
#######################################################
#                                                     #
#                        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  138 ( 1163),  selected  106 , name one
# Molecule2: number of CA atoms  106 (  891),  selected  106 , 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:    99      12_A - 110_A       4.78     8.26
  LONGEST_CONTINUOUS_SEGMENT:    99      13_A - 111_A       4.86     8.16
  LCS_AVERAGE:     89.12

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    52      15_A - 66_A        1.97     9.57
  LONGEST_CONTINUOUS_SEGMENT:    52      17_A - 68_A        1.94     9.48
  LONGEST_CONTINUOUS_SEGMENT:    52      18_A - 69_A        1.98     9.50
  LCS_AVERAGE:     36.75

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      21_A - 55_A        0.99     9.63
  LCS_AVERAGE:     18.75

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  106
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     Q    12_A     Q    12_A      5    7   99      4    5    6    7    8    8    9   11   11   11   13   14   16   17   19   22   52   59   64   68 
LCS_GDT     D    13_A     D    13_A      5    7   99      4    5    6    7    8    8    9   11   12   21   34   50   57   85   86   92   92   94   94   94 
LCS_GDT     P    14_A     P    14_A      5    7   99      4    5    6    7    8   16   37   57   67   80   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     G    15_A     G    15_A     10   52   99      4   18   32   48   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     I    16_A     I    16_A     10   52   99      4   12   26   40   61   75   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     N    17_A     N    17_A     10   52   99      4   18   32   49   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     R    18_A     R    18_A     10   52   99      7   17   32   53   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     K    19_A     K    19_A     10   52   99      7   19   41   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     A    20_A     A    20_A     10   52   99      5   23   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     I    21_A     I    21_A     35   52   99     11   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     N    22_A     N    22_A     35   52   99      6   12   34   49   66   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     F    23_A     F    23_A     35   52   99      3   23   40   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     D    24_A     D    24_A     35   52   99      3   15   40   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     L    25_A     L    25_A     35   52   99      3   15   32   53   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     S    26_A     S    26_A     35   52   99      5   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     T    27_A     T    27_A     35   52   99     11   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     K    28_A     K    28_A     35   52   99      6   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     S    29_A     S    29_A     35   52   99      6   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     L    30_A     L    30_A     35   52   99      6   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     E    31_A     E    31_A     35   52   99      6   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     K    32_A     K    32_A     35   52   99      3   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     Y    33_A     Y    33_A     35   52   99      3   18   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     F    34_A     F    34_A     35   52   99      3   22   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     K    35_A     K    35_A     35   52   99      3   22   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     D    36_A     D    36_A     35   52   99      3   17   39   51   66   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     T    37_A     T    37_A     35   52   99      5   15   36   50   66   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     R    38_A     R    38_A     35   52   99      4   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     E    39_A     E    39_A     35   52   99     10   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     P    40_A     P    40_A     35   52   99     11   