
#######################################################
#                                                     #
#                        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  128 ( 1049),  selected  105 , name one
# Molecule2: number of CA atoms  105 (  864),  selected  105 , 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:    55      22_A - 76_A        4.97    25.91
  LONGEST_CONTINUOUS_SEGMENT:    55      23_A - 77_A        4.91    25.78
  LCS_AVERAGE:     44.44

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34      54_A - 87_A        1.96    26.95
  LONGEST_CONTINUOUS_SEGMENT:    34      55_A - 88_A        1.95    26.97
  LCS_AVERAGE:     19.92

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      62_A - 85_A        1.00    28.08
  LCS_AVERAGE:     11.40

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  105
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     N    22_A     N    22_A      5    8   55      3    6    7   11   17   18   24   29   34   38   41   47   51   54   58   60   63   64   65   66 
LCS_GDT     K    23_A     K    23_A      5    9   55      3    4    5    7   14   22   29   33   37   42   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     V    24_A     V    24_A      5   17   55      3    4    7   19   26   28   34   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     H    25_A     H    25_A      5   17   55      3    4    5    7   19   27   31   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     I    26_A     I    26_A      9   17   55      6   14   18   21   27   29   34   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     I    27_A     I    27_A      9   17   55      4   14   18   23   27   29   34   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     K    28_A     K    28_A      9   17   55      6   14   18   23   27   29   34   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     C    29_A     C    29_A      9   17   55      7   14   18   23   27   29   34   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     H    30_A     H    30_A      9   17   55      7   14   18   23   27   29   34   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     F    31_A     F    31_A      9   17   55      7   14   18   26   31   33   35   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     D    32_A     D    32_A      9   17   55      3   11   18   23   29   33   35   38   42   44   46   49   51   56   59   60   63   64   65   66 
LCS_GDT     K    33_A     K    33_A      9   17   55      4   10   18   23   26   29   32   36   41   43   46   48   48   53   59   60   63   64   65   66 
LCS_GDT     C    34_A     C    34_A      9   17   55      4   14   18   23   26   29   34   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     N    35_A     N    35_A      8   17   55      4    7   10   21   27   29   34   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     K    36_A     K    36_A      8   17   55      5   14   18   23   27   29   34   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     S    37_A     S    37_A      8   17   55      7   14   18   23   27   29   34   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     Y    38_A     Y    38_A      8   17   55      6   14   18   23   27   29   34   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     N    39_A     N    39_A      8   17   55      6   14   18   21   27   29   34   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     W    40_A     W    40_A      8   17   55      5    8   15   20   27   29   34   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     R    41_A     R    41_A      5   17   55      4    4    5    5    6   10   15   27   31   35   43   48   48   49   55   58   61   63   65   66 
LCS_GDT     K    42_A     K    42_A      5   17   55      4    4    5    8   16   21   28   32   35   37   44   48   48   49   51   53   58   59   62   66 
LCS_GDT     K    43_A     K    43_A      5   16   55      4    4    5    8   11   14   17   26   32   37   39   41   43   47   49   49   51   53   59   62 
LCS_GDT     Y    44_A     Y    44_A      5   18   55      4    4    9   12   16   25   30   34   36   39   43   48   48   49   49   52   55   59   62   64 
LCS_GDT     G    45_A     G    45_A     14   19   55      3   12   15   18   26   27   32   38   42   44   46   48   51   53   57   60   63   64   65   66 
LCS_GDT     K    46_A     K    46_A     14   19   55      6   12   18   23   26   29   34   38   42   44   46   49   51   55   59   60   63   64   65   66 
LCS_GDT     L    47_A     L    47_A     14   19   55      7   12   16   23   26   29   34   38   42   44   46   49   51   55   59   60   63   64   65   66 
