
#######################################################
#                                                     #
#                        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       0.78     0.78
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.78     0.78
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.78     0.78
  LCS_AVERAGE:    100.00

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    121  121  121     15  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    12_B     T    12_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    13_B     D    13_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    14_B     K    14_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    15_B     L    15_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     W    16_B     W    16_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    17_B     Y    17_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    18_B     I    18_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    19_B     L    19_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    20_B     Q    20_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    21_B     E    21_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    22_B     L    22_C    121  121  121     73  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    23_B     T    23_C    121  121  121     60  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    24_B     S    24_C    121  121  121     74  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    25_B     N    25_C    121  121  121     28  104  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    26_B     R    26_C    121  121  121      3    4    4   54  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    27_B     G    27_C    121  121  121     46  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    28_B     D    28_C    121  121  121      6   91  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    29_B     I    29_C    121  121  121     53  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    30_B     Q    30_C    121  121  121     56  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    31_B     G    31_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     C    32_B     C    32_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    33_B     T    33_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    34_B     I    34_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    35_B     V    35_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    36_B     T    36_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    37_B     T    37_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    38_B     Q    38_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    39_B     G    39_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    40_B     L    40_C    121  121  121     69  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    41_B     P    41_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    42_B     I    42_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    43_B     T    43_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    44_B     S    44_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    45_B     L    45_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    46_B     L    46_C    121  121  121     58  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    47_B     A    47_C    121  121  121     58  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    48_B     D    48_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    49_B     D    49_C    121  121  121     30  103  114  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    50_B     A    50_C    121  121  121     65  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    51_B     N    51_C    121  121  121     65  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    52_B     V    52_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    53_B     S    53_C    121  121  121     73  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    54_B     L    54_C    121  121  121     65  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    55_B     I    55_C    121  121  121     67  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    56_B     S    56_C    121  121  121     63  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    57_B     A    57_C    121  121  121     63  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M    58_B     M    58_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    59_B     S    59_C    121  121  121     63  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    60_B     A    60_C    121  121  121     63  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    61_B     A    61_C    121  121  121     73  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    62_B     I    62_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    63_B     I    63_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    64_B     S    64_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    65_B     V    65_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    66_B     A    66_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    67_B     E    67_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    68_B     S    68_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    69_B     A    69_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    70_B     S    70_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    71_B     Q    71_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    72_B     E    72_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    73_B     L    73_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    74_B     Q    74_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    75_B     R    75_C    121  121  121     72  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    