
#######################################################
#                                                     #
#                        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:   122       8_A - 129_A       4.87     8.63
  LCS_AVERAGE:     95.62

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      12_A - 129_A       1.72     8.99
  LCS_AVERAGE:     89.52

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    67      32_A - 98_A        0.99     9.28
  LCS_AVERAGE:     45.96

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      6    9   19      4    6    7    9   10   10   11   13   13   15   18   18   19   20   21   22   24   26   26   27 
LCS_GDT     K     6_A     K     6_A      6    9   19      4    6    7    9   10   10   11   13   14   16   18   18   19   20   21   23   24   26   26   27 
LCS_GDT     C     7_A     C     7_A      6    9   19      4    6    7    9   10   10   11   13   14   16   18   18   19   20   22   23   24   30   32   33 
LCS_GDT     T     8_A     T     8_A      6    9  122      4    6    7    9   10   10   11   13   14   16   18   18   19   21   22   25   29   33   34   37 
LCS_GDT     F     9_A     F     9_A      6    9  122      4    6    7    9   10   10   11   13   14   16   18   18   19   24   31   33   35   40   44   51 
LCS_GDT     S    10_A     S    10_A      6    9  122      4    6    7    9   10   10   11   13   14   18   22   27   39   42   53   57   63   71   80   88 
LCS_GDT     A    11_A     A    11_A      6    9  122      4    5    7    9   10   10   11   13   18   23   38   48   57   73   83   91  101  109  115  119 
LCS_GDT     P    12_A     P    12_A      6  118  122      4    5    7    9   22   27   44   62   77   89  103  117  118  118  118  118  118  118  118  119 
LCS_GDT     S    13_A     S    13_A     18  118  122      4    8   34   52   73   92  115  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     H    14_A     H    14_A     33  118  122      4   20   46   71   98  113  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     S    15_A     S    15_A     39  118  122      9   27   64   93  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     T    16_A     T    16_A     57  118  122      6   29   66  105  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     S    17_A     S    17_A     59  118  122     17   65   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     L    18_A     L    18_A     59  118  122     17   65   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     L    19_A     L    19_A     59  118  122      9   43   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     Q    20_A     Q    20_A     59  118  122     14   46   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     G    21_A     G    21_A     59  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     L    22_A     L    22_A     59  118  122     24   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     A    23_A     A    23_A     59  118  122     24   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     T    24_A     T    24_A     59  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     L    25_A     L    25_A     59  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     R    26_A     R    26_A     59  118  122     29   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     A    27_A     A    27_A     59  118  122     21   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     Q    28_A     Q    28_A     59  118  122     23   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     G    29_A     G    29_A     59  118  122     15   49   96  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     Q    30_A     Q    30_A     59  118  122     13   51   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     L    31_A     L    31_A     59  118  122      4    8   33   92  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     L    32_A     L    32_A     67  118  122     20   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     D    33_A     D    33_A     67  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     V    34_A     V    34_A     67  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     V    35_A     V    35_A     67  118  122     24   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     L    36_A     L    36_A     67  118  122     22   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     T    37_A     T    37_A     67  118  122     23   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     I    38_A     I    38_A     67  118  122     13   63   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     N    