
#######################################################
#                                                     #
#                        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  122 (  924),  selected  122 , name one
# Molecule2: number of CA atoms  125 (  949),  selected  122 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   122       7_A - 128_A       2.07     2.07
  LCS_AVERAGE:     97.60

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    61      68_A - 128_A       1.82     2.24
  LCS_AVERAGE:     48.05

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58       7_A - 64_A        0.98     2.35
  LONGEST_CONTINUOUS_SEGMENT:    58      71_A - 128_A       0.99     2.39
  LCS_AVERAGE:     44.26

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  122
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     C     7_A     C     7_A     58   60  122     23   62  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     T     8_A     T     8_A     58   60  122     34   73  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     F     9_A     F     9_A     58   60  122     14   63  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     S    10_A     S    10_A     58   60  122      5   63  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     A    11_A     A    11_A     58   60  122     34   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     P    12_A     P    12_A     58   60  122     29   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     S    13_A     S    13_A     58   60  122     29   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     H    14_A     H    14_A     58   60  122     34   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     S    15_A     S    15_A     58   60  122     34   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     T    16_A     T    16_A     58   60  122     34   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     S    17_A     S    17_A     58   60  122     34   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     L    18_A     L    18_A     58   60  122     34   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     L    19_A     L    19_A     58   60  122     34   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     Q    20_A     Q    20_A     58   60  122     34   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     G    21_A     G    21_A     58   60  122     34   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     L    22_A     L    22_A     58   60  122     34   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     A    23_A     A    23_A     58   60  122     34   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     T    24_A     T    24_A     58   60  122     34   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     L    25_A     L    25_A     58   60  122     34   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     R    26_A     R    26_A     58   60  122     34   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     A    27_A     A    27_A     58   60  122     20   73  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     Q    28_A     Q    28_A     58   60  122     20   73  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     G    29_A     G    29_A     58   60  122     23   73  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     Q    30_A     Q    30_A     58   60  122     34   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     L    31_A     L    31_A     58   60  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     L    32_A     L    32_A     58   60  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     D    33_A     D    33_A     58   60  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     V    34_A     V    34_A     58   60  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     V    35_A     V    35_A     58   60  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     L    36_A     L    36_A     58   60  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     T    37_A     T    37_A     58   60  122     20   64  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     I    38_A     I    38_A     58   60  122     11   68  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     N    39_A     N    39_A     58   60  122      4   68  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     R    40_A     R    40_A     58   60  122     13   68  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     E    41_A     E    41_A     58   60  122     17   68  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     A    42_A     A    42_A     58   60  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     F    43_A     F    43_A     58   60  122     20   62  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     P    44_A     P    44_A     58   60  122     20   67  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     A    45_A     A    45_A     58   60  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     H    46_A     H    46_A     58   60  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     K    47_A     K    47_A     58   60  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     V    48_A     V    48_A     58   60  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     V    49_A     V    49_A     58   60  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     L    50_A     L    50_A     58   60  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     A    51_A     A    51_A     58   60  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     A    52_A     A    52_A     58   60  122     27   71  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     C    53_A     C    53_A     58   60  122     11   41   90  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     S    54_A     S    54_A     58   60  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     D    55_A     D    55_A     58   60  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     Y    56_A     Y    56_A     58   60  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     F    57_A     F    57_A     58   60  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     R    58_A     R    58_A     58   60  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     A    59_A     A    59_A     58   60  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     M    60_A     M    60_A     58   60  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     F    61_A     F    61_A     58   60  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     T    62_A     T    62_A     58   60  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     G    63_A     G    63_A     58   60  122     20   68  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     G    64_A     G    64_A     58   60  122      3    4    5   77  106  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     M    65_A     M    65_A      4   60  122      3    4    4    4   12   32   56   68  100  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     R    66_A     R    66_A      4   60  122      3    4    4    8   10   17   29   35   49   75  107  121  122  122  122  122  122  122  122  122 