76_B     G    76_C    121  121  121     67  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    77_B     Y    77_C    121  121  121     13  103  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    78_B     L    78_C    121  121  121     74  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    79_B     Q    79_C    121  121  121     67  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    80_B     R    80_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    81_B     I    81_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    82_B     L    82_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    83_B     L    83_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    84_B     E    84_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    85_B     G    85_C    121  121  121      7  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    86_B     E    86_C    121  121  121      7  104  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    87_B     L    87_C    121  121  121      7   91  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    88_B     G    88_C    121  121  121      8   77  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    89_B     T    89_C    121  121  121     13  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    90_B     I    90_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    91_B     I    91_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    92_B     I    92_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    93_B     S    93_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    94_B     K    94_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    95_B     A    95_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    96_B     G    96_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    97_B     P    97_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     H    98_B     H    98_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    99_B     A    99_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   100_B     I   100_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   101_B     L   101_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   102_B     V   102_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S   103_B     S   103_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   104_B     L   104_C    121  121  121     73  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   105_B     V   105_C    121  121  121     22  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   106_B     D   106_C    121  121  121     42  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   107_B     K   107_C    121  121  121      6   93  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   108_B     D   108_C    121  121  121     32   81  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   109_B     A   109_C    121  121  121     36   97  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   110_B     K   110_C    121  121  121     44  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   111_B     L   111_C    121  121  121     74  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G   112_B     G   112_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   113_B     I   113_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   114_B     I   114_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   115_B     L   115_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   116_B     M   116_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   117_B     L   117_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   118_B     I   118_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   119_B     D   119_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   120_B     K   120_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   121_B     A   121_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   122_B     I   122_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   123_B     K   123_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q   124_B     Q   124_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   125_B     I   125_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   126_B     A   126_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E   127_B     E   127_C    121  121  121     72  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   128_B     L   128_C    121  121  121     75  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   129_B     M   129_C    121  121  121     72  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   130_B     D   130_C    121  121  121     56  108  118  119  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   131_B     A   131_C    121  121  121      0    3   43   92  113  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  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     75    108    118    119    120    121    121    121    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  61.98  89.26  97.52  98.35  99.17 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.51   0.66   0.67   0.72   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78
GDT RMS_ALL_AT   0.81   0.80   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78

# Checking swapping
#   possible swapping detected:  D    49_B      D    49_C
#   possible swapping detected:  E    72_B      E    72_C
#   possible swapping detected:  Y    77_B      Y    77_C
#   possible swapping detected:  E    84_B      E    84_C
#   possible swapping detected:  D   106_B      D   106_C
#   possible swapping detected:  E   127_B      E   127_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    11_B      H    11_C     0.991     0    0.197   1.275     5.472   88.214   67.857
LGA    T    12_B      T    12_C     0.264     0    0.045   1.110     2.574   97.619   87.483
LGA    D    13_B      D    13_C     0.165     0    0.043   1.177     4.144  100.000   84.345
