
#######################################################
#                                                     #
#                        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  121 (  918),  selected  121 , name one
# Molecule2: number of CA atoms  125 (  949),  selected  121 , 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:   121       8_A - 128_A       1.99     1.99
  LCS_AVERAGE:     96.80

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121       8_A - 128_A       1.99     1.99
  LCS_AVERAGE:     96.80

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49      14_A - 62_A        1.00     2.34
  LCS_AVERAGE:     33.47

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     T     8_A     T     8_A     16  121  121      5   12   28   43   77   82  101  113  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     F     9_A     F     9_A     16  121  121      5   20   32   64   77   95  111  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    10_A     S    10_A     28  121  121      5   22   57   74   90  109  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    11_A     A    11_A     28  121  121      5   28   68   93  107  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    12_A     P    12_A     28  121  121      5   21   60   74   98  111  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    13_A     S    13_A     28  121  121      8   28   79   96  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     H    14_A     H    14_A     49  121  121     14   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    15_A     S    15_A     49  121  121     12   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    16_A     T    16_A     49  121  121      8   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    17_A     S    17_A     49  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    18_A     L    18_A     49  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    19_A     L    19_A     49  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    20_A     Q    20_A     49  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    21_A     G    21_A     49  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    22_A     L    22_A     49  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    23_A     A    23_A     49  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    24_A     T    24_A     49  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    25_A     L    25_A     49  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    26_A     R    26_A     49  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    27_A     A    27_A     49  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    28_A     Q    28_A     49  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    29_A     G    29_A     49  121  121     26   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    30_A     Q    30_A     49  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    31_A     L    31_A     49  121  121     23   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    32_A     L    32_A     49  121  121     23   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    33_A     D    33_A     49  121  121     18   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    34_A     V    34_A     49  121  121     20   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    35_A     V    35_A     49  121  121     20   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    36_A     L    36_A     49  121  121     19   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    37_A     T    37_A     49  121  121     20   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    38_A     I    38_A     49  121  121      4   26   65  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    39_A     N    39_A     49  121  121      5   23   66  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    40_A     R    40_A     49  121  121      3   35   84  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    41_A     E    41_A     49  121  121     20   50   80  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    42_A     A    42_A     49  121  121     20   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     F    43_A     F    43_A     49  121  121     19   50   80  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    44_A     P    44_A     49  121  121     19   50   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    45_A     A    45_A     49  121  121     23   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     H    46_A     H    46_A     49  121  121     23   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    47_A     K    47_A     49  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    48_A     V    48_A     49  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    49_A     V    49_A     49  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    50_A     L    50_A     49  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    51_A     A    51_A     49  121  121     23   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    52_A     A    52_A     49  121  121     23   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     C    53_A     C    53_A     49  121  121     16   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    54_A     S    54_A     49  121  121     21   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    55_A     D    55_A     49  121  121     23   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    56_A     Y    56_A     49  121  121     21   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     F    57_A     F    57_A     49  121  121     20   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    58_A     R    58_A     49  121  121     23   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    59_A     A    59_A     49  121  121     23   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     M    60_A     M    60_A     49  121  121     20   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     F    61_A     F    61_A     49  121  121     20   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    62_A     T    62_A     49  121  121      5   37   70   99  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    63_A     G    63_A     38  121  121      3    4   41   75  102  110  113  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    64_A     G    64_A     37  121  121      4   36   70   83  104  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     M    65_A     M    65_A      4  121  121      3    4    4    6   12   36   80  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    66_A     R    66_A      4  