LCS_GDT     E    67_A     E    67_A      3    6  122      3    3    4    7   15   24   34   50   99  116  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     A    68_A     A    68_A      3   61  122      3    3    5    6   12   18   33   73  103  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     S    69_A     S    69_A      4   61  122      3    4    5    9   19   32   75  116  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     Q    70_A     Q    70_A      4   61  122      3    4    5    5   12   28  110  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     D    71_A     D    71_A     58   61  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     V    72_A     V    72_A     58   61  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     I    73_A     I    73_A     58   61  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     E    74_A     E    74_A     58   61  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     L    75_A     L    75_A     58   61  122     22   68  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     K    76_A     K    76_A     58   61  122     12   48   91  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     G    77_A     G    77_A     58   61  122     15   48   91  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     V    78_A     V    78_A     58   61  122      4   43   91  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     S    79_A     S    79_A     58   61  122     15   43   80  110  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     A    80_A     A    80_A     58   61  122     21   55   94  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     R    81_A     R    81_A     58   61  122     21   55   97  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     G    82_A     G    82_A     58   61  122     36   68  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     L    83_A     L    83_A     58   61  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     R    84_A     R    84_A     58   61  122     36   71  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     H    85_A     H    85_A     58   61  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     I    86_A     I    86_A     58   61  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     I    87_A     I    87_A     58   61  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     D    88_A     D    88_A     58   61  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     F    89_A     F    89_A     58   61  122     33   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     A    90_A     A    90_A     58   61  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     Y    91_A     Y    91_A     58   61  122     36   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     S    92_A     S    92_A     58   61  122     31   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     A    93_A     A    93_A     58   61  122     22   73  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     E    94_A     E    94_A     58   61  122     22   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     V    95_A     V    95_A     58   61  122      9   68  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     T    96_A     T    96_A     58   61  122      4   30  101  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     L    97_A     L    97_A     58   61  122     11   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     D    98_A     D    98_A     58   61  122     19   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     L    99_A     L    99_A     58   61  122     20   68  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     D   100_A     D   100_A     58   61  122      6   40  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     C   101_A     C   101_A     58   61  122      6   73  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     V   102_A     V   102_A     58   61  122     13   69  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     Q   103_A     Q   103_A     58   61  122      9   40  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     D   104_A     D   104_A     58   61  122      9   73  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     V   105_A     V   105_A     58   61  122     22   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     L   106_A     L   106_A     58   61  122     22   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     G   107_A     G   107_A     58   61  122     27   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     A   108_A     A   108_A     58   61  122     28   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     A   109_A     A   109_A     58   61  122     27   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     V   110_A     V   110_A     58   61  122     27   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     F   111_A     F   111_A     58   61  122     34   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     L   112_A     L   112_A     58   61  122     21   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     Q   113_A     Q   113_A     58   61  122     21   73  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     M   114_A     M   114_A     58   61  122     21   73  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     L   115_A     L   115_A     58   61  122     21   53  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     P   116_A     P   116_A     58   61  122     21   73  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     V   117_A     V   117_A     58   61  122     22   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     V   118_A     V   118_A     58   61  122     22   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     E   119_A     E   119_A     58   61  122     21   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     L   120_A     L   120_A     58   61  122     22   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     C   121_A     C   121_A     58   61  122     22   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     E   122_A     E   122_A     58   61  122     22   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     E   123_A     E   123_A     58   61  122     21   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     F   124_A     F   124_A     58   61  122     22   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     L   125_A     L   125_A     58   61  122     22   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     K   126_A     K   126_A     58   61  122     21   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     A   127_A     A   127_A     58   61  122     21   74  103  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_GDT     A   128_A     A   128_A     58   61  122      3   37  101  113  115  115  116  117  118  119  121  121  122  122  122  122  122  122  122  122 
LCS_AVERAGE  LCS_A:  63.30  (  44.26   48.05   97.60 )