39_A     N    39_A     67  118  122     13   73   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     R    40_A     R    40_A     67  118  122     23   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     E    41_A     E    41_A     67  118  122     27   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     A    42_A     A    42_A     67  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     F    43_A     F    43_A     67  118  122     27   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     P    44_A     P    44_A     67  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     A    45_A     A    45_A     67  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     H    46_A     H    46_A     67  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     K    47_A     K    47_A     67  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     V    48_A     V    48_A     67  118  122     24   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     V    49_A     V    49_A     67  118  122     24   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     L    50_A     L    50_A     67  118  122     23   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     A    51_A     A    51_A     67  118  122     29   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     A    52_A     A    52_A     67  118  122     24   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     C    53_A     C    53_A     67  118  122     21   51   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     S    54_A     S    54_A     67  118  122     21   72   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     D    55_A     D    55_A     67  118  122     21   73   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     Y    56_A     Y    56_A     67  118  122     21   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     F    57_A     F    57_A     67  118  122     27   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     R    58_A     R    58_A     67  118  122     29   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     A    59_A     A    59_A     67  118  122     29   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     M    60_A     M    60_A     67  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     F    61_A     F    61_A     67  118  122     21   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     T    62_A     T    62_A     67  118  122     14   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     G    63_A     G    63_A     67  118  122     14   75   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     G    64_A     G    64_A     67  118  122     19   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     M    65_A     M    65_A     67  118  122      9   62   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     R    66_A     R    66_A     67  118  122      3   27   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     E    67_A     E    67_A     67  118  122      3   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     A    68_A     A    68_A     67  118  122      8   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     S    69_A     S    69_A     67  118  122      6   65   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     Q    70_A     Q    70_A     67  118  122     24   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     D    71_A     D    71_A     67  118  122     23   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     V    72_A     V    72_A     67  118  122     14   49   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     I    73_A     I    73_A     67  118  122     13   40   96  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     E    74_A     E    74_A     67  118  122     13   44   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     L    75_A     L    75_A     67  118  122     13   41   96  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     K    76_A     K    76_A     67  118  122      5   34   67  105  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     G    77_A     G    77_A     67  118  122      5   22   50   90  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     V    78_A     V    78_A     67  118  122      3   34   54  100  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     S    79_A     S    79_A     67  118  122     12   33   67  100  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     A    80_A     A    80_A     67  118  122     15   44   84  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     R    81_A     R    81_A     67  118  122     15   54   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     