LCS_GDT     R    48_A     R    48_A     14   19   55      7   12   18   23   27   29   34   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     L    49_A     L    49_A     14   19   55      7   12   18   23   27   29   34   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     V    50_A     V    50_A     14   19   55      7   12   18   23   27   29   34   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     D    51_A     D    51_A     14   19   55      7   12   18   23   27   29   34   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     H    52_A     H    52_A     14   19   55      7   14   18   23   27   29   34   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     A    53_A     A    53_A     14   19   55      7   14   18   23   27   29   34   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     F    54_A     F    54_A     14   34   55      6   14   18   23   27   29   34   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     T    55_A     T    55_A     14   34   55      6   12   18   23   27   32   35   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     H    56_A     H    56_A     14   34   55      6   12   19   27   31   33   35   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     V    57_A     V    57_A     14   34   55      4   10   17   27   31   33   35   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     P    58_A     P    58_A     14   34   55      4   16   21   27   31   33   35   37   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     H    59_A     H    59_A      6   34   55      3    7   21   27   31   33   35   37   39   44   46   48   52   56   59   60   63   64   65   66 
LCS_GDT     L    60_A     L    60_A      4   34   55      7   14   18   23   27   33   35   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     K    61_A     K    61_A     22   34   55      3   13   19   25   31   33   35   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     M    62_A     M    62_A     24   34   55      7   20   22   27   31   33   35   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     K    63_A     K    63_A     24   34   55      7   20   22   27   31   33   35   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     C    64_A     C    64_A     24   34   55      9   20   22   27   31   33   35   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     N    65_A     N    65_A     24   34   55      4   15   22   27   31   33   35   37   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     F    66_A     F    66_A     24   34   55      4   15   22   27   31   33   35   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     C    67_A     C    67_A     24   34   55      4   12   19   27   31   33   35   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     D    68_A     D    68_A     24   34   55      4   20   22   27   31   33   34   38   42   44   46   48   51   54   58   60   63   64   65   66 
LCS_GDT     Y    69_A     Y    69_A     24   34   55      6   17   22   27   31   33   35   37   39   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     M    70_A     M    70_A     24   34   55      7   20   22   27   31   33   35   38   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     C    71_A     C    71_A     24   34   55      5   20   22   27   31   33   35   37   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     K    72_A     K    72_A     24   34   55      8   20   22   27   31   33   35   37   42   44   46   49   52   56   59   60   63   64   65   66 
LCS_GDT     G    73_A     G    73_A     24   34   55      9   20   22   27   31   33   35   37   39   41   45   49   52   56   59   60   63   64   65   66 
LCS_GDT     I    74_A     I    74_A     24   34   55      9   20   22   27   31   33   35   37   39   40   42   48   52   56   59   60   63   64   65   66 
LCS_GDT     R    75_A     R    75_A     24   34   55      9   20   22   27   31   32   35   37   39   40   42   44   48   51   55   59   63   64   65   66 
LCS_GDT     N    76_A     N    76_A     24   34   55      9   20   22   27   31   33   35   37   39   41   43   48   52   56   59   60   63   64   65   66 
LCS_GDT     I    77_A     I    77_A     24   34   55      9   20   22   27   31   33   35   37   39   42   45   49   52   56   59   60   63   64   65   66 
LCS_GDT     R    78_A     R    78_A     24   34   45      9   20   22   27   31   33   35   37   39   41   43   48   52   56   59   60   63   64   65   66 
LCS_GDT     L    79_A     L    79_A     24   34   45      9   20   22   27   31   33   35   37   39   41   43   48   52   56   59   60   63   64   65   66 
LCS_GDT     H    80_A     H    80_A     24   34   45      9   20   22   27   31   33   35   37   39   41   45   48   52   56   59   60   63   64   65   66 
