
#######################################################
#                                                     #
#                        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  107 (  796),  selected  107 , name one
# Molecule2: number of CA atoms  112 (  831),  selected  107 , 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:   107       7_A - 113_A       3.97     3.97
  LCS_AVERAGE:     95.54

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27      10_A - 36_A        1.91     4.76
  LONGEST_CONTINUOUS_SEGMENT:    27      11_A - 37_A        1.99     4.73
  LCS_AVERAGE:     15.15

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14      17_A - 30_A        1.00     5.93
  LONGEST_CONTINUOUS_SEGMENT:    14      18_A - 31_A        0.98     5.54
  LCS_AVERAGE:      7.94

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  107
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     P     7_A     P     7_A      7    8  107      5    6    7    7    8    8    9   11   12   22   30   50   57   80   89   93  102  105  106  107 
LCS_GDT     L     8_A     L     8_A      7    8  107      5    6    7    7    8    9   10   19   24   34   63   70   86   97  103  104  105  106  106  107 
LCS_GDT     K     9_A     K     9_A      7    8  107      5    6    7    9   21   34   48   62   77   90   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     V    10_A     V    10_A      7   27  107      5    6   12   31   48   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     T    11_A     T    11_A      7   27  107      5   14   20   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     H    12_A     H    12_A     10   27  107      6   19   22   31   43   54   67   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     T    13_A     T    13_A     10   27  107      5   10   24   35   46   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     T    14_A     T    14_A     10   27  107      5   10   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     L    15_A     L    15_A     10   27  107      5   10   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     C    16_A     C    16_A     10   27  107      5   10   22   34   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     W    17_A     W    17_A     14   27  107      3   10   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     G    18_A     G    18_A     14   27  107      3    8   18   33   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     S    19_A     S    19_A     14   27  107      5   12   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     T    20_A     T    20_A     14   27  107      5   19   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     K    21_A     K    21_A     14   27  107      9   19   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     L    22_A     L    22_A     14   27  107      9   19   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     R    23_A     R    23_A     14   27  107      9   19   24   35   46   54   69   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     T    24_A     T    24_A     14   27  107      9   19   25   35   46   61   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     D    25_A     D    25_A     14   27  107      3   19   25   36   46   61   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     V    26_A     V    26_A     14   27  107      4   19   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     R    27_A     R    27_A     14   27  107      9   19   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     K    28_A     K    28_A     14   27  107      9   19   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     S    29_A     S    29_A     14   27  107      5   19   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     M    30_A     M    30_A     14   27  107      7   15   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     Q    31_A     Q    31_A     14   27  107      7   15   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     V    32_A     V    32_A     11   27  107      4   11   25   34   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     K    33_A     K    33_A     10   27  107      4   11   25   34   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     N    34_A     N    34_A      9   27  107      3    9   15   26   44   60   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     T    35_A     T    35_A      8   27  107      3    6   22   34   