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     36     74    103    113    115    115    116    117    118    119    121    121    122    122    122    122    122    122    122    122 
GDT PERCENT_AT  28.80  59.20  82.40  90.40  92.00  92.00  92.80  93.60  94.40  95.20  96.80  96.80  97.60  97.60  97.60  97.60  97.60  97.60  97.60  97.60
GDT RMS_LOCAL    0.32   0.71   0.91   1.04   1.07   1.07   1.14   1.29   1.47   1.64   1.91   1.91   2.07   2.07   2.07   2.07   2.07   2.07   2.07   2.07
GDT RMS_ALL_AT   2.39   2.21   2.20   2.19   2.19   2.19   2.17   2.14   2.12   2.10   2.07   2.07   2.07   2.07   2.07   2.07   2.07   2.07   2.07   2.07

# Checking swapping
#   possible swapping detected:  F     9_A      F     9_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  F    43_A      F    43_A
#   possible swapping detected:  Y    56_A      Y    56_A
#   possible swapping detected:  D    71_A      D    71_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  D    98_A      D    98_A
#   possible swapping detected:  E   123_A      E   123_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    C     7_A      C     7_A     1.688     0    0.084   0.697     2.222   79.405   75.873
LGA    T     8_A      T     8_A     1.217     0    0.049   0.067     1.609   79.286   81.497
LGA    F     9_A      F     9_A     1.336     0    0.043   0.220     2.769   81.429   70.216
LGA    S    10_A      S    10_A     1.427     0    0.101   0.602     2.951   79.286   75.952
LGA    A    11_A      A    11_A     0.806     0    0.031   0.044     1.006   88.214   88.667
LGA    P    12_A      P    12_A     1.024     0    0.055   0.166     1.453   81.429   81.429
LGA    S    13_A      S    13_A     1.075     0    0.047   0.116     1.160   81.429   81.429
LGA    H    14_A      H    14_A     0.908     0    0.030   0.126     1.420   90.476   86.857
LGA    S    15_A      S    15_A     0.905     0    0.034   0.071     0.960   90.476   90.476
LGA    T    16_A      T    16_A     1.044     0    0.055   0.064     1.203   81.429   81.429
LGA    S    17_A      S    17_A     0.903     0    0.018   0.050     1.103   88.214   87.460
LGA    L    18_A      L    18_A     0.723     0    0.034   0.627     1.847   90.476   88.333
LGA    L    19_A      L    19_A     1.024     0    0.052   1.356     4.317   88.214   76.131
LGA    Q    20_A      Q    20_A     1.075     0    0.032   0.712     2.514   81.429   78.783
LGA    G    21_A      G    21_A     1.109     0    0.025   0.025     1.120   81.429   81.429
LGA    L    22_A      L    22_A     0.796     0    0.024   0.138     0.997   90.476   90.476
LGA    A    23_A      A    23_A     1.080     0    0.013   0.015     1.213   83.690   83.238
LGA    T    24_A      T    24_A     1.233     0    0.069   1.147     3.652   81.429   73.605
LGA    L    25_A      L    25_A     1.097     0    0.021   0.089     1.305   81.429   84.821
LGA    R    26_A      R    26_A     1.140     0    0.029   1.162     4.332   79.286   76.883
LGA    A    27_A      A    27_A     1.654     0    0.042   0.040     1.697   75.000   74.571
LGA    Q    28_A      Q    28_A     1.668     0    0.017   1.395     6.107   72.857   58.095
LGA    G    29_A      G    29_A     1.621     0    0.020   0.020     1.621   72.857   72.857
LGA    Q    30_A      Q    30_A     1.230     0    0.013   1.027     2.556   85.952   79.841
LGA    L    31_A      L    31_A     0.961     0    0.032   0.166     1.077   83.690   88.274
LGA    L    32_A      L    32_A     1.174     0    0.045   0.196     1.414   81.429   81.429
LGA    D    33_A      D    33_A     1.193     0    0.053   0.090     1.193   83.690   83.690
LGA    V    34_A      V    34_A     0.781     0    0.039   0.080     0.927   90.476   90.476
LGA    V    35_A      V    35_A     0.871     0    0.017   0.041     1.264   90.476   86.599
LGA    L    36_A      L    36_A     0.662     0    0.081   0.145     0.805   90.476   91.667
LGA    T    37_A      T    37_A     1.180     0    0.125   1.128     2.752   81.429   75.578
LGA    I    38_A      I    38_A     1.188     0    0.030   0.574     4.057   81.429   71.667
LGA    N    39_A      N    39_A     1.019     0    0.573   0.556     2.978   77.619   70.298
LGA    R    40_A      R    40_A     1.318     0    0.045   1.195     3.816   79.286   68.268
LGA    E    41_A      E    41_A     1.002     0    0.032   1.023     3.406   85.952   76.243
LGA    A    42_A      A    42_A     0.600     0    0.030   0.029     1.257   88.214   88.667
