
#######################################################
#                                                     #
#                        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     16  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     78  109  117  119  119  120  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     72  109  117  119  119  120  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     59  109  117  119  119  120  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     10   68  109  119  119  120  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   18  114  120  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     55  109  117  119  119  120  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   92  117  119  119  120  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     26  109  117  119  119  120  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     59  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     77  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     74  109  117  119  119  120  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     80  109  117  119  119  120  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     34  103  115  119  119  120  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     77  109  117  119  119  120  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     77  109  117  119  119  120  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     80  109  117  119  119  120  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     78  109  117  119  119  120  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     77  109  117  119  119  120  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     77  109  117  119  119  120  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     77  109  117  119  119  120  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     77  109  117  119  119  120  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     78  109  117  119  119  120  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     78  109  117  119  119  120  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     78  109  117  119  119  120  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     78  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     77  109  117  119  119  120  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     33  109  117  119  119  120  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     80  109  117  119  119  120  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     76  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     15  109  117  119  119  120  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     10  107  117  119  119  120  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     10   91  117  119  119  120  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     32   98  117  119  119  120  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     55  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     55  109  117  119  119  120  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     32  109  117  119  119  120  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     32  101  117  119  119  120  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     22   80  117  119  119  120  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     45  101  117  119  119  120  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     45  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     80  109  117  119  119  120  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     69  109  117  119  119  120  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      2    3    3   77  116  120  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     80    109    117    119    119    120    121    121    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  66.12  90.08  96.69  98.35  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    0.30   0.48   0.59   0.64   0.64   0.70   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   0.79   0.79   0.79   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    28_B      D    28_C
#   possible swapping detected:  D    49_B      D    49_C
#   possible swapping detected:  E    72_B      E    72_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     0.795     0    0.196   1.174     5.449   92.857   69.286
LGA    T    12_B      T    12_C     0.227     0    0.040   1.121     2.547  100.000   88.844
LGA    D    13_B      D    13_C     0.109     0    0.050   1.186     4.385  100.000   83.333
LGA    K    14_B      K    14_C     0.028     0    0.019   0.564     3.160  100.000   88.413
LGA    L    15_B      L    15_C     0.184     0    0.021   0.110     0.388  100.000  100.000
LGA    W    16_B      W    16_C     0.295     0    0.065   0.188     1.252  100.000   91.939
LGA    Y    17_B      Y    17_C     0.239     0    0.028   0.122     1.013  100.000   96.071
LGA    I    18_B      I    18_C     0.336     0    0.019   0.056     0.372  100.000  100.000
LGA    L    19_B      L    19_C     0.363     0    0.041   0.038     0.422  100.000  100.000
LGA    Q    20_B      Q    20_C     0.419     0    0.052   1.408     4.282  100.000   77.725
LGA    E    21_B      E    21_C     0.522     0    0.016   1.052     5.226   92.857   71.693
LGA    L    22_B      L    22_C     0.719     0    0.016   1.379     3.243   90.476   81.071
