
#######################################################
#                                                     #
#                        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       0.82     0.82
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.82     0.82
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.82     0.82
  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     64  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     71  106  117  119  119  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     68  106  117  119  119  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     73  106  117  119  119  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     24   98  114  119  119  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      4    4    4   19  115  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     49  106  117  119  119  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      5   87  117  119  119  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  106  117  119  119  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     64  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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  106  117  119  119  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     59  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     61  106  117  119  119  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     43  106  117  119  119  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     73  106  117  119  119  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     38  100  114  119  119  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     49  105  117  119  119  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     49  105  117  119  119  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     73  106  117  119  119  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     71  106  117  119  119  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     69  105  117  119  119  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     70  106  117  119  119  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     69  106  117  119  119  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     71  106  117  119  119  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     73  106  117  119  119  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     71  106  117  119  119  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  106  117  119  119  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  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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  106  117  119  119  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     10  101  117  119  119  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  106  117  119  119  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     61  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     39  106  117  119  119  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     10   95  117  119  119  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     10   87  117  119  119  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     21   87  117  119  119  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     38  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     67  106  117  119  119  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     28  106  117  119  119  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     39  106  117  119  119  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      5   87  117  119  119  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      5   80  117  119  119  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     17   94  117  119  119  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     53  106  117  119  119  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     61  106  117  119  119  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     69  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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     73  106  117  119  119  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  106  117  119  119  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  106  117  119  119  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      2    3   44   59  112  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     73    106    117    119    119    121    121    121    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  60.33  87.60  96.69  98.35  98.35 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.49   0.64   0.68   0.68   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82