LCS_GDT     H    81_A     H    81_A     24   34   45      8   20   22   27   31   33   35   37   39   42   45   49   52   56   59   60   63   64   65   66 
LCS_GDT     K    82_A     K    82_A     24   34   45      8   20   22   27   31   33   35   37   39   41   44   48   52   56   59   60   63   64   65   66 
LCS_GDT     K    83_A     K    83_A     24   34   45      4   20   22   27   31   33   35   37   39   41   44   48   52   56   59   60   63   64   65   66 
LCS_GDT     S    84_A     S    84_A     24   34   45      4   20   22   27   31   33   35   37   39   42   45   49   52   56   59   60   63   64   65   66 
LCS_GDT     H    85_A     H    85_A     24   34   45      9   20   22   27   31   33   35   37   39   42   45   49   52   56   59   60   63   64   65   66 
LCS_GDT     P    86_A     P    86_A     20   34   45      4    7    9   25   28   33   35   37   39   42   45   49   52   56   59   60   63   64   65   66 
LCS_GDT     D    87_A     D    87_A     20   34   45      4   15   22   27   31   33   35   37   39   42   45   49   52   56   59   60   63   64   65   66 
LCS_GDT     E    88_A     E    88_A      4   34   45      4    4    8   15   24   31   35   36   39   42   45   49   52   56   59   60   63   64   65   66 
LCS_GDT     Q    89_A     Q    89_A      4    7   45      4    4    5    6    9    9   11   20   27   32   39   48   52   56   59   60   63   64   65   66 
LCS_GDT     L    90_A     L    90_A      4    7   45      4    4    5    6    7    8    9   15   23   27   33   41   43   49   55   59   62   62   64   65 
LCS_GDT     T    91_A     T    91_A      4    7   44      4    4    5    6    7    8    9   10   11   12   12   15   15   18   23   30   31   39   44   50 
LCS_GDT     G    92_A     G    92_A      4    7   34      3    4    5    6    7    8    9   10   11   12   13   15   18   22   26   29   32   34   34   35 
LCS_GDT     F    93_A     F    93_A      4    7   34      3    4    5    6    7    9   11   15   20   21   25   28   30   31   32   33   33   34   34   35 
LCS_GDT     G    94_A     G    94_A      3    7   34      3    3    4    5    7    9   14   19   20   21   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     I    95_A     I    95_A      3    5   34      3    3    4    5    7   11   14   19   20   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     K    96_A     K    96_A      3    5   34      3    4    4    5    5    6    7    9   18   20   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     S    97_A     S    97_A      3    6   34      3    4    4    5    7   11   16   19   20   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     V    98_A     V    98_A      3    6   34      3    4    5   10   13   17   20   21   21   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     V    99_A     V    99_A      4    6   34      3    4    4    5    5    7   12   18   21   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     R   100_A     R   100_A      4    6   34      3    4    4    5    5    7   10   18   21   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     T   101_A     T   101_A      4   16   34      3    4    6   11   14   17   20   21   21   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     S   102_A     S   102_A      4   18   34      4    4   10   14   17   18   20   21   21   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     K   103_A     K   103_A      4   18   34      4    4    7   14   17   18   20   21   21   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     K   104_A     K   104_A      7   18   34      4    6   10   14   17   18   20   21   21   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     G   105_A     G   105_A      7   18   34      4    6    9   14   17   18   20   21   21   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     K   106_A     K   106_A      8   18   34      4    6   10   13   17   18   20   21   21   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     D   107_A     D   107_A     10   18   34      4    7   10   14   17   18   20   21   21   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     L   108_A     L   108_A     11   18   34      3    9   10   14   17   18   20   21   21   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     A   109_A     A   109_A     11   18   34      6    9   10   13   17   18   20   21   21   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     K   110_A     K   110_A     11   18   34      6    9   10   14   17   18   20   21   21   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     V   111_A     V   111_A     11   18   34      6    9   10   14   17   18   20   21   21   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     W   112_A     W   112_A     11   18   34      6    9   10   14   17   18   20   21   21   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     D   113_A     D   113_A     11   18   34      6    9   10   14   17   18   20   21   21   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     E   114_A     E   114_A     11   18   34      6    9   10   14   17   18   20   21   21   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     C   115_A     C   115_A     11   18   34      4    9   10   14   17   18   20   21   21   23   24   26   30   31   32   33   33   34   34   35 
