.952   72.328
LGA    L    15_B      L    15_C     0.605     0    0.031   0.264     1.252   90.476   89.345
LGA    W    16_B      W    16_C     0.982     0    0.089   1.107     6.569   90.476   54.082
LGA    Y    17_B      Y    17_C     0.738     0    0.042   1.238    10.489   90.476   49.841
LGA    I    18_B      I    18_C     0.501     0    0.029   1.308     4.291   95.238   79.821
LGA    L    19_B      L    19_C     0.816     0    0.052   1.416     3.545   90.595   80.179
LGA    Q    20_B      Q    20_C     1.127     0    0.070   1.379     5.729   83.690   67.937
LGA    E    21_B      E    21_C     1.408     0    0.075   0.916     4.611   79.286   67.619
LGA    L    22_B      L    22_C     1.928     0    0.086   1.109     3.386   72.857   72.262
LGA    T    23_B      T    23_C     1.502     0    0.069   0.198     2.610   81.667   74.490
LGA    S    24_B      S    24_C     1.495     0    0.036   0.074     2.644   73.452   70.556
LGA    N    25_B      N    25_C     3.162     0    0.118   1.307     7.935   57.262   40.119
LGA    R    26_B      R    26_C     1.093     0    0.200   0.972     4.349   83.810   72.900
LGA    G    27_B      G    27_C     1.135     0    0.738   0.738     3.050   73.571   73.571
LGA    D    28_B      D    28_C     1.690     0    0.058   1.195     6.254   77.143   59.107
LGA    I    29_B      I    29_C     1.305     0    0.073   1.435     4.728   79.286   67.143
LGA    Q    30_B      Q    30_C     1.136     0    0.096   0.595     4.413   85.952   73.915
LGA    G    31_B      G    31_C     0.393     0    0.038   0.038     0.650   97.619   97.619
LGA    C    32_B      C    32_C     0.468     0    0.082   0.782     2.255   92.976   87.857
LGA    T    33_B      T    33_C     0.384     0    0.039   1.009     2.394  100.000   89.932
LGA    I    34_B      I    34_C     0.279     0    0.037   0.637     2.207  100.000   95.595
LGA    V    35_B      V    35_C     0.362     0    0.034   0.060     0.513   97.619   98.639
LGA    T    36_B      T    36_C     0.492     0    0.054   1.088     2.477   95.238   87.211
LGA    T    37_B      T    37_C     0.850     0    0.071   1.046     3.341   88.214   78.435
LGA    Q    38_B      Q    38_C     0.529     0    0.130   1.227     4.130   92.857   76.243
LGA    G    39_B      G    39_C     0.646     0    0.054   0.054     0.734   90.476   90.476
LGA    L    40_B      L    40_C     0.528     0    0.035   0.136     0.710   95.238   94.048
LGA    P    41_B      P    41_C     0.458     0    0.079   0.342     1.173   95.238   94.626
LGA    I    42_B      I    42_C     0.226     0    0.015   0.069     0.283  100.000  100.000
LGA    T    43_B      T    43_C     0.469     0    0.084   0.169     0.852   95.238   94.558
LGA    S    44_B      S    44_C     0.612     0    0.072   0.080     0.983   92.857   92.063
LGA    L    45_B      L    45_C     1.449     0    0.316   0.842     4.117   73.690   72.083
LGA    L    46_B      L    46_C     1.822     0    0.109   0.956     3.273   69.048   65.119
LGA    A    47_B      A    47_C     2.785     0    0.201   0.260     4.253   75.714   68.000
LGA    D    48_B      D    48_C     1.990     0    0.259   1.201     7.398   75.476   49.762
LGA    D    49_B      D    49_C     2.789     0    0.321   1.337     7.859   71.071   44.167
LGA    A    50_B      A    50_C     0.693     0    0.122   0.126     1.054   90.595   90.571
LGA    N    51_B      N    51_C     0.710     0    0.036   0.873     3.434   90.476   78.036
LGA    V    52_B      V    52_C     1.084     0    0.033   0.136     1.486   83.690   82.721
LGA    S    53_B      S    53_C     1.109     0    0.026   0.605     1.618   81.429   80.000
LGA    L    54_B      L    54_C     1.073     0    0.024   1.412     4.101   81.429   68.333
LGA    I    55_B      I    55_C     1.029     0    0.026   1.300     3.443   83.690   73.690
LGA    S    56_B      S    56_C     0.833     0    0.067   0.168     0.925   90.476   92.063