LGA    F    43_A      F    43_A     1.256     0    0.137   0.263     2.626   85.952   74.719
LGA    P    44_A      P    44_A     1.244     0    0.046   0.164     1.885   79.286   76.531
LGA    A    45_A      A    45_A     0.794     0    0.023   0.031     0.946   90.476   90.476
LGA    H    46_A      H    46_A     0.756     0    0.030   0.071     0.883   92.857   91.429
LGA    K    47_A      K    47_A     0.616     0    0.018   0.104     1.051   90.476   89.471
LGA    V    48_A      V    48_A     0.558     0    0.084   0.138     0.768   92.857   91.837
LGA    V    49_A      V    49_A     0.178     0    0.023   0.076     0.463  100.000  100.000
LGA    L    50_A      L    50_A     0.321     0    0.026   0.081     1.040   97.619   92.976
LGA    A    51_A      A    51_A     0.570     0    0.031   0.036     1.125   90.595   90.571
LGA    A    52_A      A    52_A     1.072     0    0.017   0.073     1.620   81.548   83.333
LGA    C    53_A      C    53_A     1.683     0    0.127   0.165     2.696   79.286   73.175
LGA    S    54_A      S    54_A     0.556     0    0.039   0.100     0.807   95.238   93.651
LGA    D    55_A      D    55_A     0.604     0    0.069   0.191     1.683   97.619   90.714
LGA    Y    56_A      Y    56_A     0.394     0    0.037   0.162     2.192  100.000   86.310
LGA    F    57_A      F    57_A     0.429     0    0.039   0.156     0.758  100.000   97.403
LGA    R    58_A      R    58_A     0.527     0    0.043   1.456     6.741   95.238   69.481
LGA    A    59_A      A    59_A     0.496     0    0.026   0.024     0.568   95.238   94.286
LGA    M    60_A      M    60_A     0.473     0    0.028   0.186     1.414   97.619   94.107
LGA    F    61_A      F    61_A     0.540     0    0.050   0.131     0.981   92.857   94.805
LGA    T    62_A      T    62_A     0.979     0    0.102   0.149     1.659   88.214   84.082
LGA    G    63_A      G    63_A     1.167     0    0.634   0.634     1.726   81.548   81.548
LGA    G    64_A      G    64_A     4.152     0    0.279   0.279     7.387   29.643   29.643
LGA    M    65_A      M    65_A     8.340     0    0.689   1.402    12.654    7.976    4.226
LGA    R    66_A      R    66_A     9.773     0    0.221   1.484    16.204    1.905    0.693
LGA    E    67_A      E    67_A     8.177     0    0.659   0.985     8.674    4.881    5.873
LGA    A    68_A      A    68_A     8.390     0    0.680   0.622     9.733    8.214    6.667
LGA    S    69_A      S    69_A     7.810     0    0.691   0.873    10.876   11.667    8.254
LGA    Q    70_A      Q    70_A     6.649     0    0.123   1.014    13.001   22.262   10.265
LGA    D    71_A      D    71_A     0.891     0    0.633   1.158     4.158   81.786   62.619
LGA    V    72_A      V    72_A     0.743     0    0.012   0.058     1.006   90.476   89.184
LGA    I    73_A      I    73_A     0.545     0    0.034   0.625     1.704   90.476   88.274
LGA    E    74_A      E    74_A     0.607     0    0.022   0.879     3.560   95.238   73.862
LGA    L    75_A      L    75_A     0.909     0    0.236   0.288     2.237   81.786   86.131
LGA    K    76_A      K    76_A     2.079     0    0.083   0.620     2.913   66.786   64.974
LGA    G    77_A      G    77_A     2.161     0    0.080   0.080     2.183   68.810   68.810
LGA    V    78_A      V    78_A     1.967     0    0.045   0.080     2.259   72.857   70.544
LGA    S    79_A      S    79_A     2.388     0    0.040   0.145     3.343   70.952   63.968
LGA    A    80_A      A    80_A     1.696     0    0.047   0.057     2.021   75.000   72.952
LGA    R    81_A      R    81_A     1.731     0    0.029   1.173     7.729   77.143   53.333
LGA    G    82_A      G    82_A     1.024     0    0.019   0.019     1.366   88.333   88.333
LGA    L    83_A      L    83_A     0.518     0    0.032   0.106     0.659   92.857   94.048
LGA    R    84_A      R    84_A     0.954     0    0.017   1.287     6.224   90.476   60.519
LGA    H    85_A      H    85_A     0.547     0    0.028   0.763     2.196   95.238   84.571
LGA    I    86_A      I    86_A     0.377     0    0.028   0.143     0.578  100.000   98.810
LGA    I    87_A      I    87_A     0.439     0    0.033   0.077     0.538  100.000   97.619
LGA    D    88_A      D    88_A     0.523     0    0.074   0.228     0.865   92.857   92.857
LGA    F    89_A      F    89_A     0.616     0    0.027   0.104     1.176   90.476   88.009
LGA    A    90_A      A    90_A     0.687     0    0.032   0.031     1.060   88.214   88.667
