
#######################################################
#                                                     #
#                        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  130 (  978),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  949),  selected  125 , 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       9_A - 129_A       4.23     8.89
  LCS_AVERAGE:     94.18

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   117      13_A - 129_A       1.87     9.18
  LCS_AVERAGE:     88.01

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    50      15_A - 64_A        0.96     9.30
  LCS_AVERAGE:     32.02

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  125
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     L     5_A     L     5_A      3    7   18      0    3    3    3    3    5    8    9   10   10   10   13   14   15   16   18   20   20   21   21 
LCS_GDT     K     6_A     K     6_A      7    8   18      3    4    6    9    9   10   11   11   14   15   16   17   18   19   21   22   23   25   26   27 
LCS_GDT     C     7_A     C     7_A      7    8   19      3    6    7    9    9   10   11   11   14   15   16   17   18   20   21   22   23   25   26   27 
LCS_GDT     T     8_A     T     8_A      7    8   19      3    6    7    9    9   10   11   12   14   15   16   17   18   20   21   24   26   28   29   33 
LCS_GDT     F     9_A     F     9_A      7    8  121      3    6    7    9    9   10   11   12   14   15   16   17   18   21   22   33   36   40   44   47 
LCS_GDT     S    10_A     S    10_A      7    8  121      3    6    7    9    9   10   11   12   14   15   18   23   30   32   40   51   55   60   66   77 
LCS_GDT     A    11_A     A    11_A      7    8  121      3    6    7    9    9   10   11   12   14   15   18   26   37   44   54   65   74   88   97  102 
LCS_GDT     P    12_A     P    12_A      7    8  121      3    6    7    9    9   15   22   29   48   62   83  100  114  118  118  118  118  118  118  118 
LCS_GDT     S    13_A     S    13_A      7  117  121      4    6    7    9    9   10   34   41   63   74  113  117  117  118  118  118  118  118  118  118 
LCS_GDT     H    14_A     H    14_A      4  117  121      4    5   23   40   71  104  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     S    15_A     S    15_A     50  117  121     31   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     T    16_A     T    16_A     50  117  121     29   70   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     S    17_A     S    17_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    18_A     L    18_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    19_A     L    19_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     Q    20_A     Q    20_A     50  117  121     31   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     G    21_A     G    21_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    22_A     L    22_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     A    23_A     A    23_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     T    24_A     T    24_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    25_A     L    25_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     R    26_A     R    26_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     A    27_A     A    27_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     Q    28_A     Q    28_A     50  117  121     32   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     G    29_A     G    29_A     50  117  121     22   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     Q    30_A     Q    30_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    31_A     L    31_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    32_A     L    32_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     D    33_A     D    33_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     V    34_A     V    34_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     V    35_A     V    35_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    36_A     L    36_A     50  117  121     24   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     T    37_A     T    37_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     I    38_A     I    38_A     50  117  121      5   31   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     N    39_A     N    39_A     50  117  121      5   23   81  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     R    40_A     R    40_A     50  117  121      4   23   86  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     E    41_A     E    41_A     