LCS_GDT     F   116_A     F   116_A     11   18   34      4    9   10   12   16   18   20   21   21   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     K   117_A     K   117_A     11   18   34      3    3    8   12   17   18   20   21   21   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     K   118_A     K   118_A     11   18   34      4    5   10   12   15   17   20   21   21   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     N   119_A     N   119_A      5   18   34      4    5    5   14   17   18   20   21   21   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     R   120_A     R   120_A      5   15   34      4    5    5   14   17   18   20   21   21   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     V   121_A     V   121_A      5    6   34      4    5    5    5    6    7   10   14   17   20   22   25   29   31   32   33   33   34   34   35 
LCS_GDT     L   122_A     L   122_A      5    6   34      4    5    5    5    5    6    7    8    9   13   14   21   23   29   32   33   33   34   34   35 
LCS_GDT     Q   123_A     Q   123_A      3    6   34      3    3    4    5    6    7   10   18   20   22   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     H   124_A     H   124_A      3    5   34      3    3    3    4    5    9   12   13   18   21   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     G   125_A     G   125_A      3    4   34      3    3    3    4    8   11   13   17   19   23   26   28   30   31   32   33   33   34   34   35 
LCS_GDT     S   126_A     S   126_A      3    3   34      0    3    3    3    3    4    4    5    5   17   18   24   27   31   31   32   33   34   34   35 
LCS_AVERAGE  LCS_A:  25.25  (  11.40   19.92   44.44 )

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      9     20     22     27     31     33     35     38     42     44     46     49     52     56     59     60     63     64     65     66 
GDT PERCENT_AT   8.57  19.05  20.95  25.71  29.52  31.43  33.33  36.19  40.00  41.90  43.81  46.67  49.52  53.33  56.19  57.14  60.00  60.95  61.90  62.86
GDT RMS_LOCAL    0.26   0.64   0.83   1.12   1.46   1.74   2.00   2.61   2.87   3.04   3.23   3.91   4.16   4.45   4.65   4.72   4.97   5.06   5.20   5.38
GDT RMS_ALL_AT  28.43  28.76  28.44  27.92  27.24  27.00  26.59  26.19  25.92  25.97  25.95  24.28  23.69  23.71  23.80  23.82  23.94  24.04  24.09  24.20

# Checking swapping
#   possible swapping detected:  Y    38_A      Y    38_A
#   possible swapping detected:  D    68_A      D    68_A
#   possible swapping detected:  Y    69_A      Y    69_A
#   possible swapping detected:  F    93_A      F    93_A
#   possible swapping detected:  E   114_A      E   114_A
#   possible swapping detected:  F   116_A      F   116_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    22_A      N    22_A    12.416     0    0.436   1.152    12.692    0.000    0.000
LGA    K    23_A      K    23_A     8.518     0    0.201   1.246    15.151    5.357    2.381
LGA    V    24_A      V    24_A     3.404     0    0.066   0.074     5.654   35.000   44.558
LGA    H    25_A      H    25_A     4.613     0    0.262   1.116    12.899   43.929   19.048
LGA    I    26_A      I    26_A     2.543     0    0.592   1.238     8.438   69.048   42.202
LGA    I    27_A      I    27_A     1.437     0    0.096   1.048     5.133   81.548   67.381
LGA    K    28_A      K    28_A     1.104     0    0.087   0.610     2.145   83.690   76.772
LGA    C    29_A      C    29_A     1.201     0    0.026   0.076     1.292   81.429   81.429
LGA    H    30_A      H    30_A     1.410     0    0.215   1.243     8.589   77.143   44.667
LGA    F    31_A      F    31_A     1.735     0    0.046   0.101     2.642   72.976   67.836
LGA    D    32_A      D    32_A     2.485     0    0.593   1.092     5.830   59.167   51.071
LGA    K    33_A      K    33_A     3.971     0    0.303   0.675     7.192   41.786   31.481
LGA    C    34_A      C    34_A     2.873     0    0.460   0.845     4.079   50.357   56.667
LGA    N    35_A      N    35_A     2.050     0    0.057   0.370     3.752   75.119   62.738