LGA    A    57_B      A    57_C     0.939     0    0.026   0.042     0.999   90.476   90.476
LGA    M    58_B      M    58_C     0.810     0    0.023   1.180     5.676   90.476   71.964
LGA    S    59_B      S    59_C     0.944     0    0.030   0.042     1.302   90.476   87.460
LGA    A    60_B      A    60_C     0.568     0    0.044   0.060     0.649   90.476   90.476
LGA    A    61_B      A    61_C     1.005     0    0.039   0.056     1.281   83.690   83.238
LGA    I    62_B      I    62_C     1.492     0    0.039   0.096     2.166   79.286   75.060
LGA    I    63_B      I    63_C     0.946     0    0.025   0.903     3.301   85.952   76.726
LGA    S    64_B      S    64_C     0.877     0    0.068   0.665     2.777   88.214   83.413
LGA    V    65_B      V    65_C     1.736     0    0.028   1.193     4.759   75.000   65.850
LGA    A    66_B      A    66_C     1.616     0    0.034   0.038     1.882   77.143   76.286
LGA    E    67_B      E    67_C     0.290     0    0.037   0.767     3.733   95.238   79.471
LGA    S    68_B      S    68_C     1.556     0    0.033   0.068     2.263   75.000   71.587
LGA    A    69_B      A    69_C     2.027     0    0.035   0.042     2.652   72.976   69.810
LGA    S    70_B      S    70_C     1.004     0    0.049   0.583     2.531   90.714   83.571
LGA    Q    71_B      Q    71_C     0.618     0    0.026   1.300     4.483   92.857   78.783
LGA    E    72_B      E    72_C     1.621     0    0.067   0.849     6.347   79.286   55.503
LGA    L    73_B      L    73_C     1.521     0    0.219   0.293     3.602   81.548   66.845
LGA    Q    74_B      Q    74_C     0.695     0    0.070   1.061     2.993   90.476   82.910
LGA    R    75_B      R    75_C     0.772     0    0.291   1.175     3.727   81.786   74.199
LGA    G    76_B      G    76_C     0.999     0    0.108   0.108     1.458   85.952   85.952
LGA    Y    77_B      Y    77_C     1.461     0    0.044   1.028     6.987   81.429   56.190
LGA    L    78_B      L    78_C     1.070     0    0.034   0.072     1.261   83.690   82.560
LGA    Q    79_B      Q    79_C     0.498     0    0.183   1.084     3.763   95.238   84.497
LGA    R    80_B      R    80_C     0.533     0    0.080   1.192     4.336   90.476   74.502
LGA    I    81_B      I    81_C     0.678     0    0.021   1.167     2.448   90.476   80.833
LGA    L    82_B      L    82_C     0.467     0    0.116   1.381     3.853   95.238   79.583
LGA    L    83_B      L    83_C     1.116     0    0.104   0.931     4.481   88.214   74.107
LGA    E    84_B      E    84_C     0.629     0    0.167   0.923     3.695   90.476   73.333
LGA    G    85_B      G    85_C     0.793     0    0.074   0.074     0.915   90.476   90.476
LGA    E    86_B      E    86_C     0.262     0    0.123   1.120     6.226   95.238   68.677
LGA    L    87_B      L    87_C     0.701     0    0.211   1.036     4.089   92.857   81.667
LGA    G    88_B      G    88_C     0.676     0    0.086   0.086     0.700   90.476   90.476
LGA    T    89_B      T    89_C     0.578     0    0.073   0.925     2.420   90.476   85.510
LGA    I    90_B      I    90_C     0.615     0    0.058   1.397     3.575   90.476   75.357
LGA    I    91_B      I    91_C     0.410     0    0.047   0.108     0.576   97.619   96.429
LGA    I    92_B      I    92_C     1.006     0    0.131   0.163     1.501   83.690   81.488
LGA    S    93_B      S    93_C     0.702     0    0.043   0.607     1.980   90.476   87.540
LGA    K    94_B      K    94_C     0.451     0    0.019   0.854     3.668   95.238   77.090
LGA    A    95_B      A    95_C     0.675     0    0.066   0.072     0.916   92.857   92.381
LGA    G    96_B      G    96_C     0.818     0    0.036   0.036     0.818   92.857   92.857
LGA    P    97_B      P    97_C     0.596     0    0.140   0.311     1.732   83.810   86.667
LGA    H    98_B      H    98_C     2.299     0    0.233   0.256     6.037   72.976   45.762
LGA    A    99_B      A    99_C     0.989     0    0.043   0.043     1.355   88.214   86.857