121  121      3    4    4    6    8   43   80  103  108  116  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    67_A     E    67_A      4  121  121      3    4    4    6    6   10   16   21   49   87  118  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    68_A     A    68_A      3  121  121      2    3    3    4    8   17   22   58   89  113  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    69_A     S    69_A     29  121  121      3   39   70  101  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    70_A     Q    70_A     29  121  121      9   50   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    71_A     D    71_A     29  121  121     17   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    72_A     V    72_A     29  121  121     12   55   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    73_A     I    73_A     29  121  121      6   48   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    74_A     E    74_A     29  121  121      9   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    75_A     L    75_A     29  121  121     21   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    76_A     K    76_A     29  121  121     10   50   71  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    77_A     G    77_A     29  121  121      5   34   75  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    78_A     V    78_A     29  121  121     17   50   70  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    79_A     S    79_A     29  121  121      5   46   70  101  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    80_A     A    80_A     29  121  121     19   50   72  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    81_A     R    81_A     29  121  121     23   56   77  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    82_A     G    82_A     29  121  121     23   56   80  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    83_A     L    83_A     42  121  121     23   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    84_A     R    84_A     44  121  121     23   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     H    85_A     H    85_A     44  121  121     23   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    86_A     I    86_A     44  121  121     23   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    87_A     I    87_A     44  121  121     23   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    88_A     D    88_A     44  121  121     23   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     F    89_A     F    89_A     44  121  121     23   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    90_A     A    90_A     44  121  121     23   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    91_A     Y    91_A     44  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    92_A     S    92_A     44  121  121     23   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    93_A     A    93_A     44  121  121     27   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    94_A     E    94_A     44  121  121     23   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    95_A     V    95_A     44  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    96_A     T    96_A     44  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    97_A     L    97_A     44  121  121      4   55   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    98_A     D    98_A     44  121  121      4    5   62   93  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    99_A     L    99_A     44  121  121      3   48   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   100_A     D   100_A     44  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     C   101_A     C   101_A     44  121  121      5   42   78  101  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   102_A     V   102_A     44  121  121     12   52   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q   103_A     Q   103_A     44  121  121     14   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   104_A     D   104_A     44  121  121     14   53   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   105_A     V   105_A     44  121  121     14   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   106_A     L   106_A     44  121  121     15   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     G   107_A     G   107_A     44  121  121     15   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   108_A     A   108_A     44  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   109_A     A   109_A     44  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   110_A     V   110_A     44  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     F   111_A     F   111_A     44  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   112_A     L   112_A     44  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q   113_A     Q   113_A     44  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   114_A     M   114_A     44  121  121     15   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   115_A     L   115_A     44  121  121     10   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     P   116_A     P   116_A     44  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   117_A     V   117_A     44  121  121     29   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   118_A     V   118_A     44  121  121     10   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     E   119_A     E   119_A     44  121  121     10   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   120_A     L   120_A     44  121  121     14   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     C   121_A     C   121_A     44  121  121     10   53   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     E   122_A     E   122_A     44  121  121     10   43   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     E   123_A     E   123_A     44  121  121     12   56   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     F   124_A     F   124_A     44  121  121     10   30   85  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   125_A     L   125_A     44  121  121     10   30   72  101  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   126_A     K   126_A     44  121  121     11   43   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   127_A     A   127_A     44  121  121     12   53   86  102  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   128_A     A   128_A     44  121  121     10   30   56   98  108  112  114  116  118  118  119  121  121  121  121  121  121  121  121  121 
LCS_AVERAGE  LCS_A:  75.69  (  33.47   96.80   96.80 )

