
#######################################################
#                                                     #
#                        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  113 (  835),  selected  112 , name one
# Molecule2: number of CA atoms  112 (  831),  selected  112 , 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:   110       4_A - 113_A       4.80     5.59
  LCS_AVERAGE:     96.78

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      11_A - 36_A        2.00     6.58
  LONGEST_CONTINUOUS_SEGMENT:    26      14_A - 39_A        1.99     5.90
  LCS_AVERAGE:     16.76

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15      66_A - 80_A        1.00     8.18
  LCS_AVERAGE:      9.17

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  112
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     2_A     P     2_A      3    4   20      3    3    3    3    4    5    5    7    7    7    9   11   11   13   14   19   45   47   55   76 
LCS_GDT     M     3_A     M     3_A      3    7   20      3    3    3    3    5    8    9   11   14   17   20   27   28   30   34   43   63   70   80   94 
LCS_GDT     G     4_A     G     4_A      4    8  110      3    4    5    7    8   10   13   14   14   20   22   27   28   28   34   43   45   60   68   71 
LCS_GDT     L     5_A     L     5_A      4    8  110      3    4    5    7    7    9   13   14   17   28   31   34   47   51   65   74   78   87   93   99 
LCS_GDT     L     6_A     L     6_A      6    8  110      3    4    7    7    9   10   13   17   25   35   43   46   53   59   66   75   89  101  106  108 
LCS_GDT     P     7_A     P     7_A      7    8  110      5    6    7    7    9   10   22   29   35   48   53   64   81   98  104  107  107  107  107  108 
LCS_GDT     L     8_A     L     8_A      7    8  110      5    6    7    7   14   20   24   38   48   59   73   89  100  105  106  107  107  107  107  108 
LCS_GDT     K     9_A     K     9_A      7    8  110      5    6    7    7   18   34   51   62   84   96  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     V    10_A     V    10_A      7   24  110      5    6   15   31   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     T    11_A     T    11_A      7   26  110      5   16   24   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     H    12_A     H    12_A     10   26  110      9   20   24   33   42   53   72   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     T    13_A     T    13_A     10   26  110      5    9   24   35   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     T    14_A     T    14_A     10   26  110      5    9   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     L    15_A     L    15_A     10   26  110      4    9   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     C    16_A     C    16_A     10   26  110      5    9   22   33   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     W    17_A     W    17_A     14   26  110      5   11   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     G    18_A     G    18_A     14   26  110      3    9   20   33   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     S    19_A     S    19_A     14   26  110      3   13   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     T    20_A     T    20_A     14   26  110      5   20   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     K    21_A     K    21_A     14   26  110     11   20   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     L    22_A     L    22_A     14   26  110     11   20   28   41   48   61   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     R    23_A     R    23_A     14   26  110      8   20   24   41   48   57   66   86   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     T    24_A     T    24_A     14   26  110     11   20   28   41   48   59   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     D    25_A     D    25_A     14   26  110     11   20   27   41   48   60   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     V    26_A     V    26_A     14   26  110     11   20   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     R    27_A     R    27_A     14   26  110     11   20   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     K    28_A     K    28_A     14   26  110     11   20   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     S    29_A     S    29_A     14   26  110      6   20   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     M    30_A     M    30_A     14   26  110      5   18   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     Q    31_A     Q    31_A     14   26  110      5   18   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     V    32_A     V    32_A     11   26  110      4   11   23   37   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     K    33_A     K    33_A      9   26  110      4   10   18   34   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     N    34_A     N    34_A      9   26  110      4    8   15   27   42   59   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     T    35_A     T    35_A     13   26  110      4    9   17   31   43   58   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     A    36_A     A    36_A     13   26  110      4   10   18   34   46   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     D    37_A     D    37_A     13   26  110      5    8   17   33   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     K    38_A     K    38_A     13   26  110      5    8   17   30   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     R    39_A     R    39_A     13   26  110      5    8   16   25   43   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     L    40_A     L    40_A     13   22  110      4    8   16   26   43   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     V    41_A     V    41_A     13   22  110      5    8   16   26   43   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     I    42_A     I    42_A     13   22  110      3    6   15   26   41   56   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     R    43_A     R    43_A     13   22  110      5    8   16   27   43   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     L    44_A     L    44_A     13   22  110      5    6   17   27   43   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     G    45_A     G    45_A     13   22  110      5    8   17   29   43   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     I    46_A     I    46_A     13   22  110      5    8   17   29   43   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     Q    47_A     Q    47_A     13   22  110      5    7   15   26   41   60   76   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     G    48_A     G    48_A     13   22  110      3    8   17   28   43   60   76   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     P    49_A     P    49_A     12   22  110      3    7   17   28   43   60   76   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     G    50_A     G    50_A     12   22  110      3    7   16   25   40   56   70   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     F    51_A     F    51_A      5   22  110      3    4   23   38   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     Q    52_A     Q    52_A      5   16  110      3    7   15   30   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     L    53_A     L    53_A      5   16  110      2    5   15   31   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     V    54_A     V    54_A      5   10  110      4   16   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     G    55_A     G    55_A      5    8  110      3   16   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     T    56_A     T    56_A      5    8  110      4    9   17   34   45   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     D    57_A     D    57_A      4    8  110      3    4    6    7   22   31   51   77   86   95  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     S    58_A     S    58_A      4    8  110      3    5   11   19   28   40   60   78   88   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     S    59_A     S    59_A      4    6  110      3    5    7   16   25   39   45   56   82   90  101  104  105  105  106  107  107  107  107  108 