LGA    T    23_B      T    23_C     0.656     0    0.069   0.113     0.872   90.476   90.476
LGA    S    24_B      S    24_C     0.644     0    0.069   0.087     1.615   92.857   87.619
LGA    N    25_B      N    25_C     2.020     0    0.446   0.898     6.772   65.238   47.976
LGA    R    26_B      R    26_C     3.222     0    0.586   0.995     6.524   52.262   34.632
LGA    G    27_B      G    27_C     1.030     0    0.107   0.107     1.207   83.690   83.690
LGA    D    28_B      D    28_C     1.476     0    0.184   0.955     2.548   83.690   75.298
LGA    I    29_B      I    29_C     0.773     0    0.044   0.080     1.258   85.952   87.083
LGA    Q    30_B      Q    30_C     0.768     0    0.075   0.138     1.952   95.238   84.709
LGA    G    31_B      G    31_C     0.249     0    0.035   0.035     0.428  100.000  100.000
LGA    C    32_B      C    32_C     0.253     0    0.027   0.770     2.112  100.000   92.540
LGA    T    33_B      T    33_C     0.087     0    0.031   0.102     0.351  100.000  100.000
LGA    I    34_B      I    34_C     0.095     0    0.011   0.104     0.255  100.000  100.000
LGA    V    35_B      V    35_C     0.047     0    0.015   0.090     0.286  100.000  100.000
LGA    T    36_B      T    36_C     0.256     0    0.048   0.091     0.505  100.000   98.639
LGA    T    37_B      T    37_C     0.281     0    0.034   0.080     0.911  100.000   95.918
LGA    Q    38_B      Q    38_C     0.367     0    0.065   1.005     4.339   97.619   85.767
LGA    G    39_B      G    39_C     0.408     0    0.017   0.017     0.674   95.238   95.238
LGA    L    40_B      L    40_C     0.745     0    0.046   0.083     1.521   95.238   87.321
LGA    P    41_B      P    41_C     0.458     0    0.010   0.288     0.746  100.000   95.918
LGA    I    42_B      I    42_C     0.350     0    0.026   0.060     0.385  100.000  100.000
LGA    T    43_B      T    43_C     0.283     0    0.035   0.050     0.455  100.000  100.000
LGA    S    44_B      S    44_C     0.240     0    0.047   0.091     0.656   97.619   98.413
LGA    L    45_B      L    45_C     0.396     0    0.028   1.055     2.520  100.000   90.060
LGA    L    46_B      L    46_C     0.546     0    0.016   0.099     0.767   92.857   92.857
LGA    A    47_B      A    47_C     0.819     0    0.016   0.025     1.101   92.857   90.571
LGA    D    48_B      D    48_C     0.211     0    0.042   0.094     1.069   92.857   91.726
LGA    D    49_B      D    49_C     1.556     0    0.115   0.827     2.406   79.286   77.321
LGA    A    50_B      A    50_C     0.922     0    0.117   0.135     1.107   85.952   86.857
LGA    N    51_B      N    51_C     0.954     0    0.095   0.149     1.510   88.214   83.750
LGA    V    52_B      V    52_C     0.461     0    0.027   0.067     0.650   95.238   95.918
LGA    S    53_B      S    53_C     0.709     0    0.013   0.645     2.974   90.476   84.921
LGA    L    54_B      L    54_C     0.907     0    0.049   0.102     1.128   88.214   88.214
LGA    I    55_B      I    55_C     0.772     0    0.009   0.022     0.797   90.476   90.476
LGA    S    56_B      S    56_C     0.724     0    0.042   0.048     0.793   90.476   90.476
LGA    A    57_B      A    57_C     0.821     0    0.012   0.021     0.855   90.476   90.476
LGA    M    58_B      M    58_C     0.694     0    0.025   0.865     3.153   90.476   81.250
LGA    S    59_B      S    59_C     0.717     0    0.019   0.649     3.078   90.476   83.730
LGA    A    60_B      A    60_C     0.691     0    0.025   0.035     0.709   90.476   90.476
LGA    A    61_B      A    61_C     0.681     0    0.014   0.020     0.767   90.476   90.476
LGA    I    62_B      I    62_C     0.549     0    0.022   0.148     1.001   95.238   91.726
LGA    I    63_B      I    63_C     0.316     0    0.029   0.612     1.907  100.000   95.417
LGA    S    64_B      S    64_C     0.393     0    0.047   0.729     2.500   97.619   91.270
LGA    V    65_B      V    65_C     0.124     0    0.026   0.068     0.296  100.000  100.000
LGA    A    66_B      A    66_C     0.210     0    0.017   0.025     0.332  100.000  100.000
LGA    E    67_B      E    67_C     0.310     0    0.024   1.209     4.754  100.000   81.587
LGA    S    68_B      S    68_C     0.240     0    0.042   0.757     2.205  100.000   94.127
LGA    A    69_B      A    69_C     0.147     0    0.014   0.016     0.248  100.000  100.000
LGA    S    70_B      S    70_C     0.271     0    0.013   0.074     0.454  100.000  100.000
LGA    Q    71_B      Q    71_C     0.501     0    0.042   0.655     3.018   97.619   78.042
LGA    E    72_B      E    72_C     0.461     0    0.052   0.156     0.790  100.000   96.825
LGA    L    73_B      L    73_C     0.220     0    0.071   0.252     0.931  100.000   98.810
LGA    Q    74_B      Q    74_C     0.244     0    0.079   0.124     2.025  100.000   89.841
LGA    R    75_B      R    75_C     0.402     0    0.112   1.209     2.661   97.619   83.680
LGA    G    76_B      G    76_C     0.458     0    0.076   0.076     0.475  100.000  100.000
LGA    Y    77_B      Y    77_C     0.981     0    0.066   0.074     2.782   90.476   75.437
LGA    L    78_B      L    78_C     0.270     0    0.104   0.172     0.668   95.238   95.238
LGA    Q    79_B      Q    79_C     0.579     0    0.052   0.322     2.078   97.619   87.778
LGA    R    80_B      R    80_C     0.444     0    0.070   0.894     2.620   95.238   84.329
LGA    I    81_B      I    81_C     0.500     0    0.014   0.685     2.912   97.619   92.262