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     Y    41_A     Y    41_A     35   52   99     11   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     S    42_A     S    42_A     35   52   99     11   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     L    43_A     L    43_A     35   52   99     11   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     I    44_A     I    44_A     35   52   99     10   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     K    45_A     K    45_A     35   52   99     11   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     K    46_A     K    46_A     35   52   99     11   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     F    47_A     F    47_A     35   52   99     11   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     M    48_A     M    48_A     35   52   99     11   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     L    49_A     L    49_A     35   52   99     11   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     E    50_A     E    50_A     35   52   99     11   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     N    51_A     N    51_A     35   52   99     11   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     G    52_A     G    52_A     35   52   99      8   25   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     F    53_A     F    53_A     35   52   99     11   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     E    54_A     E    54_A     35   52   99     11   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     H    55_A     H    55_A     35   52   99     11   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     R    56_A     R    56_A     34   52   99      3   23   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     Q    57_A     Q    57_A     23   52   99      3    5   22   44   66   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     Y    58_A     Y    58_A      3   52   99      4    9   23   33   47   60   78   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     S    59_A     S    59_A      3   52   99      3   11   21   31   46   58   75   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     G    60_A     G    60_A      6   52   99      7   23   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     Y    61_A     Y    61_A      6   52   99      4   23   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     T    62_A     T    62_A      6   52   99      6   23   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     S    63_A     S    63_A      6   52   99      9   23   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     K    64_A     K    64_A      6   52   99      4   12   20   50   66   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     E    65_A     E    65_A      6   52   99      8   12   25   48   63   76   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     P    66_A     P    66_A      4   52   99      3    7   28   53   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     I    67_A     I    67_A      4   52   99      3    3    6    7   11   33   48   82   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     N    68_A     N    68_A     19   52   99      6   20   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     E    69_A     E    69_A     19   52   99     10   16   21   33   56   73   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     R    70_A     R    70_A     19   33   99      4   16   24   39   61   76   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     R    71_A     R    71_A     19   33   99      7   19   41   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     V    72_A     V    72_A     19   33   99     12   16   31   48   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     I    73_A     I    73_A     19   33   99     11   16   19   37   58   75   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     R    74_A     R    74_A     19   33   99     12   16   25   48   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     I    75_A     I    75_A     19   33   99     12   20   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     I    76_A     I    76_A     19   33   99     12   16   31   48   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     N    77_A     N    77_A     19   33   99     12   16   26   48   66   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     K    78_A     K    78_A     19   33   