GDT RMS_ALL_AT   0.85   0.83   0.83   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82

# Checking swapping
#   possible swapping detected:  D    28_B      D    28_C
#   possible swapping detected:  D    49_B      D    49_C
#   possible swapping detected:  Y    77_B      Y    77_C
#   possible swapping detected:  E    84_B      E    84_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     0.710     0    0.162   1.097     5.273   90.476   68.095
LGA    T    12_B      T    12_C     0.486     0    0.008   1.173     3.053   97.619   84.014
LGA    D    13_B      D    13_C     0.303     0    0.009   1.174     4.537  100.000   80.714
LGA    K    14_B      K    14_C     0.228     0    0.008   0.628     3.062  100.000   90.317
LGA    L    15_B      L    15_C     0.179     0    0.034   0.112     0.575  100.000   98.810
LGA    W    16_B      W    16_C     0.087     0    0.048   0.058     0.740  100.000   94.558
LGA    Y    17_B      Y    17_C     0.130     0    0.003   0.179     0.989  100.000   96.825
LGA    I    18_B      I    18_C     0.286     0    0.008   0.059     0.426  100.000  100.000
LGA    L    19_B      L    19_C     0.349     0    0.019   0.046     0.461  100.000  100.000
LGA    Q    20_B      Q    20_C     0.395     0    0.042   1.291     3.388  100.000   83.651
LGA    E    21_B      E    21_C     0.523     0    0.024   0.782     2.944   92.857   82.169
LGA    L    22_B      L    22_C     0.707     0    0.055   1.371     3.122   90.476   81.071
LGA    T    23_B      T    23_C     0.578     0    0.074   0.111     0.859   90.476   90.476
LGA    S    24_B      S    24_C     0.337     0    0.037   0.079     1.047   97.619   93.730
LGA    N    25_B      N    25_C     1.632     0    0.532   0.730     5.434   69.286   54.583
LGA    R    26_B      R    26_C     3.184     0    0.539   1.086     7.126   54.167   35.584
LGA    G    27_B      G    27_C     0.887     0    0.160   0.160     1.052   88.214   88.214
LGA    D    28_B      D    28_C     1.401     0    0.179   0.976     2.396   85.952   77.440
LGA    I    29_B      I    29_C     0.549     0    0.032   0.051     1.087   90.476   89.345
LGA    Q    30_B      Q    30_C     0.595     0    0.060   0.206     1.990   97.619   86.772
LGA    G    31_B      G    31_C     0.193     0    0.069   0.069     0.400  100.000  100.000
LGA    C    32_B      C    32_C     0.307     0    0.010   0.814     2.227  100.000   92.540
LGA    T    33_B      T    33_C     0.224     0    0.036   0.139     0.362  100.000  100.000
LGA    I    34_B      I    34_C     0.251     0    0.022   0.031     0.277  100.000  100.000
LGA    V    35_B      V    35_C     0.082     0    0.015   1.072     2.314  100.000   89.932
LGA    T    36_B      T    36_C     0.365     0    0.019   0.045     0.556  100.000   95.918
LGA    T    37_B      T    37_C     0.444     0    0.013   0.040     1.009  100.000   94.626
LGA    Q    38_B      Q    38_C     0.562     0    0.069   0.998     4.398   92.857   82.646
LGA    G    39_B      G    39_C     0.633     0    0.045   0.045     0.992   90.476   90.476
LGA    L    40_B      L    40_C     0.887     0    0.034   0.059     1.929   92.857   83.929
LGA    P    41_B      P    41_C     0.415     0    0.020   0.278     0.780   97.619   94.558
LGA    I    42_B      I    42_C     0.387     0    0.032   0.052     0.496  100.000  100.000
LGA    T    43_B      T    43_C     0.406     0    0.044   0.093     0.612  100.000   98.639
LGA    S    44_B      S    44_C     0.277     0    0.017   0.558     2.467   97.619   92.540
LGA    L    45_B      L    45_C     0.493     0    0.116   0.477     1.267   97.619   92.917
LGA    L    46_B      L    46_C     0.681     0    0.016   0.054     0.875   90.476   90.476
LGA    A    47_B      A    47_C     0.880     0    0.017   0.022     1.173   90.476   88.667
LGA    D    48_B      D    48_C     0.160     0    0.066   0.121     1.105   90.595   90.595