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     29     56     86    102    108    112    114    116    118    118    119    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  23.20  44.80  68.80  81.60  86.40  89.60  91.20  92.80  94.40  94.40  95.20  96.80  96.80  96.80  96.80  96.80  96.80  96.80  96.80  96.80
GDT RMS_LOCAL    0.37   0.68   0.99   1.21   1.30   1.40   1.48   1.57   1.71   1.71   1.81   1.99   1.99   1.99   1.99   1.99   1.99   1.99   1.99   1.99
GDT RMS_ALL_AT   2.19   2.13   2.04   2.05   2.05   2.03   2.01   2.01   2.00   2.00   1.99   1.99   1.99   1.99   1.99   1.99   1.99   1.99   1.99   1.99

# Checking swapping
#   possible swapping detected:  F     9_A      F     9_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  F    43_A      F    43_A
#   possible swapping detected:  Y    91_A      Y    91_A
#   possible swapping detected:  E    94_A      E    94_A
#   possible swapping detected:  D    98_A      D    98_A
#   possible swapping detected:  F   111_A      F   111_A
#   possible swapping detected:  E   122_A      E   122_A
#   possible swapping detected:  E   123_A      E   123_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     8_A      T     8_A     5.992     0    0.127   0.151     7.214   17.500   21.429
LGA    F     9_A      F     9_A     4.944     0    0.040   0.252     6.518   32.976   25.887
LGA    S    10_A      S    10_A     3.627     0    0.046   0.636     4.208   43.452   43.413
LGA    A    11_A      A    11_A     2.797     0    0.149   0.165     2.954   57.143   57.143
LGA    P    12_A      P    12_A     3.571     0    0.078   0.250     4.271   48.333   45.306
LGA    S    13_A      S    13_A     2.604     0    0.100   0.684     3.399   62.976   59.841
LGA    H    14_A      H    14_A     1.241     0    0.069   0.163     1.852   81.548   81.524
LGA    S    15_A      S    15_A     1.260     0    0.066   0.646     1.729   81.429   80.000
LGA    T    16_A      T    16_A     1.631     0    0.036   0.999     4.512   72.857   64.626
LGA    S    17_A      S    17_A     1.359     0    0.055   0.711     3.664   81.429   75.079
LGA    L    18_A      L    18_A     0.770     0    0.027   1.408     3.849   88.214   76.071
LGA    L    19_A      L    19_A     1.117     0    0.040   0.938     4.308   81.429   72.738
LGA    Q    20_A      Q    20_A     1.312     0    0.036   0.838     3.202   81.429   76.138
LGA    G    21_A      G    21_A     1.179     0    0.038   0.038     1.226   81.429   81.429
LGA    L    22_A      L    22_A     1.079     0    0.031   0.136     1.449   81.429   81.429
LGA    A    23_A      A    23_A     1.241     0    0.031   0.045     1.333   81.429   81.429
LGA    T    24_A      T    24_A     1.265     0    0.047   1.174     3.733   81.429   72.517
LGA    L    25_A      L    25_A     1.178     0    0.036   0.310     1.528   81.429   82.679
LGA    R    26_A      R    26_A     1.165     0    0.034   1.363     3.483   81.429   71.039
LGA    A    27_A      A    27_A     1.340     0    0.074   0.074     1.634   79.286   79.714
LGA    Q    28_A      Q    28_A     1.066     0    0.167   1.310     3.941   81.429   71.111
LGA    G    29_A      G    29_A     1.107     0    0.055   0.055     1.162   81.429   81.429
LGA    Q    30_A      Q    30_A     1.227     0    0.083   1.108     3.805   85.952   72.910
LGA    L    31_A      L    31_A     0.947     0    0.031   0.235     1.047   88.214   89.345
LGA    L    32_A      L    32_A     0.883     0    0.100   1.069     4.935   83.690   69.345
LGA    D    33_A      D    33_A     1.398     0    0.210   0.970     3.040   85.952   76.548
LGA    V    34_A      V    34_A     0.809     0    0.025   0.133     0.958   90.476   90.476
LGA    V    35_A      V    35_A     1.029     0    0.052   0.062     1.155   88.214   85.306
LGA    L    36_A      L    36_A     1.132     0    0.090   0.176     1.258   83.690   83.690
LGA    T    37_A      T    37_A     1.296     0    0.129   1.130     2.899   81.429   78.027
LGA    I    38_A      I    38_A     2.230     0    0.068   1.527     5.215   66.786   60.060
LGA    N    39_A      N    39_A     2.183     0    0.241   0.246     2.938   62.857   64.821
LGA    R    40_A      R    40_A     2.061     0    0.331   2.025     7.278   72.976   46.797
LGA    E    41_A      E    41_A     1.999     0    0.136   0.641     3.596   75.000   62.804
LGA    A    42_A      A    42_A     1.220     0    0.080   0.080     1.909   75.000   76.286