LGA    L    82_B      L    82_C     0.352     0    0.048   0.107     1.077   97.619   92.917
LGA    L    83_B      L    83_C     0.273     0    0.054   0.785     1.832  100.000   93.214
LGA    E    84_B      E    84_C     0.130     0    0.058   0.121     1.069   97.619   93.757
LGA    G    85_B      G    85_C     0.883     0    0.024   0.024     0.917   90.476   90.476
LGA    E    86_B      E    86_C     1.190     0    0.088   0.813     4.161   79.286   64.921
LGA    L    87_B      L    87_C     1.651     0    0.034   0.044     2.423   75.000   70.893
LGA    G    88_B      G    88_C     1.526     0    0.033   0.033     1.552   77.143   77.143
LGA    T    89_B      T    89_C     0.825     0    0.048   0.119     1.142   85.952   87.891
LGA    I    90_B      I    90_C     0.309     0    0.020   0.063     0.444  100.000  100.000
LGA    I    91_B      I    91_C     0.109     0    0.026   0.052     0.660  100.000   98.810
LGA    I    92_B      I    92_C     0.237     0    0.029   0.050     0.337  100.000  100.000
LGA    S    93_B      S    93_C     0.285     0    0.017   0.162     0.755  100.000   98.413
LGA    K    94_B      K    94_C     0.161     0    0.012   0.409     2.171  100.000   92.011
LGA    A    95_B      A    95_C     0.188     0    0.026   0.042     0.322  100.000  100.000
LGA    G    96_B      G    96_C     0.192     0    0.063   0.063     0.481  100.000  100.000
LGA    P    97_B      P    97_C     0.294     0    0.067   0.080     0.437  100.000  100.000
LGA    H    98_B      H    98_C     0.407     0    0.047   1.150     3.389   97.619   85.238
LGA    A    99_B      A    99_C     0.070     0    0.042   0.051     0.264  100.000  100.000
LGA    I   100_B      I   100_C     0.243     0    0.047   1.196     2.670  100.000   84.643
LGA    L   101_B      L   101_C     0.092     0    0.021   0.068     0.205  100.000  100.000
LGA    V   102_B      V   102_C     0.132     0    0.009   0.037     0.271  100.000  100.000
LGA    S   103_B      S   103_C     0.070     0    0.039   0.069     0.207  100.000  100.000
LGA    L   104_B      L   104_C     0.402     0    0.007   0.097     0.947   95.238   92.857
LGA    V   105_B      V   105_C     0.785     0    0.097   1.181     2.588   90.476   82.041
LGA    D   106_B      D   106_C     0.978     0    0.034   0.918     2.640   85.952   77.500
LGA    K   107_B      K   107_C     1.488     0    0.064   1.072     8.089   77.143   56.243
LGA    D   108_B      D   108_C     1.686     0    0.073   0.149     2.181   72.857   71.845
LGA    A   109_B      A   109_C     1.266     0    0.091   0.109     1.429   85.952   85.048
LGA    K   110_B      K   110_C     0.968     0    0.109   1.431     7.337   85.952   64.921
LGA    L   111_B      L   111_C     0.457     0    0.086   1.359     3.507  100.000   83.929
LGA    G   112_B      G   112_C     0.551     0    0.064   0.064     0.742   90.476   90.476
LGA    I   113_B      I   113_C     0.441     0    0.017   0.055     0.489  100.000  100.000
LGA    I   114_B      I   114_C     0.534     0    0.034   0.653     1.912   95.238   90.714
LGA    L   115_B      L   115_C     0.517     0    0.046   0.074     0.710   95.238   92.857
LGA    M   116_B      M   116_C     0.278     0    0.053   1.125     3.592  100.000   83.155
LGA    L   117_B      L   117_C     0.375     0    0.060   0.134     0.496  100.000  100.000
LGA    I   118_B      I   118_C     0.369     0    0.061   0.087     0.455  100.000  100.000
LGA    D   119_B      D   119_C     0.282     0    0.099   0.153     0.984   97.619   94.048
LGA    K   120_B      K   120_C     0.243     0    0.018   0.411     1.824  100.000   95.926
LGA    A   121_B      A   121_C     0.228     0    0.037   0.044     0.286  100.000  100.000
LGA    I   122_B      I   122_C     0.316     0    0.034   0.064     0.494  100.000  100.000
LGA    K   123_B      K   123_C     0.390     0    0.030   0.981     4.701  100.000   83.492
LGA    Q   124_B      Q   124_C     0.262     0    0.013   0.167     0.641  100.000   97.884
LGA    I   125_B      I   125_C     0.235     0    0.024   0.030     0.346  100.000  100.000
LGA    A   126_B      A   126_C     0.348     0    0.043   0.051     0.612   97.619   98.095
LGA    E   127_B      E   127_C     0.524     0    0.040   0.097     1.053   97.619   92.646
LGA    L   128_B      L   128_C     0.440     0    0.056   1.078     2.315   95.238   88.810
LGA    M   129_B      M   129_C     0.602     0    0.048   0.113     0.773   90.476   90.476
LGA    D   130_B      D   130_C     0.735     0    0.630   0.890     4.538   88.452   72.619
LGA    A   131_B      A   131_C     3.664     0    0.480   0.500     5.808   37.024   33.905

# 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):     0.776          0.812                  1.423           94.167   89.052

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    121    0.78    97.107    98.695    13.806

LGA_LOCAL      RMSD:   0.776  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.776  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   0.776  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.350667 * X  +  -0.100000 * Y  +   0.931146 * Z  +  20.213856
  Y_new =   0.900326 * X  +   0.237678 * Y  +   0.364585 * Z  +  -6.275513
  Z_new =  -0.257771 * X  +   0.966183 * Y  +   0.006687 * Z  +  23.871845 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.942209  0.260715  1.563875   [DEG:  111.2804   14.9378   89.6035 ]
ZXZ:  1.943993  1.564109 -0.260721   [DEG:  111.3826   89.6169  -14.9382 ]
 
# END of job
