
#######################################################
#                                                     #
#                        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       0.75     0.75
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.75     0.75
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.75     0.75
  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     67  109  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  109  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  109  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  109  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  109  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  109  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  109  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  109  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  109  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  109  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  109  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     75  109  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     58  109  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     75  109  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     72  109  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   76  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      5  109  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     13  106  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     69  109  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     58  109  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  109  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  109  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  109  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  109  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  109  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  109  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  109  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  109  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     73  109  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     72  109  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  109  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  109  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  109  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  109  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  109  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     42  109  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     54  109  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  109  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     45  104  118  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     54  109  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     66  109  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  109  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     72  109  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     54  109  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     66  109  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     73  109  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     67  109  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     66  109  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     75  109  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     72  109  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     45  109  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     72  109  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  109  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     65  109  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     72  109  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  109  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  109  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  109  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  109  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  109  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  109  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  109  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  109  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  109  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     75  109  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     65  109  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     20  108  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     73  109  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     75  109  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  109  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  109  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  109  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  109  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  109  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     45  109  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      9  100  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      9   94  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     20   96  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     57  109  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  109  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  109  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  109  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  109  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  109  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  109  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  109  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  109  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     58  109  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  109  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  109  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  109  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  109  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  109  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  109  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     47  109  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     45  109  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     27  100  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      6  100  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     10  106  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     47  109  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     73  109  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  109  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  109  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  109  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  109  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  109  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  109  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  109  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  109  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  109  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  109  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  109  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  109  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  109  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  109  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  109  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     75  109  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  109  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     73  109  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     73  109  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    4    4   86  115  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    109    118    119    120    121    121    121    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  61.98  90.08  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   0.50   0.61   0.62   0.67   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75
GDT RMS_ALL_AT   0.77   0.76   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75

# Checking swapping
#   possible swapping detected:  D    13_B      D    13_C
#   possible swapping detected:  Y    17_B      Y    17_C
#   possible swapping detected:  E    21_B      E    21_C
#   possible swapping detected:  D    28_B      D    28_C
#   possible swapping detected:  D    48_B      D    48_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:  D   108_B      D   108_C
#   possible swapping detected:  D   119_B      D   119_C
#   possible swapping detected:  E   127_B      E   127_C
#   possible swapping detected:  D   130_B      D   130_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    11_B      H    11_C     0.709     0    0.159   1.205     5.042   90.476   68.952
LGA    T    12_B      T    12_C     0.410     0    0.008   1.133     2.908  100.000   87.755
LGA    D    13_B      D    13_C     0.120     0    0.008   1.178     4.318  100.000   83.333
LGA    K    14_B      K    14_C     0.188     0    0.008   0.634     3.524  100.000   87.672
LGA    L    15_B      L    15_C     0.306     0    0.040   0.114     0.689  100.000   97.619
LGA    W    16_B      W    16_C     0.425     0    0.058   0.102     1.447  100.000   88.027
LGA    Y    17_B      Y    17_C     0.227     0    0.016   0.209     1.377  100.000   93.016
LGA    I    18_B      I    18_C     0.262     0    0.008   0.070     0.433  100.000  100.000
LGA    L    19_B      L    19_C     0.270     0    0.011   0.068     0.444  100.000  100.000
LGA    Q    20_B      Q    20_C     0.325     0    0.044   1.509     5.309  100.000   76.720
LGA    E    21_B      E    21_C     0.412     0    0.020   1.109     4.162  100.000   76.402
LGA    L    22_B      L    22_C     0.557     0    0.049   1.365     3.139   92.857   82.262
LGA    T    23_B      T    23_C     0.608     0    0.075   0.110     0.798   90.476   90.476
LGA    S    24_B      S    24_C     0.396     0    0.019   0.631     3.081  100.000   90.079
LGA    N    25_B      N    25_C     0.731     0    0.587   0.471     2.167   84.048   83.869
LGA    R    26_B      R    26_C     2.591     0    0.574   1.396     6.941   57.976   44.416
LGA    G    27_B      G    27_C     0.786     0    0.136   0.136     0.821   90.476   90.476