42   58   75   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     A    36_A     A    36_A      4   27  107      4   14   25   35   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     D    37_A     D    37_A      3   27  107      3    3    8   25   41   56   72   82   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     K    38_A     K    38_A      9   26  107      3    6   15   29   48   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     R    39_A     R    39_A      9   26  107      5    9   11   26   45   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     L    40_A     L    40_A      9   17  107      5    9   11   20   35   57   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     V    41_A     V    41_A      9   17  107      5    9   11   26   39   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     I    42_A     I    42_A      9   17  107      5    9   11   26   37   55   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     R    43_A     R    43_A      9   17  107      4    9   12   26   39   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     L    44_A     L    44_A      9   17  107      4    9   13   26   39   57   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     G    45_A     G    45_A      9   17  107      4    9   11   26   38   60   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     I    46_A     I    46_A      9   17  107      4    9   11   24   37   60   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     Q    47_A     Q    47_A      7   16  107      3    5   10   32   43   57   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     G    48_A     G    48_A      6   16  107      3   12   19   23   27   39   48   64   80   89   95   98  100  102  103  104  105  106  106  107 
LCS_GDT     P    49_A     P    49_A      6   16  107      3    5    8   14   19   28   43   54   69   80   91   96   99  101  103  104  105  106  106  107 
LCS_GDT     G    50_A     G    50_A      5   16  107      3    4    6   14   24   39   58   73   86   91   95   99  101  102  103  104  105  106  106  107 
LCS_GDT     F    51_A     F    51_A      5   13  107      3    4   10   32   46   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     Q    52_A     Q    52_A      3   11  107      3    4   13   31   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     L    53_A     L    53_A      4   11  107      3    4   14   31   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     V    54_A     V    54_A      4    6  107      3    9   22   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     G    55_A     G    55_A      4    6  107      3    6   25   34   46   61   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     T    56_A     T    56_A      4    6  107      3    5   10   20   33   39   59   72   83   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     D    57_A     D    57_A      3    6  107      3    3    4    5    6   12   17   34   67   85   94   99  101  102  103  104  105  106  106  107 
LCS_GDT     S    58_A     S    58_A      4    6  107      3    4   10   19   32   43   59   76   84   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     S    59_A     S    59_A      4    6  107      3    8   12   16   25   34   42   59   78   87   95   99  101  102  103  104  105  106  106  107 
LCS_GDT     T    60_A     T    60_A      4    6  107      5    7   15   27   48   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     I    61_A     I    61_A      4    8  107      3    4    7   14   31   45   60   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     T    62_A     T    62_A      5    8  107      3    5    6   12   31   48   63   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     L    63_A     L    63_A      5   16  107      3    5   11   17   35   62   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     Q    64_A     Q    64_A     11   17  107      3    9   19   26   43   61   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     A    65_A     A    65_A     11   17  107      3    5   11   19   26   36   51   69   86   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     M    66_A     M    66_A     13   17  107      6   14   23   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     E    67_A     E    67_A     13   17  107      4   14   23   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     C    68_A     C    68_A     13   17  107      4   14   