G    82_A     G    82_A     67  118  122     24   66   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     L    83_A     L    83_A     67  118  122     24   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     R    84_A     R    84_A     67  118  122     24   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     H    85_A     H    85_A     67  118  122     24   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     I    86_A     I    86_A     67  118  122     24   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     I    87_A     I    87_A     67  118  122     24   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     D    88_A     D    88_A     67  118  122     27   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     F    89_A     F    89_A     67  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     A    90_A     A    90_A     67  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     Y    91_A     Y    91_A     67  118  122     15   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     S    92_A     S    92_A     67  118  122     18   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     A    93_A     A    93_A     67  118  122     15   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     E    94_A     E    94_A     67  118  122     23   75   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     V    95_A     V    95_A     67  118  122     23   76   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     T    96_A     T    96_A     67  118  122     25   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     L    97_A     L    97_A     67  118  122     22   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     D    98_A     D    98_A     67  118  122      4   27   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     L    99_A     L    99_A     52  118  122      4   76   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     D   100_A     D   100_A     52  118  122     15   74   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     C   101_A     C   101_A     52  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     V   102_A     V   102_A     52  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     Q   103_A     Q   103_A     52  118  122     29   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     D   104_A     D   104_A     52  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     V   105_A     V   105_A     52  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     L   106_A     L   106_A     52  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     G   107_A     G   107_A     52  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     A   108_A     A   108_A     52  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     A   109_A     A   109_A     52  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     V   110_A     V   110_A     52  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     F   111_A     F   111_A     52  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     L   112_A     L   112_A     52  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     Q   113_A     Q   113_A     52  118  122     14   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     M   114_A     M   114_A     52  118  122     14   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     L   115_A     L   115_A     52  118  122     17   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     P   116_A     P   116_A     52  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     V   117_A     V   117_A     52  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     V   118_A     V   118_A     52  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     E   119_A     E   119_A     52  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     L   120_A     L   120_A     52  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     C   121_A     C   121_A     52  118  122     23   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     E   122_A     E   122_A     52  118  122     27   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     E   123_A     E   123_A     52  118  122     27   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     F   124_A     F   124_A     52  118  122     30   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     L   125_A     L   125_A     52  118  122     10   77   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     K   126_A     K   126_A     52  118  122     10   22   96  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     A   127_A     A   127_A     52  118  122     10   69   97  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     A   128_A     A   128_A     52  118  122     20   71   98  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_GDT     M   129_A     M   129_A     52  118  122      4   14   87  107  112  115  116  117  117  117  117  117  118  118  118  118  118  118  118  119 