LGA    K    14_B      K    14_C     0.177     0    0.019   0.586     3.591  100.000   86.772
LGA    L    15_B      L    15_C     0.244     0    0.025   0.098     0.486  100.000  100.000
LGA    W    16_B      W    16_C     0.371     0    0.065   0.181     1.420  100.000   90.646
LGA    Y    17_B      Y    17_C     0.344     0    0.028   0.205     1.642  100.000   90.794
LGA    I    18_B      I    18_C     0.385     0    0.015   0.060     0.454  100.000  100.000
LGA    L    19_B      L    19_C     0.388     0    0.042   0.041     0.526  100.000   98.810
LGA    Q    20_B      Q    20_C     0.424     0    0.042   1.407     4.217  100.000   77.725
LGA    E    21_B      E    21_C     0.565     0    0.012   1.047     5.361   90.476   69.894
LGA    L    22_B      L    22_C     0.784     0    0.016   1.382     3.186   90.476   81.071
LGA    T    23_B      T    23_C     0.713     0    0.043   0.103     0.821   90.476   90.476
LGA    S    24_B      S    24_C     0.452     0    0.035   0.100     1.050   95.238   92.143
LGA    N    25_B      N    25_C     1.303     0    0.509   0.642     4.210   75.357   62.321
LGA    R    26_B      R    26_C     2.908     0    0.635   0.959     4.935   55.952   46.407
LGA    G    27_B      G    27_C     0.960     0    0.119   0.119     1.001   88.214   88.214
LGA    D    28_B      D    28_C     1.473     0    0.163   1.112     2.437   83.690   76.310
LGA    I    29_B      I    29_C     0.709     0    0.062   0.084     1.273   88.214   88.214
LGA    Q    30_B      Q    30_C     0.721     0    0.064   0.154     1.842   95.238   85.714
LGA    G    31_B      G    31_C     0.298     0    0.036   0.036     0.418  100.000  100.000
LGA    C    32_B      C    32_C     0.339     0    0.020   0.785     2.173  100.000   92.540
LGA    T    33_B      T    33_C     0.237     0    0.026   0.123     0.506  100.000   98.639
LGA    I    34_B      I    34_C     0.238     0    0.008   0.029     0.277  100.000  100.000
LGA    V    35_B      V    35_C     0.235     0    0.016   1.110     2.530  100.000   88.639
LGA    T    36_B      T    36_C     0.228     0    0.036   0.065     0.446  100.000  100.000
LGA    T    37_B      T    37_C     0.317     0    0.033   0.073     0.968  100.000   95.918
LGA    Q    38_B      Q    38_C     0.373     0    0.062   1.048     4.297   95.238   85.767
LGA    G    39_B      G    39_C     0.485     0    0.029   0.029     0.826   95.238   95.238
LGA    L    40_B      L    40_C     0.792     0    0.024   0.059     1.708   95.238   86.190
LGA    P    41_B      P    41_C     0.504     0    0.017   0.047     0.936   95.238   93.197
LGA    I    42_B      I    42_C     0.497     0    0.040   0.066     0.531   95.238   97.619
LGA    T    43_B      T    43_C     0.433     0    0.040   0.057     0.557  100.000   98.639
LGA    S    44_B      S    44_C     0.264     0    0.038   0.593     2.298   97.619   92.540
LGA    L    45_B      L    45_C     0.483     0    0.071   0.113     0.483  100.000  100.000
LGA    L    46_B      L    46_C     0.681     0    0.015   0.088     0.951   90.476   90.476
LGA    A    47_B      A    47_C     0.907     0    0.018   0.029     1.163   90.476   88.667
LGA    D    48_B      D    48_C     0.322     0    0.039   0.096     0.999   92.857   92.857
LGA    D    49_B      D    49_C     1.598     0    0.104   0.823     2.314   79.286   78.452
LGA    A    50_B      A    50_C     0.997     0    0.122   0.139     1.157   85.952   86.857
LGA    N    51_B      N    51_C     1.044     0    0.093   0.143     1.673   83.690   81.488
LGA    V    52_B      V    52_C     0.524     0    0.030   0.062     0.698   90.476   91.837
LGA    S    53_B      S    53_C     0.736     0    0.015   0.652     2.973   88.214   83.413
LGA    L    54_B      L    54_C     0.984     0    0.037   0.110     1.267   88.214   85.952
LGA    I    55_B      I    55_C     0.901     0    0.020   0.027     0.925   90.476   90.476
LGA    S    56_B      S    56_C     0.859     0    0.021   0.028     0.916   90.476   90.476
LGA    A    57_B      A    57_C     0.868     0    0.015   0.023     0.917   90.476   90.476
LGA    M    58_B      M    58_C     0.676     0    0.028   0.881     3.267   90.476   81.250
LGA    S    59_B      S    59_C     0.838     0    0.015   0.023     0.922   90.476   90.476
LGA    A    60_B      A    60_C     0.831     0    0.025   0.035     0.843   90.476   90.476
LGA    A    61_B      A    61_C     0.792     0    0.013   0.019     0.884   90.476   90.476
LGA    I    62_B      I    62_C     0.659     0    0.027   0.155     1.054   95.238   91.726
LGA    I    63_B      I    63_C     0.356     0    0.026   0.557     1.669  100.000   95.417
LGA    S    64_B      S    64_C     0.474     0    0.034   0.722     2.423   95.238   89.365
LGA    V    65_B      V    65_C     0.298     0    0.016   0.068     0.426  100.000  100.000
LGA    A    66_B      A    66_C     0.340     0    0.016   0.023     0.450  100.000  100.000
LGA    E    67_B      E    67_C     0.354     0    0.027   1.198     4.699  100.000   80.688
LGA    S    68_B      S    68_C     0.191     0    0.044   0.754     2.317  100.000   94.127
LGA    A    69_B      A    69_C     0.154     0    0.012   0.017     0.343  100.000  100.000
LGA    S    70_B      S    70_C     0.257     0    0.012   0.068     0.400  100.000  100.000
LGA    Q    71_B      Q    71_C     0.273     0    0.041   0.624     2.599  100.000   81.799
LGA    E    72_B      E    72_C     0.233     0    0.047   0.159     0.451  100.000  100.000
LGA    L    73_B      L    73_C     0.092     0    0.056   0.240     0.718  100.000   97.619
LGA    Q    74_B      Q    74_C     0.281     0    0.088   0.125     2.198  100.000   86.931
LGA    R    75_B      R    75_C     0.505     0    0.131   1.253     2.383   92.857   82.641
LGA    G    76_B      G    76_C     0.660     0    0.079   0.079     0.668   92.857   92.857
LGA    Y    77_B      Y    77_C     1.240     0    0.069   1.287     8.794   85.952   50.040
