
#######################################################
#                                                     #
#                        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  124 ( 1034),  selected  104 , name one
# Molecule2: number of CA atoms  104 (  843),  selected  104 , 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:    69      20_A - 88_A        4.93    24.12
  LONGEST_CONTINUOUS_SEGMENT:    69      21_A - 89_A        4.96    24.15
  LCS_AVERAGE:     53.12

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38      47_A - 84_A        1.97    24.30
  LONGEST_CONTINUOUS_SEGMENT:    38      48_A - 85_A        1.94    24.25
  LCS_AVERAGE:     21.54

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      57_A - 85_A        0.90    24.91
  LCS_AVERAGE:     12.80

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  104
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     K    17_A     K    17_A      3    3   15      3    3    3    3    3    4    5   10   11   15   20   25   36   42   43   45   50   54   55   58 
LCS_GDT     E    18_A     E    18_A      3    3   15      3    3    3    3    3    4    8   10   12   21   29   38   43   44   46   53   55   58   62   64 
LCS_GDT     E    19_A     E    19_A      3    3   67      3    3    3    3    6    7   10   11   12   15   27   31   43   44   46   48   53   58   60   64 
LCS_GDT     M    20_A     M    20_A      5    7   69      3    4    5    6    7   10   11   11   13   16   29   46   56   57   58   59   62   63   64   66 
LCS_GDT     N    21_A     N    21_A      5    7   69      3    4    5    6    7   10   11   11   13   19   47   52   59   60   62   63   64   65   65   66 
LCS_GDT     K    22_A     K    22_A      5    7   69      3    4    5    6    8   23   35   42   54   56   59   61   62   63   63   64   64   65   65   66 
LCS_GDT     V    23_A     V    23_A      5    8   69      2    6   14   19   28   39   47   54   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     H    24_A     H    24_A      5   16   69      3    4   10   17   26   36   47   54   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     N    25_A     N    25_A      5   17   69      3   10   20   32   42   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     I    26_A     I    26_A      5   17   69      5   15   22   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     K    27_A     K    27_A      5   17   69      5   15   22   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     C    28_A     C    28_A      5   17   69      4   15   22   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     H    29_A     H    29_A      5   17   69      3    5   18   31   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     F    30_A     F    30_A      8   17   69      4   15   22   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     D    31_A     D    31_A      8   17   69      3    7   22   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     N    32_A     N    32_A      8   17   69      3    8   18   29   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     C    33_A     C    33_A      8   17   69      4   15   22   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     N    34_A     N    34_A      8   17   69      4   11   22   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     R    35_A     R    35_A      8   17   69      4   15   22   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     K    36_A     K    36_A      8   17   69      5   15   22   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     I    37_A     I    37_A      8   17   69      5   15   22   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     H    38_A     H    38_A      8   17   69      5   15   22   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     W    39_A     W    39_A      8   17   69      5   15   22   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     K    40_A     K    40_A      4   17   69      3    3    6   13   31   40   49   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     I    41_A     I    41_A      4   17   69      3   12   17   26   34   42   51   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     R    42_A     R    42_A      4   12   69      3    3    6    8   12   17   23   34   38   42   48   53   58   61   62   63   63   63   64   64 
LCS_GDT     Y    43_A     Y    43_A      4   12   69      3    3    5    5    9   12   18   22   32   41   45   51   58   61   62   63   63   63   64   64 