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     R    69_A     R    69_A     13   17  107      6   14   21   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     S    70_A     S    70_A     13   17  107      7   14   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     V    71_A     V    71_A     13   17  107      7   14   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     V    72_A     V    72_A     13   17  107      5   15   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     I    73_A     I    73_A     13   17  107      7   15   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     N    74_A     N    74_A     13   17  107      7   17   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     F    75_A     F    75_A     13   17  107      9   19   24   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     C    76_A     C    76_A     13   17  107      9   19   23   35   46   61   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     P    77_A     P    77_A     13   17  107      6   19   22   33   48   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     T    78_A     T    78_A     13   17  107      3    7   20   34   43   52   68   82   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     V    79_A     V    79_A      3   17  107      3    4    4    6   16   24   38   45   57   71   84   91   97  100  103  104  105  106  106  107 
LCS_GDT     C    80_A     C    80_A      4   17  107      0    4    4    5    6   22   32   43   56   71   82   91   97  100  103  104  105  106  106  107 
LCS_GDT     G    81_A     G    81_A      4    6  107      3    6   21   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     A    82_A     A    82_A      4    6  107      3    4    4    7   16   39   61   77   86   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     A    83_A     A    83_A      8   13  107      6   19   21   26   38   57   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     I    84_A     I    84_A      8   13  107      6   14   23   33   46   61   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     G    85_A     G    85_A      8   13  107      6   14   23   35   47   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     A    86_A     A    86_A      8   13  107      6   15   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     L    87_A     L    87_A      8   13  107      5    9   19   35   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     S    88_A     S    88_A      8   13  107      5    9   19   35   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     F    89_A     F    89_A      8   13  107      3    8   14   26   44   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     Y    90_A     Y    90_A      8   13  107      3    7   15   27   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     A    91_A     A    91_A      8   13  107      3    7   13   20   32   53   69   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     P    92_A     P    92_A      7   13  107      3    6   12   26   43   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     P    93_A     P    93_A      7   13  107      3    5   11   17   45   61   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     G    94_A     G    94_A      7   13  107      5    8   15   32   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     A    95_A     A    95_A      4   13  107      6    8   15   31   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     H    96_A     H    96_A      4    5  107      3    3    4    4    4   41   56   74   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     N    97_A     N    97_A      4    8  107      5   10   19   26   30   44   57   71   84   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     S    98_A     S    98_A      4   13  107      3   14   19   26   29   44   65   75   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     N    99_A     N    99_A      4   13  107      3    4   19   26   30   39   48   62   76   86   94   99  101  102  103  104  105  106  106  107 
LCS_GDT     Q   100_A     Q   100_A      4   13  107      3    4    5    9   12   22   40   57   74   86   93   99  101  102  103  104  105  106  106  107 