50  117  121     20   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     A    42_A     A    42_A     50  117  121     30   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     F    43_A     F    43_A     50  117  121      9   70   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     P    44_A     P    44_A     50  117  121     24   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     A    45_A     A    45_A     50  117  121     32   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     H    46_A     H    46_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     K    47_A     K    47_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     V    48_A     V    48_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     V    49_A     V    49_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    50_A     L    50_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     A    51_A     A    51_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     A    52_A     A    52_A     50  117  121     25   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     C    53_A     C    53_A     50  117  121      4   45   87  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     S    54_A     S    54_A     50  117  121     31   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     D    55_A     D    55_A     50  117  121     22   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     Y    56_A     Y    56_A     50  117  121     24   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     F    57_A     F    57_A     50  117  121     30   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     R    58_A     R    58_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     A    59_A     A    59_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     M    60_A     M    60_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     F    61_A     F    61_A     50  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     T    62_A     T    62_A     50  117  121      3   68   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     G    63_A     G    63_A     50  117  121      9   60   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     G    64_A     G    64_A     50  117  121      3    8   62   97  104  107  109  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     M    65_A     M    65_A      6  117  121      3    9   15   44   60  103  108  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     R    66_A     R    66_A      5  117  121      4   26   28   64  100  106  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     E    67_A     E    67_A      5  117  121      4    5    5    5   19   48   99  101  111  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     A    68_A     A    68_A      5  117  121      4    5    6   16   41   79   95  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     S    69_A     S    69_A      5  117  121      4    5   55   91  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     Q    70_A     Q    70_A      3  117  121      3    3    3   45   96  106  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     D    71_A     D    71_A      5  117  121      4    5    5   88  101  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     V    72_A     V    72_A      5  117  121      4    6   15   40   73   98  110  112  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     I    73_A     I    73_A      5  117  121      4    5   39   94  102  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     E    74_A     E    74_A      5  117  121      4    5   13   15   25   94  110  112  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    75_A     L    75_A     23  117  121      4    5   12   50   98  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     K    76_A     K    76_A     39  117  121      4    6   17   88  100  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     G    77_A     G    77_A     43  117  121     15   52   79  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     V    78_A     V    78_A     45  117  121     19   62   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     S    79_A     S    79_A     45  117  121     19   63   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     A    80_A     A    80_A     45  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     R    81_A     R    81_A     45  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     G    82_A     G    82_A     45  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    83_A     L    83_A     45  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     R    84_A     