LGA    Y    91_A      Y    91_A     0.878     0    0.011   0.082     0.961   90.476   90.476
LGA    S    92_A      S    92_A     0.988     0    0.041   0.074     1.376   85.952   87.460
LGA    A    93_A      A    93_A     1.066     0    0.035   0.046     1.269   83.690   83.238
LGA    E    94_A      E    94_A     0.988     0    0.067   0.125     1.618   90.476   84.497
LGA    V    95_A      V    95_A     1.420     0    0.019   0.065     1.610   81.429   80.204
LGA    T    96_A      T    96_A     1.651     0    0.083   0.122     2.124   70.833   71.701
LGA    L    97_A      L    97_A     1.061     0    0.072   1.268     3.493   83.690   78.631
LGA    D    98_A      D    98_A     0.603     0    0.046   0.228     1.214   88.214   90.536
LGA    L    99_A      L    99_A     1.216     0    0.086   1.378     3.938   81.548   77.857
LGA    D   100_A      D   100_A     1.529     0    0.133   0.949     4.953   79.286   62.024
LGA    C   101_A      C   101_A     1.370     0    0.048   0.059     1.370   81.429   82.937
LGA    V   102_A      V   102_A     1.280     0    0.035   0.093     1.471   81.429   81.429
LGA    Q   103_A      Q   103_A     1.663     0    0.011   0.826     2.440   77.143   72.063
LGA    D   104_A      D   104_A     1.368     0    0.031   0.081     2.241   83.690   76.250
LGA    V   105_A      V   105_A     0.713     0    0.020   0.051     0.815   90.476   90.476
LGA    L   106_A      L   106_A     0.674     0    0.017   0.103     0.951   90.476   90.476
LGA    G   107_A      G   107_A     0.551     0    0.033   0.033     0.753   95.238   95.238
LGA    A   108_A      A   108_A     0.591     0    0.057   0.065     0.917   95.238   94.286
LGA    A   109_A      A   109_A     0.581     0    0.027   0.029     0.657   90.476   90.476
LGA    V   110_A      V   110_A     0.472     0    0.019   0.043     0.574   95.238   95.918
LGA    F   111_A      F   111_A     0.303     0    0.009   0.478     1.165  100.000   93.983
LGA    L   112_A      L   112_A     1.031     0    0.014   0.070     1.469   83.690   82.560
LGA    Q   113_A      Q   113_A     1.308     0    0.070   0.255     2.058   75.119   77.672
LGA    M   114_A      M   114_A     1.526     0    0.022   0.803     2.172   79.286   73.036
LGA    L   115_A      L   115_A     1.536     0    0.060   0.163     2.468   77.143   71.964
LGA    P   116_A      P   116_A     1.280     0    0.096   0.143     1.997   79.286   77.755
LGA    V   117_A      V   117_A     0.905     0    0.025   0.047     1.088   88.214   87.891
LGA    V   118_A      V   118_A     0.708     0    0.026   0.093     0.822   90.476   90.476
LGA    E   119_A      E   119_A     1.008     0    0.064   0.407     2.296   88.214   81.640
LGA    L   120_A      L   120_A     0.942     0    0.038   0.095     1.097   88.214   88.214
LGA    C   121_A      C   121_A     0.615     0    0.013   0.018     0.718   92.857   93.651
LGA    E   122_A      E   122_A     0.613     0    0.029   0.346     2.180   90.476   86.614
LGA    E   123_A      E   123_A     0.899     0    0.024   0.843     2.697   90.476   76.508
LGA    F   124_A      F   124_A     0.788     0    0.021   0.278     1.272   90.476   88.009
LGA    L   125_A      L   125_A     0.510     0    0.021   1.306     2.990   90.476   80.119
LGA    K   126_A      K   126_A     0.809     0    0.120   1.384     7.212   88.214   65.185
LGA    A   127_A      A   127_A     0.933     0    0.122   0.131     0.988   90.476   90.476
LGA    A   128_A      A   128_A     1.528     0    0.605   0.594     2.993   71.071   71.429

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      122     488    488  100.00     924    924  100.00               125
SUMMARY(RMSD_GDC):     2.068          2.012                  2.587           79.930   76.329

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  122  125    4.0    117    1.29    85.200    79.026     8.392

LGA_LOCAL      RMSD:   1.294  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.141  Number of assigned atoms:  122 
Std_ASGN_ATOMS RMSD:   2.068  Standard rmsd on all 122 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.752389 * X  +  -0.399668 * Y  +  -0.523619 * Z  +  21.820120
  Y_new =   0.504009 * X  +  -0.861099 * Y  +  -0.066951 * Z  +  21.153254
  Z_new =  -0.424129 * X  +  -0.314282 * Y  +   0.849318 * Z  +  -5.548096 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.551369  0.438000 -0.354416   [DEG:  146.1827   25.0956  -20.3065 ]
ZXZ: -1.443624  0.556104 -2.208516   [DEG:  -82.7135   31.8624 -126.5386 ]
 
# END of job