LGA    D    28_B      D    28_C     1.221     0    0.134   1.158     2.658   85.952   78.512
LGA    I    29_B      I    29_C     0.575     0    0.034   0.059     1.002   90.476   89.345
LGA    Q    30_B      Q    30_C     0.632     0    0.056   0.171     1.972   95.238   85.714
LGA    G    31_B      G    31_C     0.112     0    0.044   0.044     0.347  100.000  100.000
LGA    C    32_B      C    32_C     0.119     0    0.007   0.109     0.455  100.000  100.000
LGA    T    33_B      T    33_C     0.181     0    0.048   0.170     0.399  100.000  100.000
LGA    I    34_B      I    34_C     0.211     0    0.022   0.021     0.230  100.000  100.000
LGA    V    35_B      V    35_C     0.183     0    0.048   1.095     2.401  100.000   88.571
LGA    T    36_B      T    36_C     0.202     0    0.011   0.022     0.420  100.000  100.000
LGA    T    37_B      T    37_C     0.354     0    0.026   0.036     0.974  100.000   95.918
LGA    Q    38_B      Q    38_C     0.299     0    0.067   1.263     3.935   97.619   80.317
LGA    G    39_B      G    39_C     0.576     0    0.034   0.034     0.898   92.857   92.857
LGA    L    40_B      L    40_C     0.721     0    0.033   0.055     1.623   95.238   87.321
LGA    P    41_B      P    41_C     0.326     0    0.021   0.043     0.712  100.000   95.918
LGA    I    42_B      I    42_C     0.331     0    0.042   0.050     0.402  100.000  100.000
LGA    T    43_B      T    43_C     0.356     0    0.047   0.108     0.560  100.000   98.639
LGA    S    44_B      S    44_C     0.259     0    0.016   0.577     2.492   97.619   92.540
LGA    L    45_B      L    45_C     0.509     0    0.092   0.988     2.315   95.238   86.310
LGA    L    46_B      L    46_C     0.801     0    0.021   0.072     1.166   90.476   89.345
LGA    A    47_B      A    47_C     0.930     0    0.031   0.043     1.093   90.476   88.667
LGA    D    48_B      D    48_C     0.517     0    0.070   0.126     0.992   90.476   91.667
LGA    D    49_B      D    49_C     1.478     0    0.137   0.864     2.438   81.429   78.393
LGA    A    50_B      A    50_C     1.029     0    0.032   0.041     1.145   81.429   83.238
LGA    N    51_B      N    51_C     1.004     0    0.107   0.149     1.394   83.690   82.560
LGA    V    52_B      V    52_C     0.502     0    0.027   0.175     0.833   90.476   91.837
LGA    S    53_B      S    53_C     0.694     0    0.010   0.659     3.015   90.476   83.730
LGA    L    54_B      L    54_C     1.130     0    0.015   0.061     1.576   81.429   80.357
LGA    I    55_B      I    55_C     0.923     0    0.012   0.044     1.037   88.214   88.214
LGA    S    56_B      S    56_C     0.588     0    0.007   0.046     0.701   90.476   92.063
LGA    A    57_B      A    57_C     0.887     0    0.003   0.004     0.932   90.476   90.476
LGA    M    58_B      M    58_C     0.928     0    0.012   0.864     2.665   90.476   81.964
LGA    S    59_B      S    59_C     0.578     0    0.009   0.015     0.737   92.857   92.063
LGA    A    60_B      A    60_C     0.662     0    0.008   0.007     0.775   90.476   90.476
LGA    A    61_B      A    61_C     0.987     0    0.009   0.014     1.148   90.476   88.667
LGA    I    62_B      I    62_C     0.682     0    0.020   0.125     1.002   95.238   91.726
LGA    I    63_B      I    63_C     0.215     0    0.020   0.603     1.809  100.000   95.417
LGA    S    64_B      S    64_C     0.725     0    0.034   0.732     2.056   90.476   86.190
LGA    V    65_B      V    65_C     0.692     0    0.020   0.058     0.917   90.476   90.476
LGA    A    66_B      A    66_C     0.344     0    0.012   0.013     0.434  100.000  100.000
LGA    E    67_B      E    67_C     0.206     0    0.019   1.136     4.284  100.000   82.169
LGA    S    68_B      S    68_C     0.381     0    0.009   0.704     2.583  100.000   91.270
LGA    A    69_B      A    69_C     0.312     0    0.002   0.005     0.365  100.000  100.000
LGA    S    70_B      S    70_C     0.392     0    0.016   0.028     0.484  100.000  100.000
LGA    Q    71_B      Q    71_C     0.419     0    0.019   0.882     2.323  100.000   92.011
LGA    E    72_B      E    72_C     0.282     0    0.019   0.097     0.642  100.000   98.942
LGA    L    73_B      L    73_C     0.287     0    0.061   0.301     0.797   97.619   96.429
LGA    Q    74_B      Q    74_C     0.460     0    0.122   0.141     2.386   97.619   85.873
LGA    R    75_B      R    75_C     0.587     0    0.043   0.931     2.188   92.857   84.156
LGA    G    76_B      G    76_C     0.665     0    0.077   0.077     0.665   95.238   95.238
LGA    Y    77_B      Y    77_C     1.134     0    0.055   1.286     8.397   85.952   52.897
LGA    L    78_B      L    78_C     0.465     0    0.074   0.174     0.694   95.238   97.619
LGA    Q    79_B      Q    79_C     0.438     0    0.027   0.361     1.288  100.000   92.698
LGA    R    80_B      R    80_C     0.511     0    0.035   1.048     4.268   92.857   80.173
LGA    I    81_B      I    81_C     0.493     0    0.033   0.664     2.765   95.238   88.690
LGA    L    82_B      L    82_C     0.330     0    0.025   0.093     1.161  100.000   94.107
LGA    L    83_B      L    83_C     0.303     0    0.043   0.672     1.585  100.000   93.214
LGA    E    84_B      E    84_C     0.403     0    0.087   0.571     1.630   95.238   91.746