LCS_AVERAGE  LCS_A:  77.03  (  45.96   89.52   95.62 )

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     30     77     98    107    112    115    116    117    117    117    117    117    118    118    118    118    118    118    118    119 
GDT PERCENT_AT  24.00  61.60  78.40  85.60  89.60  92.00  92.80  93.60  93.60  93.60  93.60  93.60  94.40  94.40  94.40  94.40  94.40  94.40  94.40  95.20
GDT RMS_LOCAL    0.36   0.67   0.87   0.98   1.12   1.21   1.28   1.38   1.38   1.38   1.38   1.38   1.72   1.72   1.72   1.72   1.72   1.72   1.72   2.22
GDT RMS_ALL_AT   9.21   9.21   9.17   9.16   9.17   9.12   9.09   9.06   9.06   9.06   9.06   9.06   8.99   8.99   8.99   8.99   8.99   8.99   8.99   8.93

# Checking swapping
#   possible swapping detected:  F    57_A      F    57_A
#   possible swapping detected:  F    61_A      F    61_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  D    98_A      D    98_A
#   possible swapping detected:  F   111_A      F   111_A
#   possible swapping detected:  E   123_A      E   123_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     5_A      L     5_A    54.567     0    0.176   0.253    56.803    0.000    0.000
LGA    K     6_A      K     6_A    48.836     0    0.036   0.954    51.044    0.000    0.000
LGA    C     7_A      C     7_A    41.687     0    0.049   0.177    44.190    0.000    0.000
LGA    T     8_A      T     8_A    34.877     0    0.018   0.033    37.322    0.000    0.000
LGA    F     9_A      F     9_A    29.226     0    0.033   0.095    37.825    0.000    0.000
LGA    S    10_A      S    10_A    21.924     0    0.070   0.080    24.432    0.000    0.000
LGA    A    11_A      A    11_A    15.775     0    0.142   0.153    17.858    0.000    0.000
LGA    P    12_A      P    12_A    11.449     0    0.073   0.300    14.399    1.905    1.088
LGA    S    13_A      S    13_A     5.764     0    0.660   0.554     7.966   20.238   18.254
LGA    H    14_A      H    14_A     4.433     0    0.055   1.280    11.217   42.619   20.810
LGA    S    15_A      S    15_A     3.207     0    0.050   0.649     3.852   53.810   53.889
LGA    T    16_A      T    16_A     2.685     0    0.031   0.034     3.688   62.976   58.503
LGA    S    17_A      S    17_A     1.146     0    0.045   0.048     1.705   83.810   83.016
LGA    L    18_A      L    18_A     1.082     0    0.027   1.383     4.415   85.952   70.119
LGA    L    19_A      L    19_A     1.449     0    0.045   1.383     2.829   81.429   76.369
LGA    Q    20_A      Q    20_A     1.323     0    0.019   0.706     2.046   81.429   80.582
LGA    G    21_A      G    21_A     0.463     0    0.084   0.084     0.769   97.619   97.619
LGA    L    22_A      L    22_A     0.384     0    0.038   1.440     3.553  100.000   81.071
LGA    A    23_A      A    23_A     0.603     0    0.013   0.018     0.755   90.476   90.476
LGA    T    24_A      T    24_A     0.656     0    0.096   1.141     3.237   90.476   81.020
LGA    L    25_A      L    25_A     0.499     0    0.083   0.178     1.166   92.976   91.726
LGA    R    26_A      R    26_A     0.708     0    0.064   0.425     2.382   85.952   82.424
LGA    A    27_A      A    27_A     1.245     0    0.031   0.040     1.667   81.548   81.524
LGA    Q    28_A      Q    28_A     1.241     0    0.023   0.867     3.162   81.429   76.984
LGA    G    29_A      G    29_A     1.814     0    0.015   0.015     2.013   70.833   70.833
LGA    Q    30_A      Q    30_A     1.568     0    0.647   0.575     3.193   67.143   76.085
LGA    L    31_A      L    31_A     2.362     0    0.051   0.166     4.517   66.786   54.524
LGA    L    32_A      L    32_A     0.650     0    0.021   0.250     1.096   88.214   87.083
LGA    D    33_A      D    33_A     0.086     0    0.026   0.075     0.391  100.000  100.000
LGA    V    34_A      V    34_A     0.243     0    0.010   0.083     0.677  100.000   98.639
LGA    V    35_A      V    35_A     0.361     0    0.053   0.071     0.798   95.238   97.279
LGA    L    36_A      L    36_A     0.777     0    0.026   0.141     1.053   92.857   88.274
LGA    T    37_A      T    37_A     0.745     0    0.077   1.148     2.657   85.952   79.456
LGA    I    38_A      I    38_A     1.513     0    0.069   0.591     2.226   79.286   78.452