LGA    K    36_A      K    36_A     1.173     0    0.080   1.087     2.090   79.286   74.815
LGA    S    37_A      S    37_A     1.072     0    0.025   0.057     1.840   79.286   78.571
LGA    Y    38_A      Y    38_A     1.776     0    0.045   0.219     2.133   72.976   79.405
LGA    N    39_A      N    39_A     2.670     0    0.602   0.466     4.806   52.143   45.476
LGA    W    40_A      W    40_A     3.197     0    0.130   1.045     9.096   36.190   29.728
LGA    R    41_A      R    41_A     7.141     0    0.125   1.586    18.364   19.881    7.273
LGA    K    42_A      K    42_A     7.193     0    0.031   1.270     8.788    8.571   13.175
LGA    K    43_A      K    43_A    10.109     0    0.173   0.889    19.636    0.714    0.317
LGA    Y    44_A      Y    44_A     7.245     0    0.622   0.690    12.173    9.405    5.516
LGA    G    45_A      G    45_A     4.260     0    0.018   0.018     4.692   37.262   37.262
LGA    K    46_A      K    46_A     2.674     0    0.257   0.939     3.519   57.262   63.915
LGA    L    47_A      L    47_A     2.685     0    0.035   1.168     4.104   60.952   53.869
LGA    R    48_A      R    48_A     1.963     0    0.098   1.138     3.031   77.381   69.567
LGA    L    49_A      L    49_A     1.317     0    0.027   1.470     5.343   81.548   62.202
LGA    V    50_A      V    50_A     1.665     0    0.038   0.110     2.533   72.857   68.299
LGA    D    51_A      D    51_A     2.040     0    0.076   0.954     2.227   68.810   70.893
LGA    H    52_A      H    52_A     1.044     0    0.021   0.058     1.741   79.286   79.762
LGA    A    53_A      A    53_A     0.887     0    0.054   0.076     1.242   85.952   86.857
LGA    F    54_A      F    54_A     1.379     0    0.097   1.419     7.876   79.286   51.861
LGA    T    55_A      T    55_A     1.526     0    0.181   0.168     2.816   71.071   75.510
LGA    H    56_A      H    56_A     1.363     0    0.259   0.266     1.870   77.143   80.619
LGA    V    57_A      V    57_A     2.851     0    0.168   0.204     3.199   57.262   56.190
LGA    P    58_A      P    58_A     4.321     0    0.683   0.693     5.283   42.143   36.871
LGA    H    59_A      H    59_A     5.929     0    0.654   1.355    13.837   29.405   12.476
LGA    L    60_A      L    60_A     2.181     0    0.092   1.083     8.260   55.714   40.298
LGA    K    61_A      K    61_A     3.439     0    0.615   1.512    11.972   50.357   25.767
LGA    M    62_A      M    62_A     3.488     0    0.055   0.164     8.738   63.095   39.405
LGA    K    63_A      K    63_A     2.556     0    0.033   1.358    10.059   47.143   33.757
LGA    C    64_A      C    64_A     3.767     0    0.042   0.044     5.472   50.238   44.048
LGA    N    65_A      N    65_A     4.820     0    0.275   0.250     9.018   35.833   21.905
LGA    F    66_A      F    66_A     3.867     0    0.217   0.427     8.312   43.452   23.463
LGA    C    67_A      C    67_A     3.449     0    0.600   0.557     5.372   51.786   43.254
LGA    D    68_A      D    68_A     4.149     0    0.095   0.974     8.633   35.000   22.143
LGA    Y    69_A      Y    69_A     5.874     0    0.076   1.371    14.780   36.786   13.254
LGA    M    70_A      M    70_A     3.783     0    0.019   0.219     7.500   29.524   27.619
LGA    C    71_A      C    71_A     4.804     0    0.097   0.800     8.118   42.262   32.540
LGA    K    72_A      K    72_A     5.571     0    0.633   0.946     9.067   19.286   15.979
LGA    G    73_A      G    73_A     9.205     0    0.084   0.084     9.736    2.024    2.024
LGA    I    74_A      I    74_A    11.387     0    0.043   0.095    13.615    0.000    0.000
LGA    R    75_A      R    75_A    14.638     0    0.036   1.638    16.132    0.000    0.000
LGA    N    76_A      N    76_A    12.621     0    0.041   0.167    14.331    0.000    0.000
LGA    I    77_A      I    77_A    10.040     0    0.074   0.915    11.605    0.000    2.679
LGA    R    78_A      R    78_A    14.101     0    0.032   0.947    20.332    0.000    0.000
LGA    L    79_A      L    79_A    15.808     0    0.035   0.976    20.133    0.000    0.000
LGA    H    80_A      H    80_A    12.542     0    0.034   0.044    13.411    0.000    0.905
LGA    H    81_A      H    81_A    12.325     0    0.034   1.295    13.682    0.000    0.000
LGA    K    82_A      K    82_A    16.458     0    0.032   1.037    18.203    0.000    0.000
LGA    K    83_A      K    83_A    16.157     0    0.069   0.720    22.265    0.000    0.000
LGA    S    84_A      S    84_A    11.640     0    0.213   0.227    13.174    0.000    0.079
LGA    H    85_A      H    85_A    11.447     0    0.566   0.561    16.093    0.000    6.429
LGA    P    86_A      P    86_A    13.508     0    0.068   0.373    13.776    0.000    0.000