99     12   17   41   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     L    79_A     L    79_A     19   33   99     12   22   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     T    80_A     T    80_A     19   33   99     12   16   33   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     K    81_A     K    81_A     19   33   99     12   16   41   51   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     K    82_A     K    82_A     19   33   99     12   18   41   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     F    83_A     F    83_A     19   33   99     12   20   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     T    84_A     T    84_A     19   33   99      5   18   40   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     W    85_A     W    85_A     19   33   99     12   16   30   49   63   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     L    86_A     L    86_A     19   33   99      6   15   35   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     G    87_A     G    87_A     14   33   99      6   12   26   48   63   76   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     E    88_A     E    88_A     14   33   99      6   12   31   49   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     C    89_A     C    89_A     14   33   99      6   21   40   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     V    90_A     V    90_A     14   33   99      6   20   40   53   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     K    91_A     K    91_A     14   33   99      4   11   23   36   52   70   80   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     E    92_A     E    92_A     14   33   99      3   13   28   49   66   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     F    93_A     F    93_A     14   33   99     11   26   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     D    94_A     D    94_A     14   33   99     10   23   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     I    95_A     I    95_A     14   33   99     10   23   42   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     T    96_A     T    96_A     14   33   99      7   18   35   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     E    97_A     E    97_A     14   33   99      4   18   33   54   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     I    98_A     I    98_A     14   33   99      4   18   33   51   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     G    99_A     G    99_A     10   33   99      7   15   32   50   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     E   100_A     E   100_A     10   33   99      6   13   32   52   67   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     Q   101_A     Q   101_A     10   23   99      6   10   20   40   66   77   82   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     Y   102_A     Y   102_A      4   20   99      3    4   13   27   47   62   80   86   88   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     S   103_A     S   103_A     11   16   99      3    4   10   16   29   45   57   71   85   89   90   90   91   92   92   92   93   94   95   96 
LCS_GDT     L   104_A     L   104_A     11   13   99      6   10   10   11   12   13   13   15   27   30   46   60   68   78   88   92   93   94   95   96 
LCS_GDT     K   105_A     K   105_A     11   13   99      6   10   10   11   12   15   31   41   54   67   76   88   91   92   92   92   93   94   95   96 
LCS_GDT     E   106_A     E   106_A     11   13   99      6   10   10   11   12   13   13   14   19   26   51   70   80   92   92   92   93   94   95   96 
LCS_GDT     T   107_A     T   107_A     11   13   99      6   10   10   11   12   13   13   14   15   16   19   27   37   47   58   73   79   89   95   96 
LCS_GDT     I   108_A     I   108_A     11   13   99      6   10   10   11   12   13   13   14   15   18   23   31   38   44   51   64   73   86   91   96 
LCS_GDT     Q   109_A     Q   109_A     11   13   99      6   10   10   11   12   13   13   14   15   18   26   35   43   53   65   81   88   94   95   96 
LCS_GDT     D   110_A     D   110_A     11   13   99      5   10   10   11   12   13   13   14   15   16   17   23   35   39   47   53   65   78   88   95 
LCS_GDT     L   111_A     L   111_A     11   13   99      5   10   10   11   12   13   13   14   15   16   16   18   22   25   33   44   47   51   58   64 