LCS_GDT     P   101_A     P   101_A     11   13  107      4    9   16   33   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     G   102_A     G   102_A     11   13  107      5    9   22   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     L   103_A     L   103_A     11   13  107      6   10   20   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     E   104_A     E   104_A     11   13  107      6   12   23   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     I   105_A     I   105_A     11   13  107      5   12   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     P   106_A     P   106_A     11   13  107      5   12   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     L   107_A     L   107_A     11   13  107      5   15   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     Y   108_A     Y   108_A     11   13  107      4   15   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     G   109_A     G   109_A     11   13  107      5   19   23   33   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     Y   110_A     Y   110_A     11   13  107      6   19   22   32   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     G   111_A     G   111_A     11   13  107      6   19   25   36   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     G   112_A     G   112_A      6   13  107      9   19   25   35   50   63   76   83   87   91   96   99  101  102  103  104  105  106  106  107 
LCS_GDT     S   113_A     S   113_A      3   13  107      3    3    5    5   12   32   50   77   86   91   96   99  101  102  103  104  105  106  106  107 
LCS_AVERAGE  LCS_A:  39.54  (   7.94   15.15   95.54 )

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     19     25     36     50     63     76     83     87     91     96     99    101    102    103    104    105    106    106    107 
GDT PERCENT_AT   8.04  16.96  22.32  32.14  44.64  56.25  67.86  74.11  77.68  81.25  85.71  88.39  90.18  91.07  91.96  92.86  93.75  94.64  94.64  95.54
GDT RMS_LOCAL    0.39   0.65   1.11   1.46   1.84   2.17   2.48   2.60   2.70   2.87   3.11   3.26   3.39   3.45   3.54   3.62   3.71   3.81   3.81   3.97
GDT RMS_ALL_AT   8.90   8.83   5.07   4.63   4.23   4.07   4.06   4.09   4.09   4.04   4.01   4.00   3.98   3.98   3.99   3.98   3.98   3.98   3.98   3.97

# Checking swapping
#   possible swapping detected:  D    37_A      D    37_A
#   possible swapping detected:  F    51_A      F    51_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  Y    90_A      Y    90_A
#   possible swapping detected:  Y   108_A      Y   108_A
#   possible swapping detected:  Y   110_A      Y   110_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     7_A      P     7_A    13.457     0    0.528   0.781    17.397    0.000    0.000
LGA    L     8_A      L     8_A    10.309     0    0.025   0.833    11.710    1.905    0.952
LGA    K     9_A      K     9_A     6.464     0    0.039   0.402     9.781   16.905   10.688
LGA    V    10_A      V    10_A     2.880     0    0.060   0.282     4.000   59.524   56.531
LGA    T    11_A      T    11_A     1.983     0    0.031   1.136     3.681   65.595   61.020
LGA    H    12_A      H    12_A     3.626     0    0.662   1.603    10.514   55.595   28.333
LGA    T    13_A      T    13_A     2.850     0    0.092   0.420     4.556   61.190   51.905
LGA    T    14_A      T    14_A     1.461     0    0.095   0.125     2.846   79.286   71.973
LGA    L    15_A      L    15_A     1.162     0    0.091   0.197     2.242   75.119   83.988
LGA    C    16_A      C    16_A     2.362     0    0.034   0.177     3.828   70.833   62.778
LGA    W    17_A      W    17_A     1.481     0    0.664   0.538     3.279   69.286   76.871
LGA    G    18_A      G    18_A     2.592     0    0.108   0.108     2.592   62.857   62.857
LGA    S    19_A      S    19_A     2.437     0    0.059   0.106     3.231   66.786   62.381
LGA    T    20_A      T    20_A     2.229     0    0.034   0.099     3.265   59.167   61.633
LGA    K    21_A      K    21_A     2.676     0    0.037   1.254     3.493   59.048   65.132
LGA    L    22_A      L    22_A     2.669     0    0.076   1.348     5.160   51.905   45.655
LGA    R    23_A      R    23_A     4.223     0    0.147   1.046     6.522   35.952   32.165
LGA    T    24_A      T    24_A     3.371     0    0.037   1.296     3.828   53.571   50.136
LGA    D    25_A      D    25_A     3.051     0    0.113   0.740     5.841   57.381   45.357
LGA    V    26_A      V    26_A     1.822     0    0.027   1.202     3.763   68.810   66.395
LGA    R    27_A      R    27_A     2.034     0    0.105   1.106     8.142   70.833   46.147
LGA    K    28_A      K    28_A     1.686     0    0.038   1.204     4.281   72.857   73.069