LCS_GDT     G    44_A     G    44_A     10   20   69      3    6   12   22   31   40   47   56   58   60   61   61   62   62   63   64   64   65   65   66 
LCS_GDT     K    45_A     K    45_A     13   29   69      3   11   17   23   33   44   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     L    46_A     L    46_A     13   32   69      7   12   17   26   37   48   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     R    47_A     R    47_A     13   38   69      7   12   20   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     L    48_A     L    48_A     13   38   69      7   12   20   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     V    49_A     V    49_A     13   38   69      7   12   20   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     D    50_A     D    50_A     13   38   69      7   12   22   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     H    51_A     H    51_A     13   38   69      7   15   22   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     A    52_A     A    52_A     13   38   69      7   15   22   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     L    53_A     L    53_A     13   38   69      6   15   22   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     S    54_A     S    54_A     13   38   69      4   15   22   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     H    55_A     H    55_A     13   38   69      4   15   22   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     Q    56_A     Q    56_A     13   38   69      3   15   22   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     E    57_A     E    57_A     29   38   69      5    8   27   29   41   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     E    58_A     E    58_A     29   38   69      9   24   27   29   39   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     K    59_A     K    59_A     29   38   69      5   21   27   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     S    60_A     S    60_A     29   38   69      6   21   27   29   38   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     I    61_A     I    61_A     29   38   69      7   24   27   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     D    62_A     D    62_A     29   38   69      4   24   27   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     C    63_A     C    63_A     29   38   69      9   24   27   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     Q    64_A     Q    64_A     29   38   69     12   24   27   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     K    65_A     K    65_A     29   38   69     12   24   27   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     C    66_A     C    66_A     29   38   69     12   24   27   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     E    67_A     E    67_A     29   38   69      6   24   27   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     Y    68_A     Y    68_A     29   38   69     12   24   27   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     S    69_A     S    69_A     29   38   69     12   24   27   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     C    70_A     C    70_A     29   38   69      6   24   27   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     Q    71_A     Q    71_A     29   38   69     12   24   27   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     T    72_A     T    72_A     29   38   69     11   24   27   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     T    73_A     T    73_A     29   38   69      9   24   27   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     R    74_A     R    74_A     29   38   69     12   24   27   29   40   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     Q    75_A     Q    75_A     29   38   69     12   24   27   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     M    76_A     M    76_A     29   38   69     12   24   27   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     R    77_A     R    77_A     29   38   69     12   24   27   29   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     Y    78_A     Y    78_A     29   38   69     12   24   27   29   43   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     H    79_A     H    79_A     29   38   69     12   24   27   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     Y    80_A     Y    80_A     29   38   69      9   24   27   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     