LCS_GDT     C   112_A     C   112_A     11   13   19      5   10   10   11   12   13   13   14   15   16   16   18   22   25   35   44   47   53   55   64 
LCS_GDT     A   113_A     A   113_A     11   13   19      5   10   10   11   12   13   13   14   15   16   16   18   22   27   33   44   47   53   57   63 
LCS_GDT     K   114_A     K   114_A      4   13   19      4    4    4   10   12   12   13   13   14   15   16   17   18   18   19   20   27   30   32   44 
LCS_GDT     D   115_A     D   115_A      4   13   19      4    4    4    4    6    7   12   13   14   15   16   17   17   18   19   20   21   21   22   23 
LCS_GDT     F   116_A     F   116_A      4    5   19      4    4    4    4    6   10   11   12   14   15   16   17   17   18   19   20   21   21   22   28 
LCS_GDT     H   117_A     H   117_A      4    5   19      4    4    4    4    6    7   11   14   15   15   16   17   18   18   19   21   27   30   35   37 
LCS_AVERAGE  LCS_A:  48.21  (  18.75   36.75   89.12 )

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     26     42     54     67     77     82     86     88     89     90     90     91     92     92     92     93     94     95     96 
GDT PERCENT_AT  11.32  24.53  39.62  50.94  63.21  72.64  77.36  81.13  83.02  83.96  84.91  84.91  85.85  86.79  86.79  86.79  87.74  88.68  89.62  90.57
GDT RMS_LOCAL    0.25   0.70   1.07   1.35   1.64   1.85   1.97   2.14   2.24   2.31   2.45   2.45   2.62   2.91   2.91   2.89   3.08   3.30   3.74   4.00
GDT RMS_ALL_AT  16.11   9.67   9.67   9.55   9.50   9.40   9.40   9.32   9.33   9.29   9.25   9.25   9.13   8.94   8.94   9.10   8.90   8.88   8.57   8.47

# Checking swapping
#   possible swapping detected:  D    24_A      D    24_A
#   possible swapping detected:  E    31_A      E    31_A
#   possible swapping detected:  F    34_A      F    34_A
#   possible swapping detected:  Y    41_A      Y    41_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  F    53_A      F    53_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  F    83_A      F    83_A
#   possible swapping detected:  E    88_A      E    88_A
#   possible swapping detected:  E    92_A      E    92_A
#   possible swapping detected:  F    93_A      F    93_A
#   possible swapping detected:  D    94_A      D    94_A
#   possible swapping detected:  D   110_A      D   110_A
#   possible swapping detected:  D   115_A      D   115_A
#   possible swapping detected:  F   116_A      F   116_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    12_A      Q    12_A    18.927     0    0.520   1.351    22.352    0.000    0.000
LGA    D    13_A      D    13_A    12.795     0    0.095   1.331    14.865    0.357    0.179
LGA    P    14_A      P    14_A     8.414     0    0.154   0.348    11.332   14.524    8.503
LGA    G    15_A      G    15_A     2.612     0    0.201   0.201     4.754   56.548   56.548
LGA    I    16_A      I    16_A     3.374     0    0.103   1.140     8.514   46.786   33.571
LGA    N    17_A      N    17_A     2.105     0    0.045   1.097     3.701   66.786   63.155
LGA    R    18_A      R    18_A     1.585     0    0.095   1.246     5.749   68.929   53.160
LGA    K    19_A      K    19_A     0.892     0    0.105   1.271     4.236   92.976   74.392
LGA    A    20_A      A    20_A     1.079     0    0.040   0.048     1.496   85.952   85.048
LGA    I    21_A      I    21_A     2.112     0    0.175   0.649     3.715   59.524   56.667
LGA    N    22_A      N    22_A     2.665     0    0.119   1.108     4.281   62.857   58.452
LGA    F    23_A      F    23_A     1.913     0    0.054   0.117     4.185   64.881   55.671
LGA    D    24_A      D    24_A     1.845     0    0.660   0.852     4.516   68.929   55.595
LGA    L    25_A      L    25_A     2.047     0    0.225   0.965     4.335   55.952   63.214
LGA    S    26_A      S    26_A     1.592     0    0.161   0.489     2.577   79.286   74.524
LGA    T    27_A      T    27_A     2.059     0    0.079   0.172     3.104   70.833   63.946
LGA    K    28_A      K    28_A     1.256     0    0.070   1.061     4.872   79.286   68.836
LGA    S    29_A      S    29_A     0.920     0    0.034   0.628     2.969   85.952   81.905
LGA    L    30_A      L    30_A     1.741     0    0.066   1.045     4.441   70.952   65.417
LGA    E    31_A      E    31_A     2.270     0    0.115   0.211     2.770   64.762   63.069
LGA    K    32_A      K    32_A     2.104     0    0.081   0.243     2.839   64.762   63.915