LGA    G    85_B      G    85_C     0.957     0    0.041   0.041     0.959   90.476   90.476
LGA    E    86_B      E    86_C     1.275     0    0.086   0.766     4.209   79.286   64.921
LGA    L    87_B      L    87_C     1.655     0    0.038   0.043     2.669   75.000   68.929
LGA    G    88_B      G    88_C     1.437     0    0.098   0.098     1.437   81.429   81.429
LGA    T    89_B      T    89_C     0.739     0    0.019   0.111     1.015   88.214   89.184
LGA    I    90_B      I    90_C     0.372     0    0.021   0.024     0.524  100.000   98.810
LGA    I    91_B      I    91_C     0.183     0    0.052   0.097     0.429  100.000  100.000
LGA    I    92_B      I    92_C     0.458     0    0.024   0.022     0.498  100.000  100.000
LGA    S    93_B      S    93_C     0.589     0    0.019   0.135     0.792   90.476   90.476
LGA    K    94_B      K    94_C     0.382     0    0.023   0.500     2.688  100.000   91.164
LGA    A    95_B      A    95_C     0.497     0    0.083   0.088     0.509   97.619   98.095
LGA    G    96_B      G    96_C     0.559     0    0.039   0.039     0.622   92.857   92.857
LGA    P    97_B      P    97_C     0.314     0    0.056   0.093     0.687   95.238   97.279
LGA    H    98_B      H    98_C     0.854     0    0.098   1.138     3.679   90.476   79.905
LGA    A    99_B      A    99_C     0.389     0    0.008   0.010     0.584   95.238   96.190
LGA    I   100_B      I   100_C     0.488     0    0.036   1.208     2.848  100.000   85.655
LGA    L   101_B      L   101_C     0.231     0    0.025   0.039     0.285  100.000  100.000
LGA    V   102_B      V   102_C     0.100     0    0.046   0.076     0.254  100.000  100.000
LGA    S   103_B      S   103_C     0.059     0    0.042   0.057     0.111  100.000  100.000
LGA    L   104_B      L   104_C     0.435     0    0.050   0.080     0.766   95.238   92.857
LGA    V   105_B      V   105_C     0.732     0    0.066   1.197     2.678   90.476   82.041
LGA    D   106_B      D   106_C     0.869     0    0.021   0.764     2.574   85.952   84.048
LGA    K   107_B      K   107_C     1.303     0    0.036   0.800     4.100   81.429   72.804
LGA    D   108_B      D   108_C     1.354     0    0.029   0.074     1.747   81.429   78.214
LGA    A   109_B      A   109_C     1.162     0    0.029   0.040     1.186   85.952   85.048
LGA    K   110_B      K   110_C     0.962     0    0.063   1.464     7.144   85.952   65.714
LGA    L   111_B      L   111_C     0.484     0    0.043   0.043     0.669   97.619   94.048
LGA    G   112_B      G   112_C     0.402     0    0.035   0.035     0.450  100.000  100.000
LGA    I   113_B      I   113_C     0.322     0    0.008   0.070     0.350  100.000  100.000
LGA    I   114_B      I   114_C     0.484     0    0.031   0.653     1.747  100.000   93.036
LGA    L   115_B      L   115_C     0.333     0    0.009   0.057     0.665  100.000   96.429
LGA    M   116_B      M   116_C     0.128     0    0.023   1.144     4.950  100.000   86.071
LGA    L   117_B      L   117_C     0.312     0    0.030   0.106     0.458  100.000  100.000
LGA    I   118_B      I   118_C     0.217     0    0.035   0.034     0.425  100.000  100.000
LGA    D   119_B      D   119_C     0.195     0    0.045   0.099     0.420  100.000  100.000
LGA    K   120_B      K   120_C     0.196     0    0.014   0.261     0.965  100.000   97.884
LGA    A   121_B      A   121_C     0.192     0    0.007   0.007     0.304  100.000  100.000
LGA    I   122_B      I   122_C     0.309     0    0.041   1.294     2.903  100.000   84.643
LGA    K   123_B      K   123_C     0.114     0    0.007   0.971     5.322  100.000   82.275
LGA    Q   124_B      Q   124_C     0.246     0    0.004   0.228     0.625  100.000   97.884
LGA    I   125_B      I   125_C     0.225     0    0.006   0.024     0.314  100.000  100.000
LGA    A   126_B      A   126_C     0.289     0    0.004   0.007     0.495  100.000  100.000
LGA    E   127_B      E   127_C     0.486     0    0.007   0.124     0.968   97.619   94.709
LGA    L   128_B      L   128_C     0.431     0    0.018   1.075     2.427   95.238   88.810
LGA    M   129_B      M   129_C     0.688     0    0.049   0.068     0.734   90.476   90.476
LGA    D   130_B      D   130_C     0.680     0    0.645   0.829     4.034   88.214   76.131
LGA    A   131_B      A   131_C     3.779     0    0.459   0.475     5.729   37.738   34.476

# 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):     0.749          0.782                  1.379           94.083   89.180

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    121    0.75    97.107    98.862    14.255

LGA_LOCAL      RMSD:   0.749  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.749  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   0.749  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.508707 * X  +   0.453788 * Y  +   0.731638 * Z  +  20.963978
  Y_new =  -0.137055 * X  +  -0.796291 * Y  +   0.589183 * Z  +  -6.231724
  Z_new =   0.849961 * X  +  -0.399996 * Y  +  -0.342885 * Z  +  23.133965 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.263169 -1.015911 -2.279468   [DEG:  -15.0785  -58.2074 -130.6039 ]
ZXZ:  2.248756  1.920783  2.010653   [DEG:  128.8443  110.0527  115.2019 ]
 
# END of job