K    81_A     K    81_A     29   38   69      8   16   26   29   35   49   53   55   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     K    82_A     K    82_A     29   38   69      5   17   27   31   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     I    83_A     I    83_A     29   38   69      7   24   27   32   45   49   53   56   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     H    84_A     H    84_A     29   38   69      5   24   27   29   41   49   53   55   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     A    85_A     A    85_A     29   38   69      5   24   27   29   35   46   53   55   58   60   61   61   62   63   63   64   64   65   65   66 
LCS_GDT     N    86_A     N    86_A      5   34   69      4    4    7   11   21   29   38   44   48   52   56   59   61   63   63   64   64   65   65   66 
LCS_GDT     L    87_A     L    87_A      5    6   69      4    4    7    8    8   15   28   35   43   48   55   57   60   63   63   64   64   65   65   66 
LCS_GDT     K    88_A     K    88_A      5    6   69      4    4    7    8    8    9   10   11   19   28   33   44   46   50   56   60   61   63   65   65 
LCS_GDT     M    89_A     M    89_A      5    8   69      4    4    7    8    8    8    9   11   13   15   21   26   35   43   47   51   54   62   63   64 
LCS_GDT     E    90_A     E    90_A      5    8   19      4    5    7    8    8    9   10   11   13   14   15   17   20   22   28   33   40   47   53   54 
LCS_GDT     G    91_A     G    91_A      3    8   22      4    5    5    5    8    9   10   11   12   13   14   17   19   22   25   26   28   30   34   36 
LCS_GDT     F    92_A     F    92_A      3    8   27      3    4    6    6    8    9   10   11   12   13   14   17   18   22   25   26   28   30   34   36 
LCS_GDT     G    93_A     G    93_A      4    8   27      3    4    6    6    8    9   10   11   13   17   21   23   24   25   25   27   28   30   34   36 
LCS_GDT     I    94_A     I    94_A      4    8   27      3    5    6    6    8    9   12   14   17   21   22   23   24   25   26   27   28   30   34   36 
LCS_GDT     L    95_A     L    95_A      4    8   27      3    5    5    5    6    8    9   11   13   15   22   23   24   25   26   27   28   30   34   36 
LCS_GDT     N    96_A     N    96_A      4    8   27      4    5    5    5    7    9   12   14   17   21   22   23   24   25   26   27   28   30   34   36 
LCS_GDT     I    97_A     I    97_A      4    7   27      3    4    5    5    8   11   13   17   19   21   22   23   24   25   26   27   28   30   34   36 
LCS_GDT     P    98_A     P    98_A      4   15   27      3    4    6    9   12   14   15   17   19   21   22   23   24   25   26   27   28   29   30   35 
LCS_GDT     L    99_A     L    99_A      9   15   27      4    8   11   12   14   14   15   17   19   21   22   23   24   25   26   27   28   29   30   35 
LCS_GDT     Q   100_A     Q   100_A      9   15   27      4    6    9   10   14   14   15   15   16   16   19   20   21   24   25   26   28   28   30   31 
LCS_GDT     N   101_A     N   101_A      9   15   27      4    7   11   12   14   14   15   16   19   21   22   23   24   25   26   27   28   30   31   32 
LCS_GDT     T   102_A     T   102_A     10   15   27      4    8   11   12   14   14   15   17   19   21   22   23   24   25   26   27   28   30   32   32 
LCS_GDT     K   103_A     K   103_A     10   15   27      4    8   11   12   14   14   15   17   19   21   22   23   24   25   26   28   30   31   34   35 
LCS_GDT     F   104_A     F   104_A     10   15   27      4    8   11   12   14   14   15   17   19   21   22   23   24   25   26   27   28   30   34   36 
LCS_GDT     S   105_A     S   105_A     10   15   27      4    8   11   12   14   14   15   17   19   21   22   23   24   25   26   27   28   30   34   36 
LCS_GDT     D   106_A     D   106_A     10   15   27      4    8   11   12   14   14   15   17   19   21   22   23   24   25   26   27   28   30   34   36 
LCS_GDT     V   107_A     V   107_A     10   15   27      4    8   11   12   14   14   15   17   19   21   22   23   24   25   26   27   28   30   34   36 
LCS_GDT     W   108_A     W   108_A     10   15   27      4    8   10   12   14   14   15   17   19   21   22   23   24   25   26   27   28   30   34   36 
LCS_GDT     N   109_A     N   109_A     10   15   27      4    5   11   12   14   14   15   17   19   21   22   23   24   25   26   27   28   30   34   36 