LGA    N    39_A      N    39_A     1.447     0    0.017   0.097     2.158   81.429   75.119
LGA    R    40_A      R    40_A     0.787     0    0.055   0.930     3.511   90.595   75.325
LGA    E    41_A      E    41_A     0.639     0    0.028   0.066     1.950   90.476   82.593
LGA    A    42_A      A    42_A     0.272     0    0.010   0.019     0.753   97.619   98.095
LGA    F    43_A      F    43_A     0.691     0    0.077   0.109     1.599   92.857   86.450
LGA    P    44_A      P    44_A     0.569     0    0.036   0.369     1.776   90.476   86.667
LGA    A    45_A      A    45_A     0.481     0    0.050   0.064     0.790  100.000   98.095
LGA    H    46_A      H    46_A     0.227     0    0.012   1.027     5.203  100.000   71.714
LGA    K    47_A      K    47_A     0.411     0    0.018   0.087     1.576   97.619   90.688
LGA    V    48_A      V    48_A     0.140     0    0.059   0.954     1.973  100.000   90.884
LGA    V    49_A      V    49_A     0.554     0    0.023   0.062     0.912   92.857   91.837
LGA    L    50_A      L    50_A     0.795     0    0.034   0.117     1.742   90.476   84.940
LGA    A    51_A      A    51_A     0.447     0    0.077   0.081     0.842   92.857   94.286
LGA    A    52_A      A    52_A     0.673     0    0.133   0.144     1.346   88.214   88.667
LGA    C    53_A      C    53_A     1.199     0    0.110   0.123     1.999   83.690   80.079
LGA    S    54_A      S    54_A     1.180     0    0.079   0.088     1.328   81.429   81.429
LGA    D    55_A      D    55_A     1.094     0    0.038   0.772     4.214   83.690   70.952
LGA    Y    56_A      Y    56_A     1.107     0    0.027   0.096     1.995   85.952   78.651
LGA    F    57_A      F    57_A     0.855     0    0.044   0.089     1.705   90.476   83.203
LGA    R    58_A      R    58_A     0.443     0    0.038   1.418     7.213   97.619   67.749
LGA    A    59_A      A    59_A     0.479     0    0.043   0.044     0.609   95.238   94.286
LGA    M    60_A      M    60_A     0.709     0    0.070   0.879     3.919   90.476   77.321
LGA    F    61_A      F    61_A     0.791     0    0.014   0.181     1.443   88.214   87.186
LGA    T    62_A      T    62_A     1.007     0    0.186   1.177     3.595   88.214   81.156
LGA    G    63_A      G    63_A     1.115     0    0.056   0.056     1.636   79.286   79.286
LGA    G    64_A      G    64_A     1.007     0    0.200   0.200     2.195   77.262   77.262
LGA    M    65_A      M    65_A     1.525     0    0.651   1.272     4.084   66.310   70.833
LGA    R    66_A      R    66_A     1.706     0    0.148   1.433    12.748   70.833   35.281
LGA    E    67_A      E    67_A     1.089     0    0.113   0.998     2.779   85.952   79.894
LGA    A    68_A      A    68_A     1.082     0    0.668   0.612     3.528   74.167   75.619
LGA    S    69_A      S    69_A     1.009     0    0.064   0.586     4.062   90.595   78.730
LGA    Q    70_A      Q    70_A     0.456     0    0.103   0.958     3.887  100.000   79.524
LGA    D    71_A      D    71_A     0.982     0    0.046   0.443     3.092   90.476   76.786
LGA    V    72_A      V    72_A     1.444     0    0.051   0.101     2.137   77.143   74.150
LGA    I    73_A      I    73_A     1.767     0    0.006   0.056     2.132   75.000   71.905
LGA    E    74_A      E    74_A     1.638     0    0.014   0.083     2.005   70.833   71.958
LGA    L    75_A      L    75_A     1.876     0    0.060   0.913     3.783   68.810   69.345
LGA    K    76_A      K    76_A     2.763     0    0.626   0.489     4.290   52.143   54.921
LGA    G    77_A      G    77_A     3.017     0    0.122   0.122     3.051   53.571   53.571
LGA    V    78_A      V    78_A     2.958     0    0.038   1.024     5.947   62.976   56.599
LGA    S    79_A      S    79_A     2.649     0    0.162   0.483     3.614   60.952   57.381
LGA    A    80_A      A    80_A     2.140     0    0.041   0.049     2.444   68.810   68.000
LGA    R    81_A      R    81_A     1.751     0    0.005   0.995     6.706   77.143   59.913
LGA    G    82_A      G    82_A     1.189     0    0.060   0.060     1.472   83.690   83.690
LGA    L    83_A      L    83_A     0.880     0    0.014   0.124     1.024   88.214   89.345
LGA    R    84_A      R    84_A     0.810     0    0.026   0.693     3.782   90.476   66.364
LGA    H    85_A      H    85_A     0.615     0    0.036   0.349     1.265   90.476   88.667
LGA    I    86_A      I    86_A     0.524     0    0.020   0.165     0.695   95.238   94.048
LGA    I    87_A      I    87_A     0.536     0    0.026   0.040     1.020   95.238   91.726
LGA    D    88_A      D    88_A     0.449     0    0.054   0.138     0.908   97.619   94.048