R    84_A     45  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     H    85_A     H    85_A     45  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     I    86_A     I    86_A     45  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     I    87_A     I    87_A     45  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     D    88_A     D    88_A     45  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     F    89_A     F    89_A     45  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     A    90_A     A    90_A     45  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     Y    91_A     Y    91_A     45  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     S    92_A     S    92_A     45  117  121     32   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     A    93_A     A    93_A     45  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     E    94_A     E    94_A     45  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     V    95_A     V    95_A     45  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     T    96_A     T    96_A     45  117  121     24   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    97_A     L    97_A     45  117  121     23   69   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     D    98_A     D    98_A     45  117  121      3   66   85   99  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    99_A     L    99_A     45  117  121     24   70   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     D   100_A     D   100_A     45  117  121     19   61   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     C   101_A     C   101_A     45  117  121     22   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     V   102_A     V   102_A     45  117  121     22   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     Q   103_A     Q   103_A     45  117  121     19   70   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     D   104_A     D   104_A     45  117  121     19   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     V   105_A     V   105_A     45  117  121     25   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     L   106_A     L   106_A     45  117  121     25   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     G   107_A     G   107_A     45  117  121     30   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     A   108_A     A   108_A     45  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     A   109_A     A   109_A     45  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     V   110_A     V   110_A     45  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     F   111_A     F   111_A     45  117  121     33   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     L   112_A     L   112_A     45  117  121     30   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     Q   113_A     Q   113_A     45  117  121     17   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     M   114_A     M   114_A     45  117  121     10   33   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     L   115_A     L   115_A     45  117  121     10   28   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     P   116_A     P   116_A     45  117  121     16   41   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     V   117_A     V   117_A     45  117  121     16   64   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     V   118_A     V   118_A     45  117  121     23   71   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     E   119_A     E   119_A     45  117  121     16   59   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     L   120_A     L   120_A     45  117  121     16   52   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     C   121_A     C   121_A     45  117  121     19   68   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     E   122_A     E   122_A     45  117  121     16   59   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     E   123_A     E   123_A     44  117  121     13   41   85  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     F   124_A     F   124_A     42  117  121     13   49   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     L   125_A     L   125_A     35  117  121     16   54   88  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     K   126_A     K   126_A     35  117  121     13   38   86  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     A   127_A     A   127_A     35  117  121     10   40   86  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     A   128_A     A   128_A     35  117  121      9   39   77   99  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_GDT     M   129_A     M   129_A     35  117  121     10   46   84  100  104  107  110  113  115  116  116  117  117  118  118  118  118  118  118  118 