LGA    F    43_A      F    43_A     1.800     0    0.111   0.226     3.674   77.143   63.939
LGA    P    44_A      P    44_A     1.526     0    0.058   0.061     1.817   77.143   75.306
LGA    A    45_A      A    45_A     0.815     0    0.038   0.065     1.077   88.214   88.667
LGA    H    46_A      H    46_A     0.891     0    0.042   0.109     1.269   90.476   85.952
LGA    K    47_A      K    47_A     0.742     0    0.048   0.494     1.377   90.476   88.466
LGA    V    48_A      V    48_A     0.801     0    0.065   0.092     0.923   90.476   90.476
LGA    V    49_A      V    49_A     0.583     0    0.028   0.071     0.682   95.238   93.197
LGA    L    50_A      L    50_A     0.473     0    0.032   0.066     1.234   97.619   90.655
LGA    A    51_A      A    51_A     0.613     0    0.074   0.071     1.144   90.595   90.571
LGA    A    52_A      A    52_A     0.911     0    0.175   0.179     1.682   83.810   83.333
LGA    C    53_A      C    53_A     1.163     0    0.168   0.162     2.077   88.214   81.746
LGA    S    54_A      S    54_A     0.972     0    0.031   0.097     1.012   90.476   88.968
LGA    D    55_A      D    55_A     1.065     0    0.055   0.241     2.406   85.952   77.440
LGA    Y    56_A      Y    56_A     0.702     0    0.029   0.356     2.086   90.476   83.889
LGA    F    57_A      F    57_A     0.497     0    0.030   0.101     0.682   95.238   98.268
LGA    R    58_A      R    58_A     0.743     0    0.036   1.215     5.669   90.476   73.550
LGA    A    59_A      A    59_A     0.955     0    0.048   0.048     1.028   90.476   88.667
LGA    M    60_A      M    60_A     1.068     0    0.047   1.041     3.503   83.690   75.714
LGA    F    61_A      F    61_A     1.178     0    0.136   0.532     2.353   75.119   81.602
LGA    T    62_A      T    62_A     2.539     0    0.246   1.140     5.781   59.286   53.537
LGA    G    63_A      G    63_A     3.538     0    0.587   0.587     4.913   45.476   45.476
LGA    G    64_A      G    64_A     3.132     0    0.650   0.650     3.132   55.476   55.476
LGA    M    65_A      M    65_A     5.034     0    0.067   0.726    11.584   33.214   18.869
LGA    R    66_A      R    66_A     6.889     0    0.615   1.148    14.360   11.905    4.459
LGA    E    67_A      E    67_A     7.353     0    0.703   0.716    10.145   13.452    7.989
LGA    A    68_A      A    68_A     6.127     0    0.670   0.613     7.645   20.714   18.000
LGA    S    69_A      S    69_A     2.102     0    0.712   0.617     3.472   68.810   63.730
LGA    Q    70_A      Q    70_A     1.097     0    0.149   1.214     5.558   85.952   61.746
LGA    D    71_A      D    71_A     0.577     0    0.096   1.032     4.840   88.214   70.238
LGA    V    72_A      V    72_A     1.028     0    0.147   0.183     1.760   83.929   81.633
LGA    I    73_A      I    73_A     1.137     0    0.056   0.569     1.587   83.690   81.488
LGA    E    74_A      E    74_A     1.021     0    0.043   0.245     1.642   83.690   81.481
LGA    L    75_A      L    75_A     1.308     0    0.168   1.363     3.827   75.119   68.393
LGA    K    76_A      K    76_A     2.166     0    0.151   0.966     6.248   66.786   51.376
LGA    G    77_A      G    77_A     2.044     0    0.056   0.056     2.115   64.762   64.762
LGA    V    78_A      V    78_A     2.323     0    0.030   1.171     3.830   66.786   64.150
LGA    S    79_A      S    79_A     2.651     0    0.149   0.245     3.876   60.952   56.190
LGA    A    80_A      A    80_A     2.326     0    0.043   0.064     2.708   64.881   63.333
LGA    R    81_A      R    81_A     2.082     0    0.028   1.086     6.493   68.810   58.355
LGA    G    82_A      G    82_A     1.875     0    0.028   0.028     1.968   75.000   75.000
LGA    L    83_A      L    83_A     1.277     0    0.031   1.031     2.837   81.548   76.548
LGA    R    84_A      R    84_A     1.195     0    0.069   1.214     5.174   81.429   56.623
LGA    H    85_A      H    85_A     1.147     0    0.048   0.257     1.873   81.429   80.619
LGA    I    86_A      I    86_A     0.990     0    0.040   1.573     4.030   88.214   72.321
LGA    I    87_A      I    87_A     0.674     0    0.027   1.262     3.854   92.857   77.500
LGA    D    88_A      D    88_A     0.674     0    0.049   0.305     1.288   90.476   90.536
LGA    F    89_A      F    89_A     0.504     0    0.041   0.218     0.637   95.238   95.671
LGA    A    90_A      A    90_A     0.344     0    0.045   0.044     0.374  100.000  100.000