LGA    D    49_B      D    49_C     1.647     0    0.154   0.839     2.539   79.286   76.369
LGA    A    50_B      A    50_C     1.109     0    0.028   0.037     1.211   81.429   83.238
LGA    N    51_B      N    51_C     1.091     0    0.068   0.136     1.616   83.690   81.488
LGA    V    52_B      V    52_C     0.629     0    0.039   0.151     0.837   90.476   90.476
LGA    S    53_B      S    53_C     0.765     0    0.004   0.659     3.010   88.214   82.222
LGA    L    54_B      L    54_C     1.046     0    0.025   0.075     1.144   83.690   83.690
LGA    I    55_B      I    55_C     0.923     0    0.019   0.048     0.971   90.476   90.476
LGA    S    56_B      S    56_C     0.847     0    0.009   0.041     0.891   90.476   90.476
LGA    A    57_B      A    57_C     0.785     0    0.000   0.006     0.831   90.476   90.476
LGA    M    58_B      M    58_C     0.681     0    0.027   0.909     3.339   90.476   80.357
LGA    S    59_B      S    59_C     0.722     0    0.012   0.637     3.031   90.476   83.730
LGA    A    60_B      A    60_C     0.678     0    0.009   0.008     0.690   90.476   90.476
LGA    A    61_B      A    61_C     0.682     0    0.007   0.011     0.725   90.476   90.476
LGA    I    62_B      I    62_C     0.605     0    0.024   0.128     0.750   95.238   92.857
LGA    I    63_B      I    63_C     0.257     0    0.022   0.042     0.358  100.000  100.000
LGA    S    64_B      S    64_C     0.344     0    0.024   0.736     2.195   97.619   92.540
LGA    V    65_B      V    65_C     0.373     0    0.017   0.054     0.395  100.000  100.000
LGA    A    66_B      A    66_C     0.399     0    0.036   0.038     0.551  100.000   98.095
LGA    E    67_B      E    67_C     0.340     0    0.033   1.170     4.669  100.000   80.688
LGA    S    68_B      S    68_C     0.249     0    0.005   0.700     2.434  100.000   94.127
LGA    A    69_B      A    69_C     0.245     0    0.000   0.004     0.331  100.000  100.000
LGA    S    70_B      S    70_C     0.584     0    0.015   0.019     0.854   92.857   92.063
LGA    Q    71_B      Q    71_C     0.776     0    0.006   0.772     3.464   90.476   75.714
LGA    E    72_B      E    72_C     0.579     0    0.032   0.683     2.165   90.476   82.804
LGA    L    73_B      L    73_C     0.607     0    0.052   0.257     0.797   90.476   92.857
LGA    Q    74_B      Q    74_C     0.697     0    0.115   0.240     3.039   95.238   80.317
LGA    R    75_B      R    75_C     0.441     0    0.077   1.474     3.902   97.619   80.823
LGA    G    76_B      G    76_C     0.613     0    0.053   0.053     0.646   95.238   95.238
LGA    Y    77_B      Y    77_C     1.263     0    0.036   1.278     8.818   85.952   50.040
LGA    L    78_B      L    78_C     0.367     0    0.095   0.169     0.718   92.857   95.238
LGA    Q    79_B      Q    79_C     0.696     0    0.042   0.942     2.938   95.238   85.873
LGA    R    80_B      R    80_C     0.465     0    0.059   1.147     4.195  100.000   83.420
LGA    I    81_B      I    81_C     0.495     0    0.037   0.678     2.831   95.238   89.881
LGA    L    82_B      L    82_C     0.326     0    0.021   0.789     1.995  100.000   90.833
LGA    L    83_B      L    83_C     0.242     0    0.062   0.752     1.841  100.000   93.214
LGA    E    84_B      E    84_C     0.167     0    0.072   0.483     1.968   97.619   93.810
LGA    G    85_B      G    85_C     1.024     0    0.019   0.019     1.059   85.952   85.952
LGA    E    86_B      E    86_C     1.318     0    0.069   0.736     2.639   79.286   75.926
LGA    L    87_B      L    87_C     1.693     0    0.054   0.050     2.367   72.857   69.821
LGA    G    88_B      G    88_C     1.698     0    0.065   0.065     1.698   77.143   77.143
LGA    T    89_B      T    89_C     0.936     0    0.024   0.112     1.243   85.952   85.306
LGA    I    90_B      I    90_C     0.355     0    0.021   0.028     0.443  100.000  100.000
LGA    I    91_B      I    91_C     0.114     0    0.037   0.082     0.531  100.000   98.810
LGA    I    92_B      I    92_C     0.295     0    0.024   0.032     0.325  100.000  100.000
LGA    S    93_B      S    93_C     0.343     0    0.017   0.143     0.656  100.000   98.413
LGA    K    94_B      K    94_C     0.282     0    0.017   0.371     1.762  100.000   95.926