LCS_AVERAGE  LCS_A:  71.40  (  32.02   88.01   94.18 )

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     33     71     88    100    104    107    110    113    115    116    116    117    117    118    118    118    118    118    118    118 
GDT PERCENT_AT  26.40  56.80  70.40  80.00  83.20  85.60  88.00  90.40  92.00  92.80  92.80  93.60  93.60  94.40  94.40  94.40  94.40  94.40  94.40  94.40
GDT RMS_LOCAL    0.37   0.63   0.85   1.07   1.17   1.27   1.46   1.57   1.66   1.74   1.74   1.87   1.87   2.11   2.11   2.11   2.11   2.11   2.11   2.11
GDT RMS_ALL_AT   9.28   9.29   9.29   9.24   9.23   9.24   9.22   9.21   9.21   9.20   9.20   9.18   9.18   9.14   9.14   9.14   9.14   9.14   9.14   9.14

# Checking swapping
#   possible swapping detected:  F     9_A      F     9_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  D    71_A      D    71_A
#   possible swapping detected:  D    98_A      D    98_A
#   possible swapping detected:  D   100_A      D   100_A
#   possible swapping detected:  F   111_A      F   111_A
#   possible swapping detected:  F   124_A      F   124_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     5_A      L     5_A    51.208     0    0.366   1.488    51.844    0.000    0.000
LGA    K     6_A      K     6_A    50.044     0    0.591   1.141    54.758    0.000    0.000
LGA    C     7_A      C     7_A    43.220     0    0.044   0.700    45.537    0.000    0.000
LGA    T     8_A      T     8_A    36.104     0    0.080   1.142    38.569    0.000    0.000
LGA    F     9_A      F     9_A    30.334     0    0.107   1.331    32.366    0.000    0.000
LGA    S    10_A      S    10_A    23.134     0    0.027   0.086    25.645    0.000    0.000
LGA    A    11_A      A    11_A    17.776     0    0.117   0.128    19.405    0.000    0.000
LGA    P    12_A      P    12_A    11.026     0    0.681   0.603    15.175    1.548    0.884
LGA    S    13_A      S    13_A     7.485     0    0.718   0.857     9.893   15.119   10.397
LGA    H    14_A      H    14_A     4.874     0    0.058   0.292     8.721   39.405   25.143
LGA    S    15_A      S    15_A     0.757     0    0.298   0.612     3.060   86.071   77.857
LGA    T    16_A      T    16_A     1.186     0    0.035   0.090     1.992   81.429   77.755
LGA    S    17_A      S    17_A     0.676     0    0.071   0.700     2.832   90.476   84.921
LGA    L    18_A      L    18_A     0.679     0    0.030   1.000     4.141   90.476   78.393
LGA    L    19_A      L    19_A     0.961     0    0.037   0.124     1.356   85.952   84.821
LGA    Q    20_A      Q    20_A     1.140     0    0.036   0.501     2.169   81.429   77.672
LGA    G    21_A      G    21_A     1.006     0    0.033   0.033     1.064   81.429   81.429
LGA    L    22_A      L    22_A     0.979     0    0.042   0.140     1.195   85.952   88.214
LGA    A    23_A      A    23_A     1.258     0    0.029   0.039     1.402   81.429   81.429
LGA    T    24_A      T    24_A     1.327     0    0.080   1.109     3.873   81.429   74.762
LGA    L    25_A      L    25_A     1.224     0    0.034   0.303     1.647   81.429   81.488
LGA    R    26_A      R    26_A     1.071     0    0.031   1.164     4.275   81.429   77.662
LGA    A    27_A      A    27_A     1.487     0    0.078   0.078     2.023   75.119   74.667
LGA    Q    28_A      Q    28_A     1.726     0    0.175   0.770     2.680   72.857   71.164
LGA    G    29_A      G    29_A     1.639     0    0.073   0.073     1.706   72.857   72.857
LGA    Q    30_A      Q    30_A     1.442     0    0.052   0.590     3.554   81.429   68.148
LGA    L    31_A      L    31_A     1.098     0    0.031   0.134     1.289   85.952   84.821
LGA    L    32_A      L    32_A     0.754     0    0.052   0.250     1.311   90.476   89.345
LGA    D    33_A      D    33_A     0.706     0    0.059   0.155     0.878   90.476   90.476
LGA    V    34_A      V    34_A     0.690     0    0.027   0.132     1.010   90.476   89.184
LGA    V    35_A      V    35_A     0.748     0    0.052   0.076     1.276   88.214   86.599
LGA    L    36_A      L    36_A     0.611     0    0.069   0.879     2.647   95.238   87.560
LGA    T    37_A      T    37_A     0.768     0    0.096   0.140     1.334   90.476   86.599
LGA    I    38_A      I    38_A     1.609     0    0.021   1.360     3.769   75.000   71.310
LGA    N    39_A      N    39_A     2.033     0    0.626   0.984     3.238   65.119   67.083