LGA    S    29_A      S    29_A     2.030     0    0.052   0.189     2.380   66.786   66.111
LGA    M    30_A      M    30_A     2.160     0    0.039   1.119     6.501   68.810   52.560
LGA    Q    31_A      Q    31_A     1.892     0    0.094   0.968     3.383   68.929   61.640
LGA    V    32_A      V    32_A     2.253     0    0.033   0.987     3.275   70.952   66.190
LGA    K    33_A      K    33_A     2.561     0    0.029   1.308     6.974   51.905   37.989
LGA    N    34_A      N    34_A     3.793     0    0.040   0.132     7.977   59.881   40.714
LGA    T    35_A      T    35_A     3.470     0    0.604   1.300     6.768   59.881   42.245
LGA    A    36_A      A    36_A     2.280     0    0.046   0.052     5.441   47.738   45.619
LGA    D    37_A      D    37_A     4.374     0    0.646   0.890     8.837   43.690   25.833
LGA    K    38_A      K    38_A     3.012     0    0.195   0.936    13.804   50.119   28.042
LGA    R    39_A      R    39_A     2.644     0    0.212   1.221     6.731   59.048   40.563
LGA    L    40_A      L    40_A     3.250     0    0.066   0.975     6.786   55.357   44.821
LGA    V    41_A      V    41_A     3.003     0    0.051   0.093     3.457   50.000   53.061
LGA    I    42_A      I    42_A     3.523     0    0.060   0.656     6.710   48.333   39.821
LGA    R    43_A      R    43_A     3.127     0    0.030   1.430     3.440   50.000   56.277
LGA    L    44_A      L    44_A     3.178     0    0.033   1.235     6.382   50.000   44.226
LGA    G    45_A      G    45_A     3.228     0    0.054   0.054     3.230   50.000   50.000
LGA    I    46_A      I    46_A     3.583     0    0.111   1.460     6.270   43.452   39.345
LGA    Q    47_A      Q    47_A     4.449     0    0.135   0.937     5.568   34.524   35.291
LGA    G    48_A      G    48_A     7.304     0    0.580   0.580     9.344    8.333    8.333
LGA    P    49_A      P    49_A     8.856     0    0.288   0.607    11.449    8.690    5.034
LGA    G    50_A      G    50_A     6.113     0    0.249   0.249     7.584   16.905   16.905
LGA    F    51_A      F    51_A     2.671     0    0.060   1.283     7.406   70.357   40.519
LGA    Q    52_A      Q    52_A     2.418     0    0.260   1.083     8.009   73.214   41.005
LGA    L    53_A      L    53_A     2.584     0    0.293   1.329     6.305   55.595   43.929
LGA    V    54_A      V    54_A     1.773     0    0.119   1.053     3.640   68.929   60.884
LGA    G    55_A      G    55_A     3.059     0    0.582   0.582     3.524   54.048   54.048
LGA    T    56_A      T    56_A     6.437     0    0.298   1.022    10.869   16.667   10.408
LGA    D    57_A      D    57_A     7.025     0    0.590   1.033     9.812   17.500   10.774
LGA    S    58_A      S    58_A     5.751     0    0.091   0.687     6.195   19.286   20.794
LGA    S    59_A      S    59_A     6.703     0    0.124   0.368     7.982   18.452   14.683
LGA    T    60_A      T    60_A     2.639     0    0.645   1.278     4.720   45.476   57.279
LGA    I    61_A      I    61_A     3.965     0    0.209   1.119     6.463   48.452   35.595
LGA    T    62_A      T    62_A     3.618     0    0.191   0.201     4.232   41.786   42.449
LGA    L    63_A      L    63_A     3.137     0    0.293   1.137     6.021   51.786   40.000
LGA    Q    64_A      Q    64_A     3.765     0    0.084   1.106     7.358   50.357   34.180
LGA    A    65_A      A    65_A     5.481     0    0.631   0.584     6.864   26.548   23.905
LGA    M    66_A      M    66_A     2.710     0    0.232   1.107     6.971   55.357   45.655
LGA    E    67_A      E    67_A     2.754     0    0.200   0.929     3.075   65.119   61.693
LGA    C    68_A      C    68_A     2.688     0    0.041   0.733     6.526   51.905   45.159
LGA    R    69_A      R    69_A     2.388     0    0.109   1.243     7.552   70.833   47.186
LGA    S    70_A      S    70_A     2.071     0    0.051   0.070     2.817   62.857   60.952
LGA    V    71_A      V    71_A     1.943     0    0.091   1.038     4.051   72.857   69.116
LGA    V    72_A      V    72_A     1.543     0    0.039   0.128     2.046   70.833   76.667
LGA    I    73_A      I    73_A     2.033     0    0.049   0.783     3.514   68.810   64.107
LGA    N    74_A      N    74_A     2.090     0    0.035   1.152     3.902   62.857   63.155
LGA    F    75_A      F    75_A     2.423     0    0.064   0.856     2.893   62.857   65.714
LGA    C    76_A      C    76_A     3.287     0    0.091   0.779     4.187   48.571   50.714