LGA    Y    33_A      Y    33_A     1.987     0    0.066   0.519     2.770   72.857   66.190
LGA    F    34_A      F    34_A     1.430     0    0.166   0.782     5.514   75.000   57.316
LGA    K    35_A      K    35_A     1.991     0    0.091   0.676     7.288   68.810   47.354
LGA    D    36_A      D    36_A     2.925     0    0.268   0.868     3.375   57.143   61.250
LGA    T    37_A      T    37_A     3.132     0    0.172   0.183     4.537   59.167   50.680
LGA    R    38_A      R    38_A     1.859     0    0.086   1.873    12.024   75.119   41.082
LGA    E    39_A      E    39_A     1.134     0    0.021   1.071     4.960   83.690   62.910
LGA    P    40_A      P    40_A     1.138     0    0.055   0.292     1.679   85.952   84.082
LGA    Y    41_A      Y    41_A     0.825     0    0.055   0.202     1.812   90.476   81.587
LGA    S    42_A      S    42_A     0.902     0    0.024   0.621     2.522   90.476   84.921
LGA    L    43_A      L    43_A     0.892     0    0.031   0.185     1.538   90.476   86.012
LGA    I    44_A      I    44_A     0.780     0    0.027   0.099     1.613   90.476   87.143
LGA    K    45_A      K    45_A     0.803     0    0.046   1.116     5.928   88.214   70.159
LGA    K    46_A      K    46_A     0.853     0    0.036   0.580     3.459   85.952   81.958
LGA    F    47_A      F    47_A     1.407     0    0.052   1.437     7.805   77.143   50.173
LGA    M    48_A      M    48_A     1.616     0    0.030   0.696     1.876   72.857   73.929
LGA    L    49_A      L    49_A     1.676     0    0.024   0.469     1.935   72.857   73.929
LGA    E    50_A      E    50_A     2.097     0    0.058   0.209     2.412   66.786   68.360
LGA    N    51_A      N    51_A     2.173     0    0.408   0.540     3.776   57.500   65.298
LGA    G    52_A      G    52_A     2.092     0    0.733   0.733     4.308   57.857   57.857
LGA    F    53_A      F    53_A     1.594     0    0.329   1.396     3.826   71.071   66.061
LGA    E    54_A      E    54_A     1.607     0    0.032   0.251     2.081   77.143   73.862
LGA    H    55_A      H    55_A     1.230     0    0.171   1.278     5.892   81.429   59.238
LGA    R    56_A      R    56_A     1.891     0    0.598   1.397     6.231   71.071   58.052
LGA    Q    57_A      Q    57_A     2.948     0    0.707   1.323     6.481   44.048   42.593
LGA    Y    58_A      Y    58_A     4.578     0    0.531   1.289     9.750   37.262   21.984
LGA    S    59_A      S    59_A     4.714     0    0.521   0.571     6.246   33.095   29.286
LGA    G    60_A      G    60_A     0.530     0    0.549   0.549     1.657   86.190   86.190
LGA    Y    61_A      Y    61_A     0.631     0    0.099   0.138     1.843   92.857   83.849
LGA    T    62_A      T    62_A     1.301     0    0.093   1.180     2.889   81.429   75.578
LGA    S    63_A      S    63_A     0.794     0    0.089   0.613     3.371   77.738   72.302
LGA    K    64_A      K    64_A     2.989     0    0.560   0.559     7.298   59.286   40.582
LGA    E    65_A      E    65_A     3.405     0    0.422   0.976     7.006   46.786   30.899
LGA    P    66_A      P    66_A     2.501     0    0.054   0.374     3.703   51.905   57.483
LGA    I    67_A      I    67_A     5.177     0    0.322   1.246    11.595   44.524   23.512
LGA    N    68_A      N    68_A     1.284     0    0.306   1.292     4.217   73.095   60.833
LGA    E    69_A      E    69_A     3.545     0    0.140   0.897     4.312   48.452   44.233
LGA    R    70_A      R    70_A     3.063     0    0.064   1.800    12.361   59.167   29.610
LGA    R    71_A      R    71_A     0.990     0    0.100   1.285     7.192   83.810   60.173
LGA    V    72_A      V    72_A     2.191     0    0.042   0.104     3.943   66.786   58.639
LGA    I    73_A      I    73_A     3.265     0    0.127   1.463     7.404   51.786   43.333
LGA    R    74_A      R    74_A     2.644     0    0.053   1.541     9.178   62.976   38.182
LGA    I    75_A      I    75_A     0.236     0    0.061   1.359     3.265   95.238   83.393
LGA    I    76_A      I    76_A     2.134     0    0.048   1.227     3.185   66.786   62.024
LGA    N    77_A      N    77_A     2.914     0    0.054   1.376     8.018   62.857   42.262
LGA    K    78_A      K    78_A     1.772     0    0.042   0.669     6.962   77.143   52.963
LGA    L    79_A      L    79_A     0.668     0    0.055   0.840     2.463   92.857   85.119
LGA    T    80_A      T    80_A     1.784     0    0.073   1.169     5.007   75.000   64.014