LGA    R    40_A      R    40_A     2.240     0    0.189   1.585     5.247   73.095   54.372
LGA    E    41_A      E    41_A     0.792     0    0.109   1.064     3.831   92.976   78.624
LGA    A    42_A      A    42_A     0.744     0    0.071   0.074     1.348   90.476   88.667
LGA    F    43_A      F    43_A     1.082     0    0.154   0.196     2.605   88.214   75.541
LGA    P    44_A      P    44_A     0.997     0    0.032   0.362     2.298   83.690   79.116
LGA    A    45_A      A    45_A     0.755     0    0.022   0.040     0.870   90.476   90.476
LGA    H    46_A      H    46_A     0.537     0    0.078   0.096     1.126   95.238   90.571
LGA    K    47_A      K    47_A     0.601     0    0.033   0.201     2.159   95.238   85.767
LGA    V    48_A      V    48_A     0.465     0    0.064   1.038     2.461  100.000   89.728
LGA    V    49_A      V    49_A     0.165     0    0.031   0.076     0.401  100.000  100.000
LGA    L    50_A      L    50_A     0.364     0    0.035   0.057     1.498  100.000   91.845
LGA    A    51_A      A    51_A     0.366     0    0.081   0.077     1.012   92.976   92.476
LGA    A    52_A      A    52_A     0.875     0    0.155   0.160     1.378   88.214   86.857
LGA    C    53_A      C    53_A     1.505     0    0.216   0.753     2.215   83.810   80.238
LGA    S    54_A      S    54_A     0.726     0    0.097   0.476     1.464   92.857   90.556
LGA    D    55_A      D    55_A     0.837     0    0.041   0.200     2.095   90.476   80.714
LGA    Y    56_A      Y    56_A     0.432     0    0.027   0.150     1.488   97.619   91.389
LGA    F    57_A      F    57_A     0.317     0    0.035   0.283     1.122  100.000   93.983
LGA    R    58_A      R    58_A     0.291     0    0.031   1.220     6.139   97.619   71.515
LGA    A    59_A      A    59_A     0.426     0    0.040   0.042     0.624   97.619   98.095
LGA    M    60_A      M    60_A     0.589     0    0.038   1.038     2.494   90.595   81.905
LGA    F    61_A      F    61_A     1.007     0    0.098   0.252     1.815   81.548   78.355
LGA    T    62_A      T    62_A     1.627     0    0.157   1.146     4.872   79.286   70.884
LGA    G    63_A      G    63_A     1.236     0    0.212   0.212     1.236   88.214   88.214
LGA    G    64_A      G    64_A     2.809     0    0.275   0.275     4.988   51.190   51.190
LGA    M    65_A      M    65_A     4.187     0    0.587   1.256    11.548   50.357   30.774
LGA    R    66_A      R    66_A     3.675     0    0.035   1.207    11.373   45.000   20.693
LGA    E    67_A      E    67_A     6.041     0    0.106   1.343    13.984   26.548   12.328
LGA    A    68_A      A    68_A     4.628     0    0.060   0.059     5.920   40.476   36.667
LGA    S    69_A      S    69_A     2.563     0    0.603   0.826     5.156   55.595   47.619
LGA    Q    70_A      Q    70_A     3.471     0    0.616   1.024    10.033   57.262   30.741
LGA    D    71_A      D    71_A     3.289     0    0.662   1.336     8.213   51.071   32.738
LGA    V    72_A      V    72_A     4.539     0    0.084   1.107     9.393   37.381   25.374
LGA    I    73_A      I    73_A     3.262     0    0.029   1.093     9.657   43.690   31.726
LGA    E    74_A      E    74_A     4.417     0    0.152   1.022    10.982   45.119   23.651
LGA    L    75_A      L    75_A     3.752     0    0.248   0.297     8.760   54.167   32.619
LGA    K    76_A      K    76_A     3.192     0    0.634   1.068     5.802   41.190   38.995
LGA    G    77_A      G    77_A     2.304     0    0.107   0.107     2.550   62.857   62.857
LGA    V    78_A      V    78_A     1.433     0    0.000   0.090     1.519   79.286   80.204
LGA    S    79_A      S    79_A     1.385     0    0.062   0.722     1.802   83.690   80.079
LGA    A    80_A      A    80_A     0.877     0    0.036   0.056     1.168   88.214   86.857
LGA    R    81_A      R    81_A     1.104     0    0.033   2.016     9.379   81.429   54.459
LGA    G    82_A      G    82_A     1.004     0    0.031   0.031     1.047   85.952   85.952
LGA    L    83_A      L    83_A     0.495     0    0.035   0.082     0.707   97.619   97.619
LGA    R    84_A      R    84_A     0.539     0    0.049   1.426     8.919   92.857   58.182
LGA    H    85_A      H    85_A     0.906     0    0.056   0.709     2.106   88.214   83.429
LGA    I    86_A      I    86_A     0.923     0    0.041   0.144     1.130   90.476   87.083
LGA    I    87_A      I    87_A     0.504     0    0.032   0.587     1.469   95.238   91.786
LGA    D    88_A      D    88_A     0.611     0    0.044   0.458     1.339   90.476   89.345
LGA    F    89_A      F    89_A     0.745     0    0.053   0.107     1.318   90.476   87.186