LGA    F    89_A      F    89_A     0.414     0    0.051   0.152     0.678   97.619   99.134
LGA    A    90_A      A    90_A     0.533     0    0.025   0.027     1.058   90.595   90.571
LGA    Y    91_A      Y    91_A     1.050     0    0.097   0.293     2.055   83.690   79.405
LGA    S    92_A      S    92_A     1.315     0    0.034   0.047     1.421   81.429   81.429
LGA    A    93_A      A    93_A     1.241     0    0.018   0.026     1.435   81.429   81.429
LGA    E    94_A      E    94_A     1.392     0    0.037   0.138     2.251   81.429   75.767
LGA    V    95_A      V    95_A     1.242     0    0.033   0.081     1.496   81.429   81.429
LGA    T    96_A      T    96_A     0.918     0    0.051   0.087     1.340   85.952   84.014
LGA    L    97_A      L    97_A     0.896     0    0.046   0.070     1.099   90.476   89.345
LGA    D    98_A      D    98_A     1.244     0    0.118   0.961     3.016   81.429   73.274
LGA    L    99_A      L    99_A     1.589     0    0.102   1.368     3.923   72.976   70.298
LGA    D   100_A      D   100_A     1.295     0    0.115   0.895     3.862   83.690   70.000
LGA    C   101_A      C   101_A     1.096     0    0.029   0.073     1.165   81.429   82.937
LGA    V   102_A      V   102_A     1.107     0    0.014   0.107     1.477   81.429   81.429
LGA    Q   103_A      Q   103_A     1.103     0    0.042   0.844     2.343   83.690   78.730
LGA    D   104_A      D   104_A     0.829     0    0.013   0.772     2.728   88.214   79.762
LGA    V   105_A      V   105_A     0.686     0    0.020   0.043     0.868   90.476   90.476
LGA    L   106_A      L   106_A     0.910     0    0.018   1.390     3.073   90.476   79.940
LGA    G   107_A      G   107_A     0.675     0    0.079   0.079     0.727   90.476   90.476
LGA    A   108_A      A   108_A     0.611     0    0.047   0.057     0.653   90.476   90.476
LGA    A   109_A      A   109_A     0.686     0    0.019   0.027     0.739   90.476   90.476
LGA    V   110_A      V   110_A     0.799     0    0.015   0.035     0.829   90.476   90.476
LGA    F   111_A      F   111_A     0.722     0    0.021   0.563     2.204   90.476   80.173
LGA    L   112_A      L   112_A     0.748     0    0.047   0.085     1.429   88.214   85.952
LGA    Q   113_A      Q   113_A     0.848     0    0.035   0.813     3.354   88.214   78.413
LGA    M   114_A      M   114_A     1.018     0    0.063   1.139     2.983   88.214   79.881
LGA    L   115_A      L   115_A     0.743     0    0.037   1.432     4.009   90.595   73.810
LGA    P   116_A      P   116_A     0.942     0    0.021   0.035     1.274   90.476   86.599
LGA    V   117_A      V   117_A     0.964     0    0.028   0.040     1.176   90.476   89.184
LGA    V   118_A      V   118_A     0.645     0    0.027   0.054     0.717   90.476   91.837
LGA    E   119_A      E   119_A     0.772     0    0.026   0.440     2.040   90.476   85.608
LGA    L   120_A      L   120_A     0.960     0    0.032   0.089     1.179   90.476   87.083
LGA    C   121_A      C   121_A     0.951     0    0.013   0.067     1.419   90.476   87.460
LGA    E   122_A      E   122_A     0.932     0    0.022   0.240     1.021   90.476   89.471
LGA    E   123_A      E   123_A     0.865     0    0.013   0.982     5.593   90.476   64.603
LGA    F   124_A      F   124_A     0.776     0    0.048   0.138     1.796   90.476   83.203
LGA    L   125_A      L   125_A     1.078     0    0.046   1.382     2.795   83.690   77.440
LGA    K   126_A      K   126_A     1.530     0    0.016   1.031     5.949   77.143   57.143
LGA    A   127_A      A   127_A     1.298     0    0.010   0.014     1.325   81.429   81.429
LGA    A   128_A      A   128_A     1.028     0    0.034   0.038     1.384   81.429   83.238
LGA    M   129_A      M   129_A     2.067     0    0.057   0.185     2.784   64.881   65.833

# 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):     8.427          8.326                  8.745           78.824   74.016

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    117    1.38    83.800    88.049     7.897

LGA_LOCAL      RMSD:   1.382  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   9.058  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   8.427  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.119084 * X  +   0.150265 * Y  +  -0.981448 * Z  + -23.337341
  Y_new =   0.314668 * X  +  -0.931815 * Y  +  -0.180846 * Z  + -13.742959
  Z_new =  -0.941702 * X  +  -0.330366 * Y  +   0.063680 * Z  + -25.911377 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.932581  1.227655 -1.380375   [DEG:  110.7288   70.3394  -79.0897 ]
ZXZ: -1.388575  1.507073 -1.908199   [DEG:  -79.5595   86.3489 -109.3318 ]
 
# END of job