LGA    K    81_A      K    81_A     2.378     0    0.061   0.305     4.768   68.810   54.180
LGA    K    82_A      K    82_A     1.489     0    0.036   0.589     2.763   81.429   74.021
LGA    F    83_A      F    83_A     0.733     0    0.141   0.966     3.724   90.476   77.056
LGA    T    84_A      T    84_A     2.164     0    0.156   1.046     4.662   67.024   61.565
LGA    W    85_A      W    85_A     2.953     0    0.162   1.181     7.436   59.048   40.068
LGA    L    86_A      L    86_A     2.029     0    0.032   1.319     4.289   66.786   57.798
LGA    G    87_A      G    87_A     3.256     0    0.033   0.033     3.262   51.786   51.786
LGA    E    88_A      E    88_A     2.630     0    0.059   0.954     6.017   60.952   47.937
LGA    C    89_A      C    89_A     1.400     0    0.051   0.742     3.418   72.976   72.063
LGA    V    90_A      V    90_A     2.180     0    0.206   1.129     4.397   54.167   52.653
LGA    K    91_A      K    91_A     4.440     0    0.079   0.611     4.898   37.262   37.937
LGA    E    92_A      E    92_A     3.068     0    0.193   0.999     3.881   55.714   57.460
LGA    F    93_A      F    93_A     1.592     0    0.148   0.993     4.975   79.643   61.515
LGA    D    94_A      D    94_A     0.717     0    0.110   0.993     3.333   92.857   81.071
LGA    I    95_A      I    95_A     0.693     0    0.108   0.630     2.696   92.857   86.369
LGA    T    96_A      T    96_A     1.413     0    0.101   1.199     3.324   85.952   77.075
LGA    E    97_A      E    97_A     1.637     0    0.031   0.920     3.136   72.857   67.831
LGA    I    98_A      I    98_A     2.090     0    0.053   1.161     3.502   68.810   61.310
LGA    G    99_A      G    99_A     2.007     0    0.059   0.059     2.007   70.833   70.833
LGA    E   100_A      E   100_A     1.898     0    0.194   0.644     4.123   57.976   50.635
LGA    Q   101_A      Q   101_A     2.801     0    0.129   1.041     6.306   62.976   45.026
LGA    Y   102_A      Y   102_A     4.158     0    0.092   1.588    11.272   34.524   19.325
LGA    S   103_A      S   103_A     6.056     0    0.070   0.064     9.165   12.381   14.048
LGA    L   104_A      L   104_A    10.903     0    0.123   0.161    14.920    0.714    0.357
LGA    K   105_A      K   105_A     9.500     0    0.080   1.130    12.002    0.476    3.016
LGA    E   106_A      E   106_A    13.120     0    0.063   1.385    15.979    0.000    0.000
LGA    T   107_A      T   107_A    15.575     0    0.060   0.102    18.134    0.000    0.000
LGA    I   108_A      I   108_A    16.300     0    0.039   0.141    18.649    0.000    0.000
LGA    Q   109_A      Q   109_A    17.481     0    0.042   0.594    20.724    0.000    0.000
LGA    D   110_A      D   110_A    20.418     0    0.013   0.236    23.377    0.000    0.000
LGA    L   111_A      L   111_A    22.404     0    0.060   1.414    25.428    0.000    0.000
LGA    C   112_A      C   112_A    24.112     0    0.413   0.434    26.799    0.000    0.000
LGA    A   113_A      A   113_A    26.614     0    0.179   0.192    30.457    0.000    0.000
LGA    K   114_A      K   114_A    29.344     0    0.467   0.855    33.886    0.000    0.000
LGA    D   115_A      D   115_A    35.664     0    0.148   1.135    38.832    0.000    0.000
LGA    F   116_A      F   116_A    36.187     0    0.623   1.473    39.196    0.000    0.000
LGA    H   117_A      H   117_A    36.057     0    0.183   0.433    37.649    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      106     424    424  100.00     891    891  100.00               106
SUMMARY(RMSD_GDC):     7.641          7.703                  8.214           58.026   50.633

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  138  106    4.0     86    2.14    60.849    59.642     3.846

LGA_LOCAL      RMSD:   2.136  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   9.325  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   7.641  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.971106 * X  +   0.062342 * Y  +   0.230361 * Z  +  22.811342
  Y_new =  -0.107769 * X  +   0.746690 * Y  +  -0.656383 * Z  + -37.097965
  Z_new =  -0.212929 * X  +  -0.662244 * Y  +  -0.718397 * Z  + -19.087803 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.031069  0.214571 -2.396844   [DEG: -173.6675   12.2940 -137.3291 ]
ZXZ:  0.337526  2.372292 -2.830506   [DEG:   19.3388  135.9223 -162.1760 ]
 
# END of job