LGA    A    95_B      A    95_C     0.317     0    0.044   0.043     0.510   97.619   98.095
LGA    G    96_B      G    96_C     0.453     0    0.053   0.053     0.578   97.619   97.619
LGA    P    97_B      P    97_C     0.290     0    0.055   0.098     0.430  100.000  100.000
LGA    H    98_B      H    98_C     0.502     0    0.035   1.144     3.099   97.619   86.000
LGA    A    99_B      A    99_C     0.252     0    0.013   0.016     0.398  100.000  100.000
LGA    I   100_B      I   100_C     0.385     0    0.034   1.206     2.768  100.000   84.643
LGA    L   101_B      L   101_C     0.232     0    0.022   0.035     0.281  100.000  100.000
LGA    V   102_B      V   102_C     0.155     0    0.038   0.069     0.289  100.000  100.000
LGA    S   103_B      S   103_C     0.167     0    0.056   0.073     0.198  100.000  100.000
LGA    L   104_B      L   104_C     0.556     0    0.050   0.088     1.049   92.857   90.536
LGA    V   105_B      V   105_C     0.846     0    0.078   1.198     2.764   90.476   82.041
LGA    D   106_B      D   106_C     0.933     0    0.039   0.873     2.508   83.810   76.429
LGA    K   107_B      K   107_C     1.635     0    0.065   0.993     7.803   75.000   55.556
LGA    D   108_B      D   108_C     1.758     0    0.045   0.075     2.288   72.857   69.821
LGA    A   109_B      A   109_C     1.344     0    0.038   0.051     1.434   83.690   83.238
LGA    K   110_B      K   110_C     0.999     0    0.044   1.467     7.827   85.952   63.175
LGA    L   111_B      L   111_C     0.608     0    0.044   1.357     3.305   92.857   81.190
LGA    G   112_B      G   112_C     0.495     0    0.025   0.025     0.533   95.238   95.238
LGA    I   113_B      I   113_C     0.283     0    0.007   0.070     0.393  100.000  100.000
LGA    I   114_B      I   114_C     0.431     0    0.027   0.658     1.964  100.000   94.226
LGA    L   115_B      L   115_C     0.355     0    0.017   0.025     0.821  100.000   96.429
LGA    M   116_B      M   116_C     0.138     0    0.021   1.188     5.218  100.000   84.524
LGA    L   117_B      L   117_C     0.296     0    0.025   0.128     0.521  100.000   98.810
LGA    I   118_B      I   118_C     0.294     0    0.034   0.033     0.584  100.000   98.810
LGA    D   119_B      D   119_C     0.236     0    0.040   0.078     0.367  100.000  100.000
LGA    K   120_B      K   120_C     0.289     0    0.019   0.268     0.972  100.000   97.884
LGA    A   121_B      A   121_C     0.244     0    0.019   0.019     0.275  100.000  100.000
LGA    I   122_B      I   122_C     0.328     0    0.021   0.025     0.447  100.000  100.000
LGA    K   123_B      K   123_C     0.329     0    0.006   0.968     4.955  100.000   84.550
LGA    Q   124_B      Q   124_C     0.321     0    0.005   0.263     0.894  100.000   97.884
LGA    I   125_B      I   125_C     0.280     0    0.005   0.022     0.393  100.000  100.000
LGA    A   126_B      A   126_C     0.426     0    0.000   0.000     0.629   95.238   96.190
LGA    E   127_B      E   127_C     0.616     0    0.005   0.125     1.136   90.476   89.471
LGA    L   128_B      L   128_C     0.387     0    0.026   1.056     2.289  100.000   91.190
LGA    M   129_B      M   129_C     0.550     0    0.064   0.078     0.684   92.857   94.048
LGA    D   130_B      D   130_C     0.630     0    0.631   0.865     4.341   88.214   73.214
LGA    A   131_B      A   131_C     3.978     0    0.202   0.275     6.107   35.238   31.619

# 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):     0.819          0.847                  1.504           93.445   88.338

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    121    0.82    96.488    98.550    13.169

LGA_LOCAL      RMSD:   0.819  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.819  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   0.819  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.819775 * X  +   0.388223 * Y  +   0.421014 * Z  +  22.093515
  Y_new =  -0.002123 * X  +   0.733091 * Y  +  -0.680127 * Z  +  -3.895512
  Z_new =  -0.572682 * X  +  -0.558445 * Y  +  -0.600145 * Z  +  20.606705 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.139003  0.609774 -2.392171   [DEG: -179.8516   34.9375 -137.0613 ]
ZXZ:  0.554289  2.214479 -2.343608   [DEG:   31.7584  126.8803 -134.2788 ]
 
# END of job