LCS_GDT     K   110_A     K   110_A     10   15   27      4    8   11   12   14   14   15   17   19   21   22   23   24   25   26   27   28   30   34   36 
LCS_GDT     C   111_A     C   111_A     10   15   27      4    6   11   12   14   14   15   17   19   21   22   23   24   25   26   27   28   30   34   36 
LCS_GDT     F   112_A     F   112_A     10   15   27      3    8   11   12   14   14   15   17   19   21   22   23   24   25   26   27   28   30   34   36 
LCS_GDT     G   113_A     G   113_A      6   15   27      4    4    6    8   12   13   15   17   19   21   22   23   24   25   26   27   28   30   34   36 
LCS_GDT     D   114_A     D   114_A      4   10   27      4    4    4    7   10   13   15   16   19   20   22   23   24   25   26   27   28   30   34   36 
LCS_GDT     Q   115_A     Q   115_A      4   10   27      4    4    4    7   10   13   15   17   19   21   22   23   24   25   26   27   28   30   34   36 
LCS_GDT     L   116_A     L   116_A      4    8   27      4    4    4    5    7    8   10   13   14   19   20   23   24   25   26   27   28   30   34   36 
LCS_GDT     K   117_A     K   117_A      3    4   27      3    3    4    6    9   13   15   17   19   21   22   23   24   25   26   27   28   30   34   36 
LCS_GDT     T   118_A     T   118_A      3    4   27      3    3    4    5    7    9   12   15   16   21   22   23   24   25   25   27   28   29   30   32 
LCS_GDT     I   119_A     I   119_A      3    4   27      3    3    4    5    5    5    8   12   13   16   16   19   19   19   20   24   28   28   30   30 
LCS_GDT     G   120_A     G   120_A      3    3   21      3    3    3    3    3    7    9   12   14   16   18   19   19   19   19   21   23   24   30   30 
LCS_AVERAGE  LCS_A:  29.15  (  12.80   21.54   53.12 )

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     12     24     27     32     45     49     53     56     58     60     61     61     62     63     63     64     64     65     65     66 
GDT PERCENT_AT  11.54  23.08  25.96  30.77  43.27  47.12  50.96  53.85  55.77  57.69  58.65  58.65  59.62  60.58  60.58  61.54  61.54  62.50  62.50  63.46
GDT RMS_LOCAL    0.38   0.66   0.77   1.39   1.73   1.85   2.00   2.31   2.43   2.57   2.65   2.65   2.89   3.25   3.08   3.33   3.33   3.67   3.67   4.11
GDT RMS_ALL_AT  24.78  24.89  24.96  24.67  24.60  24.61  24.57  24.74  24.44  24.53  24.58  24.58  24.47  24.26  24.41  24.32  24.32  24.19  24.19  24.03

# Checking swapping
#   possible swapping detected:  D    31_A      D    31_A
#   possible swapping detected:  Y    43_A      Y    43_A
#   possible swapping detected:  D    62_A      D    62_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  F   104_A      F   104_A
#   possible swapping detected:  D   106_A      D   106_A
#   possible swapping detected:  F   112_A      F   112_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    17_A      K    17_A    31.208     4    0.675   0.627    33.575    0.000    0.000
LGA    E    18_A      E    18_A    26.258     4    0.576   0.596    28.265    0.000    0.000
LGA    E    19_A      E    19_A    24.315     4    0.670   0.601    25.967    0.000    0.000
LGA    M    20_A      M    20_A    19.865     0    0.666   1.050    21.566    0.000    0.000
LGA    N    21_A      N    21_A    15.828     0    0.656   1.250    17.870    0.000    0.000
LGA    K    22_A      K    22_A    10.850     0    0.131   1.152    13.170    0.119    0.106
LGA    V    23_A      V    23_A     6.344     0    0.614   0.546     7.199   14.405   20.204
LGA    H    24_A      H    24_A     6.290     0    0.341   0.890    14.777   23.214    9.571
LGA    N    25_A      N    25_A     1.979     0    0.580   0.787     6.062   77.143   57.024
LGA    I    26_A      I    26_A     1.018     0    0.029   1.260     4.275   88.333   74.345
LGA    K    27_A      K    27_A     0.740     0    0.143   0.874     2.692   92.857   76.455
LGA    C    28_A      C    28_A     0.671     0    0.129   0.184     1.706   83.810   89.206
LGA    H    29_A      H    29_A     2.625     0    0.299   0.997     9.849   68.929   36.571
LGA    F    30_A      F    30_A     1.047     0    0.035   0.791     3.660   77.143   66.407
LGA    D    31_A      D    31_A     2.566     0    0.596   1.126     5.246   59.524   50.119
LGA    N    32_A      N    32_A     2.512     0    0.359   1.106     4.746   66.905   53.631
LGA    C    33_A      C    33_A     0.764     0    0.473   0.500     3.261   75.833   77.698
LGA    N    34_A      N    34_A     1.469     0    0.438   1.100     5.816   69.286   55.000