LGA    D    87_A      D    87_A    14.352     0    0.727   1.296    15.821    0.000    0.000
LGA    E    88_A      E    88_A    13.422     0    0.484   1.000    15.600    0.000    0.053
LGA    Q    89_A      Q    89_A    14.967     0    0.636   1.419    17.389    0.000    0.000
LGA    L    90_A      L    90_A    18.771     0    0.065   1.136    20.057    0.000    0.000
LGA    T    91_A      T    91_A    23.612     0    0.105   1.169    26.390    0.000    0.000
LGA    G    92_A      G    92_A    27.406     0    0.208   0.208    31.186    0.000    0.000
LGA    F    93_A      F    93_A    32.506     0    0.576   1.463    36.277    0.000    0.000
LGA    G    94_A      G    94_A    38.746     0    0.391   0.391    40.086    0.000    0.000
LGA    I    95_A      I    95_A    41.617     0    0.142   1.225    44.200    0.000    0.000
LGA    K    96_A      K    96_A    41.709     0    0.477   0.907    49.728    0.000    0.000
LGA    S    97_A      S    97_A    36.374     0    0.685   0.896    38.268    0.000    0.000
LGA    V    98_A      V    98_A    33.018     0    0.609   0.624    34.117    0.000    0.000
LGA    V    99_A      V    99_A    36.116     0    0.459   0.948    40.605    0.000    0.000
LGA    R   100_A      R   100_A    36.251     0    0.173   1.114    44.979    0.000    0.000
LGA    T   101_A      T   101_A    34.894     0    0.637   1.400    37.375    0.000    0.000
LGA    S   102_A      S   102_A    31.688     0    0.642   0.780    35.327    0.000    0.000
LGA    K   103_A      K   103_A    36.316     0    0.048   0.591    39.808    0.000    0.000
LGA    K   104_A      K   104_A    38.523     4    0.292   0.286    39.871    0.000    0.000
LGA    G   105_A      G   105_A    37.841     0    0.060   0.060    39.969    0.000    0.000
LGA    K   106_A      K   106_A    43.034     0    0.081   0.948    47.294    0.000    0.000
LGA    D   107_A      D   107_A    44.448     0    0.040   0.107    47.509    0.000    0.000
LGA    L   108_A      L   108_A    40.127     0    0.148   0.196    41.245    0.000    0.000
LGA    A   109_A      A   109_A    41.690     0    0.074   0.071    43.982    0.000    0.000
LGA    K   110_A      K   110_A    47.316     0    0.041   0.895    54.280    0.000    0.000
LGA    V   111_A      V   111_A    45.524     0    0.052   1.002    45.598    0.000    0.000
LGA    W   112_A      W   112_A    42.136     0    0.042   1.185    44.523    0.000    0.000
LGA    D   113_A      D   113_A    47.225     0    0.046   1.107    49.907    0.000    0.000
LGA    E   114_A      E   114_A    51.540     0    0.117   1.047    54.268    0.000    0.000
LGA    C   115_A      C   115_A    49.166     0    0.025   0.036    50.246    0.000    0.000
LGA    F   116_A      F   116_A    46.768     0    0.168   1.398    48.000    0.000    0.000
LGA    K   117_A      K   117_A    49.702     0    0.632   1.009    57.501    0.000    0.000
LGA    K   118_A      K   118_A    52.893     0    0.735   0.956    53.899    0.000    0.000
LGA    N   119_A      N   119_A    52.434     0    0.178   1.069    54.525    0.000    0.000
LGA    R   120_A      R   120_A    50.861     6    0.062   0.059    51.828    0.000    0.000
LGA    V   121_A      V   121_A    50.758     0    0.218   1.144    54.193    0.000    0.000
LGA    L   122_A      L   122_A    48.598     0    0.674   0.985    50.232    0.000    0.000
LGA    Q   123_A      Q   123_A    47.909     0    0.053   1.054    48.273    0.000    0.000
LGA    H   124_A      H   124_A    48.484     0    0.090   1.203    50.736    0.000    0.000
LGA    G   125_A      G   125_A    51.479     0    0.689   0.689    56.091    0.000    0.000
LGA    S   126_A      S   126_A    57.227     0    0.239   0.726    58.664    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      105     420    420  100.00     864    864  100.00               105
SUMMARY(RMSD_GDC):    18.342         18.323                 18.647           25.477   21.755

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0     38    2.61    34.524    31.417     1.400

LGA_LOCAL      RMSD:   2.614  Number of atoms:   38  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  26.188  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:  18.342  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.746093 * X  +   0.609410 * Y  +  -0.268263 * Z  + -22.336977
  Y_new =  -0.554928 * X  +  -0.791764 * Y  +  -0.255275 * Z  +  26.219145
  Z_new =  -0.367968 * X  +  -0.041592 * Y  +   0.928908 * Z  +  -7.035608 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.502085  0.376822 -0.044745   [DEG: -143.3589   21.5903   -2.5637 ]
ZXZ: -0.810202  0.379344 -1.683350   [DEG:  -46.4211   21.7348  -96.4489 ]
 
# END of job