LGA    L    78_B      L    78_C     0.372     0    0.138   0.222     0.752   95.238   95.238
LGA    Q    79_B      Q    79_C     0.624     0    0.048   0.323     2.252   95.238   84.815
LGA    R    80_B      R    80_C     0.569     0    0.081   0.979     3.863   92.857   82.164
LGA    I    81_B      I    81_C     0.548     0    0.018   0.696     2.950   92.857   87.500
LGA    L    82_B      L    82_C     0.317     0    0.032   0.154     1.272   97.619   92.917
LGA    L    83_B      L    83_C     0.203     0    0.046   0.784     1.905  100.000   93.214
LGA    E    84_B      E    84_C     0.128     0    0.070   0.277     1.906   95.357   88.677
LGA    G    85_B      G    85_C     0.925     0    0.035   0.035     0.940   90.476   90.476
LGA    E    86_B      E    86_C     1.181     0    0.080   0.796     4.019   79.286   65.714
LGA    L    87_B      L    87_C     1.772     0    0.042   0.051     2.716   72.857   67.857
LGA    G    88_B      G    88_C     1.705     0    0.034   0.034     1.705   77.143   77.143
LGA    T    89_B      T    89_C     0.950     0    0.058   0.130     1.318   85.952   84.014
LGA    I    90_B      I    90_C     0.248     0    0.005   0.054     0.404  100.000  100.000
LGA    I    91_B      I    91_C     0.081     0    0.056   0.077     0.681  100.000   98.810
LGA    I    92_B      I    92_C     0.420     0    0.020   0.040     0.499  100.000  100.000
LGA    S    93_B      S    93_C     0.404     0    0.019   0.142     0.679  100.000   98.413
LGA    K    94_B      K    94_C     0.217     0    0.022   0.379     2.155  100.000   92.963
LGA    A    95_B      A    95_C     0.271     0    0.018   0.035     0.319  100.000  100.000
LGA    G    96_B      G    96_C     0.344     0    0.065   0.065     0.527   97.619   97.619
LGA    P    97_B      P    97_C     0.276     0    0.061   0.072     0.422  100.000  100.000
LGA    H    98_B      H    98_C     0.384     0    0.072   1.151     3.123   97.619   86.952
LGA    A    99_B      A    99_C     0.059     0    0.040   0.048     0.306  100.000  100.000
LGA    I   100_B      I   100_C     0.313     0    0.045   1.194     2.731  100.000   84.643
LGA    L   101_B      L   101_C     0.134     0    0.021   0.058     0.225  100.000  100.000
LGA    V   102_B      V   102_C     0.176     0    0.013   0.031     0.338  100.000  100.000
LGA    S   103_B      S   103_C     0.063     0    0.036   0.056     0.141  100.000  100.000
LGA    L   104_B      L   104_C     0.440     0    0.017   0.095     0.972   95.238   92.857
LGA    V   105_B      V   105_C     0.865     0    0.103   1.173     2.625   90.476   82.041
LGA    D   106_B      D   106_C     0.923     0    0.032   0.914     2.664   85.952   78.571
LGA    K   107_B      K   107_C     1.546     0    0.058   0.994     7.881   75.000   55.556
LGA    D   108_B      D   108_C     1.741     0    0.074   0.111     2.133   72.857   69.821
LGA    A   109_B      A   109_C     1.304     0    0.089   0.107     1.465   83.690   83.238
LGA    K   110_B      K   110_C     1.029     0    0.116   1.405     7.325   83.690   63.915
LGA    L   111_B      L   111_C     0.446     0    0.080   1.359     3.402  100.000   84.762
LGA    G   112_B      G   112_C     0.528     0    0.065   0.065     0.724   90.476   90.476
LGA    I   113_B      I   113_C     0.435     0    0.013   0.043     0.515  100.000   98.810
LGA    I   114_B      I   114_C     0.518     0    0.038   0.647     1.942   95.238   91.845
LGA    L   115_B      L   115_C     0.525     0    0.048   0.085     0.931   95.238   92.857
LGA    M   116_B      M   116_C     0.329     0    0.053   1.129     4.054  100.000   86.786
LGA    L   117_B      L   117_C     0.396     0    0.057   0.135     0.594  100.000   96.429
LGA    I   118_B      I   118_C     0.406     0    0.070   0.091     0.481  100.000  100.000
LGA    D   119_B      D   119_C     0.321     0    0.059   0.192     0.617   97.619   96.429
LGA    K   120_B      K   120_C     0.282     0    0.036   0.456     1.737  100.000   94.868
LGA    A   121_B      A   121_C     0.252     0    0.045   0.052     0.292  100.000  100.000
LGA    I   122_B      I   122_C     0.396     0    0.029   0.060     0.603   97.619   97.619
LGA    K   123_B      K   123_C     0.447     0    0.039   0.964     4.536   97.619   83.333
LGA    Q   124_B      Q   124_C     0.339     0    0.014   0.879     2.274  100.000   93.069
LGA    I   125_B      I   125_C     0.330     0    0.021   0.028     0.450  100.000  100.000
LGA    A   126_B      A   126_C     0.468     0    0.044   0.051     0.681   95.238   96.190
LGA    E   127_B      E   127_C     0.599     0    0.041   0.082     1.165   95.238   91.587
LGA    L   128_B      L   128_C     0.445     0    0.051   1.072     2.358   95.238   88.810
LGA    M   129_B      M   129_C     0.625     0    0.034   0.083     0.874   90.476   90.476
LGA    D   130_B      D   130_C     0.892     0    0.633   0.910     4.733   86.071   69.464
LGA    A   131_B      A   131_C     3.308     0    0.479   0.497     5.450   43.095   39.714

# 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):     0.779          0.814                  1.448           93.672   88.563

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    121    0.78    96.901    98.797    13.760

LGA_LOCAL      RMSD:   0.779  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.779  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   0.779  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.823107 * X  +  -0.323639 * Y  +   0.466639 * Z  +  20.546877
  Y_new =  -0.058948 * X  +  -0.768581 * Y  +  -0.637030 * Z  +  -6.113907
  Z_new =   0.564818 * X  +  -0.551852 * Y  +   0.613547 * Z  +  22.612276 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.070098 -0.600213 -0.732509   [DEG: -175.9036  -34.3896  -41.9697 ]
ZXZ:  0.632222  0.910252  2.344584   [DEG:   36.2236   52.1536  134.3348 ]
 
# END of job