LGA    R    35_A      R    35_A     1.193     0    0.052   1.245     8.756   85.952   52.597
LGA    K    36_A      K    36_A     1.142     0    0.079   0.664     5.628   79.286   60.106
LGA    I    37_A      I    37_A     0.526     0    0.029   0.627     2.497   92.857   90.833
LGA    H    38_A      H    38_A     1.326     0    0.550   0.702     7.641   71.429   44.810
LGA    W    39_A      W    39_A     1.505     0    0.164   1.123     7.592   58.571   38.027
LGA    K    40_A      K    40_A     4.738     0    0.275   1.148    16.150   34.286   16.508
LGA    I    41_A      I    41_A     4.205     0    0.545   0.779     6.433   28.690   38.869
LGA    R    42_A      R    42_A    11.109     0    0.050   1.183    16.685    0.714    0.260
LGA    Y    43_A      Y    43_A    10.556     0    0.706   1.468    14.454    1.548    0.516
LGA    G    44_A      G    44_A     5.266     0    0.285   0.285     7.258   27.619   27.619
LGA    K    45_A      K    45_A     3.662     0    0.434   1.030     8.047   50.595   32.593
LGA    L    46_A      L    46_A     2.934     0    0.083   0.969     7.871   61.190   42.262
LGA    R    47_A      R    47_A     1.792     0    0.070   1.451     8.336   77.381   47.662
LGA    L    48_A      L    48_A     1.955     0    0.041   0.998     3.056   75.000   67.083
LGA    V    49_A      V    49_A     1.739     0    0.039   1.222     4.388   77.143   67.891
LGA    D    50_A      D    50_A     1.067     0    0.049   0.624     1.911   88.333   81.667
LGA    H    51_A      H    51_A     0.574     0    0.051   0.235     1.570   90.476   85.095
LGA    A    52_A      A    52_A     0.790     0    0.038   0.052     0.845   90.476   90.476
LGA    L    53_A      L    53_A     0.806     0    0.052   1.083     5.076   90.476   69.167
LGA    S    54_A      S    54_A     1.111     0    0.161   0.703     1.667   83.690   81.508
LGA    H    55_A      H    55_A     0.894     0    0.261   0.428     1.671   90.476   86.000
LGA    Q    56_A      Q    56_A     1.216     0    0.648   0.754     3.647   75.357   63.280
LGA    E    57_A      E    57_A     2.878     4    0.287   0.287     3.165   59.048   31.799
LGA    E    58_A      E    58_A     3.481     4    0.041   0.055     4.011   51.786   27.143
LGA    K    59_A      K    59_A     2.391     0    0.569   0.783     4.527   50.833   52.011
LGA    S    60_A      S    60_A     3.358     0    0.545   0.683     4.701   61.190   51.270
LGA    I    61_A      I    61_A     2.087     0    0.053   1.181     6.302   66.905   56.190
LGA    D    62_A      D    62_A     1.238     0    0.110   0.702     3.221   81.429   75.357
LGA    C    63_A      C    63_A     1.225     0    0.051   0.071     2.007   75.119   77.222
LGA    Q    64_A      Q    64_A     2.576     0    0.161   1.258     6.728   54.286   39.894
LGA    K    65_A      K    65_A     2.912     0    0.114   0.355     3.544   57.262   52.487
LGA    C    66_A      C    66_A     2.552     0    0.024   0.121     2.858   64.881   64.921
LGA    E    67_A      E    67_A     2.274     4    0.143   0.140     2.928   68.810   36.931
LGA    Y    68_A      Y    68_A     1.314     0    0.034   0.240     1.809   83.810   87.579
LGA    S    69_A      S    69_A     1.000     0    0.049   0.581     3.571   85.952   76.667
LGA    C    70_A      C    70_A     2.050     0    0.121   0.240     2.584   64.881   66.190
LGA    Q    71_A      Q    71_A     2.137     0    0.048   0.705     3.203   66.786   62.328
LGA    T    72_A      T    72_A     2.309     0    0.067   1.094     4.722   66.786   57.007
LGA    T    73_A      T    73_A     2.340     0    0.087   0.132     3.019   62.857   59.388
LGA    R    74_A      R    74_A     3.331     0    0.024   1.141     4.323   51.786   57.403
LGA    Q    75_A      Q    75_A     2.363     0    0.062   0.961     4.537   64.881   56.190
LGA    M    76_A      M    76_A     1.691     0    0.042   1.177     5.182   68.810   64.107
LGA    R    77_A      R    77_A     2.870     0    0.071   0.776     6.128   53.571   38.528
LGA    Y    78_A      Y    78_A     3.166     0    0.028   1.439     7.606   53.571   40.159
LGA    H    79_A      H    79_A     2.097     0    0.031   0.207     2.529   64.762   65.619
LGA    Y    80_A      Y    80_A     2.922     0    0.089   0.173     3.673   51.905   58.810
LGA    K    81_A      K    81_A     3.992     0    0.088   1.047     5.595   43.452   36.455
LGA    K    82_A      K    82_A     2.413     0    0.139   1.405     8.817   62.857   47.619