LGA    A    90_A      A    90_A     0.482     0    0.046   0.043     0.582   97.619   98.095
LGA    Y    91_A      Y    91_A     0.529     0    0.172   0.188     0.613   90.476   96.032
LGA    S    92_A      S    92_A     1.254     0    0.027   0.066     1.316   81.429   81.429
LGA    A    93_A      A    93_A     1.346     0    0.034   0.042     1.652   79.286   78.000
LGA    E    94_A      E    94_A     1.183     0    0.058   0.645     2.187   81.429   79.577
LGA    V    95_A      V    95_A     0.723     0    0.044   1.187     2.928   90.476   80.952
LGA    T    96_A      T    96_A     1.083     0    0.056   1.134     3.187   83.690   74.762
LGA    L    97_A      L    97_A     1.387     0    0.041   0.160     1.514   79.286   81.488
LGA    D    98_A      D    98_A     2.072     0    0.064   1.096     2.488   75.119   73.036
LGA    L    99_A      L    99_A     1.710     0    0.090   0.873     2.044   72.976   74.107
LGA    D   100_A      D   100_A     1.117     0    0.000   0.701     4.016   81.548   71.786
LGA    C   101_A      C   101_A     0.675     0    0.027   0.109     0.781   90.476   90.476
LGA    V   102_A      V   102_A     0.703     0    0.034   1.222     2.818   90.476   82.041
LGA    Q   103_A      Q   103_A     1.029     0    0.029   0.894     2.651   83.690   75.079
LGA    D   104_A      D   104_A     0.880     0    0.030   0.492     2.538   90.476   85.179
LGA    V   105_A      V   105_A     0.436     0    0.020   0.075     0.589   97.619   95.918
LGA    L   106_A      L   106_A     0.600     0    0.038   1.145     2.735   92.857   83.155
LGA    G   107_A      G   107_A     0.665     0    0.019   0.019     0.676   90.476   90.476
LGA    A   108_A      A   108_A     0.461     0    0.072   0.069     0.663   97.619   96.190
LGA    A   109_A      A   109_A     0.407     0    0.032   0.042     0.488  100.000  100.000
LGA    V   110_A      V   110_A     0.463     0    0.040   0.889     2.283  100.000   89.728
LGA    F   111_A      F   111_A     0.655     0    0.040   0.433     1.990   90.476   83.203
LGA    L   112_A      L   112_A     1.051     0    0.114   0.899     4.014   85.952   75.000
LGA    Q   113_A      Q   113_A     0.869     0    0.095   0.626     1.688   85.952   81.534
LGA    M   114_A      M   114_A     1.702     0    0.081   1.096     3.476   77.143   72.143
LGA    L   115_A      L   115_A     1.679     0    0.025   1.023     3.761   75.000   67.262
LGA    P   116_A      P   116_A     1.513     0    0.056   0.150     2.264   77.143   72.993
LGA    V   117_A      V   117_A     1.188     0    0.025   0.107     1.490   85.952   84.014
LGA    V   118_A      V   118_A     0.512     0    0.038   0.080     0.868   90.476   94.558
LGA    E   119_A      E   119_A     0.994     0    0.051   0.168     1.153   85.952   87.460
LGA    L   120_A      L   120_A     1.260     0    0.067   1.144     4.405   79.286   67.857
LGA    C   121_A      C   121_A     0.732     0    0.034   0.064     0.948   90.476   90.476
LGA    E   122_A      E   122_A     0.873     0    0.048   1.005     4.481   85.952   75.132
LGA    E   123_A      E   123_A     1.693     0    0.039   0.915     5.978   72.976   55.979
LGA    F   124_A      F   124_A     1.464     0    0.025   1.396     6.573   79.286   57.532
LGA    L   125_A      L   125_A     1.226     0    0.027   1.109     2.488   81.429   77.262
LGA    K   126_A      K   126_A     1.881     0    0.040   1.202     5.507   70.833   56.455
LGA    A   127_A      A   127_A     1.911     0    0.047   0.060     1.964   72.857   72.857
LGA    A   128_A      A   128_A     2.211     0    0.063   0.061     2.530   64.762   63.238
LGA    M   129_A      M   129_A     1.845     0    0.232   1.010     7.791   56.548   44.048

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     949    949  100.00               125
SUMMARY(RMSD_GDC):     8.606          8.456                  9.008           75.282   69.514

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    113    1.57    80.400    84.880     6.771

LGA_LOCAL      RMSD:   1.569  Number of atoms:  113  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   9.209  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   8.606  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.393035 * X  +   0.919415 * Y  +   0.014134 * Z  + -16.689877
  Y_new =   0.857334 * X  +  -0.371966 * Y  +   0.355836 * Z  + -47.511333
  Z_new =   0.332419 * X  +  -0.127738 * Y  +  -0.934441 * Z  + 125.646698 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.140947 -0.338867 -3.005735   [DEG:   65.3715  -19.4157 -172.2159 ]
ZXZ:  3.101892  2.777483  1.937668   [DEG:  177.7253  159.1381  111.0202 ]
 
# END of job