LGA    P    77_A      P    77_A     2.606     0    0.091   0.137     2.901   59.048   67.415
LGA    T    78_A      T    78_A     4.380     0    0.114   1.134     6.584   28.810   32.177
LGA    V    79_A      V    79_A     8.428     0    0.673   1.413    12.309    8.214    4.898
LGA    C    80_A      C    80_A     8.473     0    0.180   0.253    12.320   10.476    6.984
LGA    G    81_A      G    81_A     2.563     0    0.676   0.676     4.492   56.071   56.071
LGA    A    82_A      A    82_A     4.788     0    0.185   0.183     7.341   30.714   26.571
LGA    A    83_A      A    83_A     4.374     0    0.630   0.565     5.931   39.405   35.810
LGA    I    84_A      I    84_A     3.080     0    0.051   1.223     3.477   53.571   52.679
LGA    G    85_A      G    85_A     2.422     0    0.053   0.053     2.633   66.905   66.905
LGA    A    86_A      A    86_A     1.251     0    0.067   0.094     1.804   81.548   81.524
LGA    L    87_A      L    87_A     1.473     0    0.133   1.334     5.916   79.286   60.000
LGA    S    88_A      S    88_A     1.399     0    0.094   0.159     1.823   77.143   78.571
LGA    F    89_A      F    89_A     2.789     0    0.234   0.611     6.569   55.595   39.048
LGA    Y    90_A      Y    90_A     2.326     0    0.172   1.131     9.558   59.167   37.817
LGA    A    91_A      A    91_A     4.272     0    0.210   0.270     5.957   48.690   43.238
LGA    P    92_A      P    92_A     3.044     0    0.134   0.304     7.164   52.024   37.959
LGA    P    93_A      P    93_A     2.997     0    0.612   0.603     5.826   57.262   44.014
LGA    G    94_A      G    94_A     1.982     0    0.633   0.633     3.678   63.452   63.452
LGA    A    95_A      A    95_A     2.971     0    0.472   0.464     4.197   53.571   50.286
LGA    H    96_A      H    96_A     5.373     0    0.623   1.322    11.453   28.929   13.095
LGA    N    97_A      N    97_A     7.084     0    0.578   1.004    12.565   14.405    7.381
LGA    S    98_A      S    98_A     6.129     0    0.022   0.626     8.206   11.310   18.333
LGA    N    99_A      N    99_A     8.333     0    0.265   1.045     8.780    6.071    6.786
LGA    Q   100_A      Q   100_A     8.576     0    0.255   1.046    15.620    8.571    3.810
LGA    P   101_A      P   101_A     3.115     0    0.196   0.268     5.845   35.238   36.939
LGA    G   102_A      G   102_A     1.824     0    0.318   0.318     2.331   70.833   70.833
LGA    L   103_A      L   103_A     2.201     0    0.027   0.094     3.681   70.952   60.536
LGA    E   104_A      E   104_A     1.224     0    0.027   0.944     3.434   77.143   67.937
LGA    I   105_A      I   105_A     0.994     0    0.055   0.633     2.174   85.952   82.738
LGA    P   106_A      P   106_A     0.682     0    0.126   0.138     0.769   90.476   91.837
LGA    L   107_A      L   107_A     0.347     0    0.242   1.266     3.227   95.357   85.655
LGA    Y   108_A      Y   108_A     0.833     0    0.091   1.409     9.664   90.476   54.365
LGA    G   109_A      G   109_A     1.709     0    0.241   0.241     2.791   69.048   69.048
LGA    Y   110_A      Y   110_A     2.041     0    0.149   0.462     6.049   75.119   47.540
LGA    G   111_A      G   111_A     0.487     0    0.078   0.078     1.189   88.333   88.333
LGA    G   112_A      G   112_A     1.855     0    0.202   0.202     3.916   63.690   63.690
LGA    S   113_A      S   113_A     5.699     0    0.135   0.667     9.189   32.024   22.381

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      107     428    428  100.00     796    796  100.00               112
SUMMARY(RMSD_GDC):     3.973          3.882                  4.767           50.214   44.409

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  112    4.0     83    2.60    54.018    48.292     3.072

LGA_LOCAL      RMSD:   2.602  Number of atoms:   83  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.089  Number of assigned atoms:  107 
Std_ASGN_ATOMS RMSD:   3.973  Standard rmsd on all 107 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.612835 * X  +  -0.488561 * Y  +   0.621081 * Z  + -17.848120
  Y_new =  -0.739337 * X  +  -0.077046 * Y  +   0.668914 * Z  + -55.379230
  Z_new =  -0.278954 * X  +  -0.869121 * Y  +  -0.408428 * Z  +  15.783616 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.878681  0.282704 -2.010101   [DEG:  -50.3447   16.1978 -115.1703 ]
ZXZ:  2.393257  1.991527 -2.831019   [DEG:  137.1235  114.1061 -162.2054 ]
 
# END of job