LGA    I    83_A      I    83_A     2.615     0    0.085   0.131     3.578   53.810   57.381
LGA    H    84_A      H    84_A     4.440     0    0.460   0.537     7.563   27.262   42.524
LGA    A    85_A      A    85_A     5.264     0    0.055   0.058     8.916   19.048   25.238
LGA    N    86_A      N    86_A    10.107     3    0.052   0.056    12.967    1.786    0.893
LGA    L    87_A      L    87_A    12.102     0    0.093   0.894    13.809    0.000    0.000
LGA    K    88_A      K    88_A    17.921     0    0.065   1.269    26.166    0.000    0.000
LGA    M    89_A      M    89_A    19.024     0    0.600   1.033    22.550    0.000    0.000
LGA    E    90_A      E    90_A    26.408     0    0.059   1.032    28.389    0.000    0.000
LGA    G    91_A      G    91_A    32.258     0    0.542   0.542    33.972    0.000    0.000
LGA    F    92_A      F    92_A    33.879     0    0.481   1.095    35.901    0.000    0.000
LGA    G    93_A      G    93_A    39.985     0    0.591   0.591    42.629    0.000    0.000
LGA    I    94_A      I    94_A    44.345     0    0.116   1.339    47.605    0.000    0.000
LGA    L    95_A      L    95_A    45.543     0    0.283   1.200    47.574    0.000    0.000
LGA    N    96_A      N    96_A    40.361     0    0.401   1.268    42.679    0.000    0.000
LGA    I    97_A      I    97_A    36.215     0    0.054   0.660    37.929    0.000    0.000
LGA    P    98_A      P    98_A    35.844     0    0.469   0.626    35.844    0.000    0.000
LGA    L    99_A      L    99_A    34.717     0    0.643   0.548    36.722    0.000    0.000
LGA    Q   100_A      Q   100_A    35.637     0    0.490   1.183    36.447    0.000    0.000
LGA    N   101_A      N   101_A    35.226     0    0.085   1.201    37.235    0.000    0.000
LGA    T   102_A      T   102_A    38.287     0    0.068   0.959    41.318    0.000    0.000
LGA    K   103_A      K   103_A    34.193     0    0.071   0.587    35.316    0.000    0.000
LGA    F   104_A      F   104_A    35.299     0    0.047   1.423    38.205    0.000    0.000
LGA    S   105_A      S   105_A    40.538     0    0.039   0.690    42.619    0.000    0.000
LGA    D   106_A      D   106_A    39.470     0    0.047   1.043    39.768    0.000    0.000
LGA    V   107_A      V   107_A    37.158     0    0.060   1.077    39.229    0.000    0.000
LGA    W   108_A      W   108_A    40.902     0    0.617   1.374    46.202    0.000    0.000
LGA    N   109_A      N   109_A    45.762     0    0.078   0.580    49.862    0.000    0.000
LGA    K   110_A      K   110_A    41.161     0    0.098   1.092    42.345    0.000    0.000
LGA    C   111_A      C   111_A    39.976     0    0.042   0.803    43.090    0.000    0.000
LGA    F   112_A      F   112_A    45.681     0    0.689   1.166    47.423    0.000    0.000
LGA    G   113_A      G   113_A    50.962     0    0.295   0.295    52.506    0.000    0.000
LGA    D   114_A      D   114_A    51.900     3    0.261   0.259    53.772    0.000    0.000
LGA    Q   115_A      Q   115_A    54.730     0    0.657   0.868    55.138    0.000    0.000
LGA    L   116_A      L   116_A    57.462     0    0.687   1.350    59.992    0.000    0.000
LGA    K   117_A      K   117_A    60.144     0    0.554   1.015    61.062    0.000    0.000
LGA    T   118_A      T   118_A    57.973     0    0.647   1.005    58.420    0.000    0.000
LGA    I   119_A      I   119_A    55.881     0    0.573   1.119    57.541    0.000    0.000
LGA    G   120_A      G   120_A    57.297     0    0.101   0.101    57.412    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      104     416    416  100.00     843    843  100.00               104
SUMMARY(RMSD_GDC):    18.627         18.550                 18.827           38.165   32.851

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0     56    2.31    42.308    39.841     2.319

LGA_LOCAL      RMSD:   2.315  Number of atoms:   56  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  24.744  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:  18.627  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.264749 * X  +  -0.600414 * Y  +   0.754593 * Z  +   4.710445
  Y_new =  -0.681047 * X  +  -0.437574 * Y  +  -0.587114 * Z  +  -9.229153
  Z_new =   0.682702 * X  +  -0.669351 * Y  +  -0.293063 * Z  + -30.321798 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.941556 -0.751455 -1.983485   [DEG: -111.2430  -43.0552 -113.6453 ]
ZXZ:  0.909581  1.868226  2.346320   [DEG:   52.1152  107.0415  134.4342 ]
 
# END of job