LGA    I   100_B      I   100_C     0.272     0    0.047   0.123     0.868  100.000   97.619
LGA    L   101_B      L   101_C     0.493     0    0.039   0.120     0.845  100.000   95.238
LGA    V   102_B      V   102_C     0.675     0    0.057   0.080     0.907   90.476   90.476
LGA    S   103_B      S   103_C     0.337     0    0.082   0.687     2.907  100.000   91.270
LGA    L   104_B      L   104_C     0.400     0    0.084   0.112     0.687  100.000   97.619
LGA    V   105_B      V   105_C     0.860     0    0.062   0.170     1.522   90.476   86.667
LGA    D   106_B      D   106_C     1.364     0    0.100   1.132     2.697   85.952   74.464
LGA    K   107_B      K   107_C     1.127     0    0.044   0.792     4.969   81.548   66.138
LGA    D   108_B      D   108_C     1.855     0    0.243   0.770     4.362   79.286   62.262
LGA    A   109_B      A   109_C     0.841     0    0.022   0.040     1.144   88.214   88.667
LGA    K   110_B      K   110_C     0.626     0    0.024   1.193     6.528   90.476   67.672
LGA    L   111_B      L   111_C     0.833     0    0.059   0.226     0.963   90.476   90.476
LGA    G   112_B      G   112_C     1.176     0    0.051   0.051     1.289   83.690   83.690
LGA    I   113_B      I   113_C     1.214     0    0.037   0.629     3.008   81.429   76.429
LGA    I   114_B      I   114_C     1.169     0    0.036   0.624     2.436   81.429   79.345
LGA    L   115_B      L   115_C     1.113     0    0.044   1.449     4.137   83.690   67.560
LGA    M   116_B      M   116_C     1.095     0    0.029   0.891     3.059   81.429   77.500
LGA    L   117_B      L   117_C     1.103     0    0.031   1.484     4.594   81.429   68.214
LGA    I   118_B      I   118_C     0.785     0    0.062   0.148     1.347   90.476   88.214
LGA    D   119_B      D   119_C     0.932     0    0.027   0.894     3.440   85.952   72.798
LGA    K   120_B      K   120_C     1.373     0    0.050   0.820     2.835   81.429   74.127
LGA    A   121_B      A   121_C     1.043     0    0.026   0.038     1.072   85.952   85.048
LGA    I   122_B      I   122_C     0.666     0    0.029   1.615     3.539   90.476   76.310
LGA    K   123_B      K   123_C     0.982     0    0.039   1.000     4.868   90.476   76.190
LGA    Q   124_B      Q   124_C     0.938     0    0.029   1.389     6.357   90.476   68.042
LGA    I   125_B      I   125_C     0.328     0    0.047   1.315     3.637   97.619   82.917
LGA    A   126_B      A   126_C     0.450     0    0.031   0.042     0.960   95.238   96.190
LGA    E   127_B      E   127_C     1.076     0    0.024   0.791     5.096   85.952   67.513
LGA    L   128_B      L   128_C     0.276     0    0.074   1.171     2.689   97.619   87.857
LGA    M   129_B      M   129_C     0.757     0    0.190   0.854     3.904   83.810   81.310
LGA    D   130_B      D   130_C     1.631     0    0.589   0.692     3.834   75.119   62.738
LGA    A   131_B      A   131_C     3.903     0    0.299   0.331     7.135   30.119   28.381

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      121     484    484  100.00     907    907  100.00               121
SUMMARY(RMSD_GDC):     1.160          1.170                  2.186           86.594   77.890

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    121    1.16    90.702    96.078     9.602

LGA_LOCAL      RMSD:   1.160  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.160  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   1.160  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.341509 * X  +  -0.692057 * Y  +  -0.635947 * Z  +   9.007965
  Y_new =   0.927191 * X  +   0.137268 * Y  +   0.348530 * Z  + -54.348347
  Z_new =  -0.153908 * X  +  -0.708671 * Y  +   0.688548 * Z  +  20.625397 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.217890  0.154522 -0.799799   [DEG:   69.7799    8.8535  -45.8251 ]
ZXZ: -2.072141  0.811312 -2.927735   [DEG: -118.7249   46.4847 -167.7469 ]
 
# END of job