LGA    Y    91_A      Y    91_A     0.297     0    0.160   0.184     1.349   97.619   92.183
LGA    S    92_A      S    92_A     0.780     0    0.033   0.081     0.935   90.476   90.476
LGA    A    93_A      A    93_A     0.840     0    0.028   0.029     1.012   88.214   88.667
LGA    E    94_A      E    94_A     0.940     0    0.062   0.621     2.137   90.476   81.746
LGA    V    95_A      V    95_A     0.698     0    0.025   1.144     3.335   90.476   79.932
LGA    T    96_A      T    96_A     0.852     0    0.038   1.153     3.249   85.952   77.347
LGA    L    97_A      L    97_A     1.413     0    0.115   1.479     3.497   77.143   71.250
LGA    D    98_A      D    98_A     2.388     0    0.182   0.678     4.947   70.833   57.262
LGA    L    99_A      L    99_A     1.438     0    0.062   0.951     5.060   83.810   69.524
LGA    D   100_A      D   100_A     0.428     0    0.062   0.221     1.849   90.595   88.333
LGA    C   101_A      C   101_A     1.933     0    0.287   0.679     5.194   79.286   66.746
LGA    V   102_A      V   102_A     1.182     0    0.045   1.193     3.500   83.690   78.231
LGA    Q   103_A      Q   103_A     1.349     0    0.040   1.272     4.423   81.429   70.053
LGA    D   104_A      D   104_A     1.819     0    0.067   1.213     3.240   75.000   70.060
LGA    V   105_A      V   105_A     1.188     0    0.028   0.070     1.448   83.690   82.721
LGA    L   106_A      L   106_A     0.998     0    0.039   1.095     2.841   85.952   78.571
LGA    G   107_A      G   107_A     1.260     0    0.038   0.038     1.260   81.429   81.429
LGA    A   108_A      A   108_A     0.919     0    0.044   0.046     1.071   88.214   88.667
LGA    A   109_A      A   109_A     0.673     0    0.033   0.041     0.807   90.476   90.476
LGA    V   110_A      V   110_A     0.735     0    0.026   0.110     1.088   90.476   89.184
LGA    F   111_A      F   111_A     0.883     0    0.031   0.661     3.495   88.214   76.710
LGA    L   112_A      L   112_A     1.023     0    0.141   0.152     1.800   83.690   81.488
LGA    Q   113_A      Q   113_A     1.003     0    0.057   0.918     2.439   85.952   84.656
LGA    M   114_A      M   114_A     1.026     0    0.099   1.179     3.508   81.429   72.500
LGA    L   115_A      L   115_A     1.314     0    0.039   1.452     5.782   81.429   64.167
LGA    P   116_A      P   116_A     0.725     0    0.073   0.271     1.065   90.476   89.184
LGA    V   117_A      V   117_A     0.643     0    0.016   0.064     1.004   88.214   89.184
LGA    V   118_A      V   118_A     1.205     0    0.048   1.162     3.501   79.286   71.293
LGA    E   119_A      E   119_A     1.237     0    0.039   0.584     2.018   81.429   78.624
LGA    L   120_A      L   120_A     0.871     0    0.044   1.142     2.720   85.952   82.024
LGA    C   121_A      C   121_A     1.642     0    0.034   0.079     1.945   75.000   74.286
LGA    E   122_A      E   122_A     1.885     0    0.037   0.953     5.754   72.857   55.026
LGA    E   123_A      E   123_A     1.117     0    0.030   0.985     4.076   81.429   67.831
LGA    F   124_A      F   124_A     1.797     0    0.032   0.360     2.135   68.810   69.177
LGA    L   125_A      L   125_A     2.458     0    0.049   0.178     3.652   64.762   57.440
LGA    K   126_A      K   126_A     1.827     0    0.032   1.443     6.730   72.857   58.148
LGA    A   127_A      A   127_A     1.347     0    0.067   0.066     1.990   77.143   78.000
LGA    A   128_A      A   128_A     2.804     0    0.432   0.447     4.173   52.262   51.810

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      121     484    484  100.00     918    918  100.00               125
SUMMARY(RMSD_GDC):     1.991          1.952                  2.646           75.020   69.830

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  125    4.0    116    1.57    79.000    87.600     6.936

LGA_LOCAL      RMSD:   1.572  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.006  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   1.991  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.484259 * X  +  -0.866013 * Y  +  -0.124559 * Z  +  20.590240
  Y_new =  -0.865289 * X  +  -0.452977 * Y  +  -0.214678 * Z  +  21.741558
  Z_new =   0.129491 * X  +   0.211739 * Y  +  -0.968710 * Z  + -21.316015 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.060574 -0.129856  2.926399   [DEG:  -60.7664   -7.4402  167.6703 ]
ZXZ: -0.525742  2.890775  0.548878   [DEG:  -30.1228  165.6292   31.4484 ]
 
# END of job