LCS_GDT     T    60_A     T    60_A      4    6  110      3    8   17   29   43   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     I    61_A     I    61_A      4    8  110      3    4   11   23   32   55   70   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     T    62_A     T    62_A      5    8  110      3    5   11   14   32   47   67   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     L    63_A     L    63_A      5   18  110      3    6   15   23   41   59   76   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     Q    64_A     Q    64_A      9   20  110      3    9   15   26   34   58   76   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     A    65_A     A    65_A     12   21  110      3    5    5   22   26   40   54   84   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     M    66_A     M    66_A     15   23  110      4   16   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     E    67_A     E    67_A     15   23  110      4   16   28   41   48   59   76   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     C    68_A     C    68_A     15   23  110      4   16   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     R    69_A     R    69_A     15   23  110      4   16   22   39   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     S    70_A     S    70_A     15   23  110      4   16   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     V    71_A     V    71_A     15   23  110      5   16   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     V    72_A     V    72_A     15   23  110      5   16   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     I    73_A     I    73_A     15   23  110      5   18   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     N    74_A     N    74_A     15   23  110      6   20   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     F    75_A     F    75_A     15   23  110      5   20   27   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     C    76_A     C    76_A     15   23  110     11   20   24   41   48   59   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     P    77_A     P    77_A     15   23  110      4   20   24   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     T    78_A     T    78_A     15   23  110      4   20   24   41   48   58   68   87   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     V    79_A     V    79_A     15   23  110      3   16   22   41   48   59   74   87   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     C    80_A     C    80_A     15   23  110     11   20   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     G    81_A     G    81_A     10   23  110      4    9   21   35   45   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     A    82_A     A    82_A     10   23  110      4    9   21   31   43   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     A    83_A     A    83_A     10   23  110      4   19   24   35   43   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     I    84_A     I    84_A      9   23  110      4    8   17   35   43   60   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     G    85_A     G    85_A      9   23  110      4    8   24   35   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     A    86_A     A    86_A      9   23  110      5   18   25   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     L    87_A     L    87_A      9   23  110      4   10   18   36   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     S    88_A     S    88_A      9   23  110      4   10   18   36   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     F    89_A     F    89_A      9   14  110      3    8   15   26   44   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     Y    90_A     Y    90_A      9   14  110      3    8   15   27   44   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     A    91_A     A    91_A      9   14  110      3    8   15   26   34   53   76   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     P    92_A     P    92_A      7   14  110      3    7   17   27   43   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     P    93_A     P    93_A      7   14  110      3    5    8   19   37   60   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     G    94_A     G    94_A      7   14  110      3    4   12   29   43   60   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     A    95_A     A    95_A      7   13  110      3    3    8    9   28   46   63   82   93   97  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     H    96_A     H    96_A      3   11  110      3    9   15   29   44   59   77   86   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     N    97_A     N    97_A      3    9  110      3   10   15   29   44   59   77   86   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     S    98_A     S    98_A      3    6  110      5    6   17   25   35   43   62   74   90   96  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     N    99_A     N    99_A      4    7  110      3    6   15   22   33   39   51   60   75   85   95  104  105  105  106  107  107  107  107  108 
LCS_GDT     Q   100_A     Q   100_A      4   13  110      3    3    4   10   11   20   30   39   63   88   96  104  105  105  106  107  107  107  107  108 
LCS_GDT     P   101_A     P   101_A     12   13  110      4   10   17   33   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     G   102_A     G   102_A     12   13  110      5   11   23   37   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     L   103_A     L   103_A     12   13  110      5   11   17   37   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     E   104_A     E   104_A     12   13  110      7   15   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     I   105_A     I   105_A     12   13  110      7   15   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     P   106_A     P   106_A     12   13  110      7   15   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     L   107_A     L   107_A     12   13  110      7   18   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     Y   108_A     Y   108_A     12   13  110      7   18   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     G   109_A     G   109_A     12   13  110     10   20   24   38   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     Y   110_A     Y   110_A     12   13  110      7   20   24   38   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     G   111_A     G   111_A     12   13  110     11   20   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     G   112_A     G   112_A     12   13  110     11   20   28   41   48   62   77   88   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_GDT     S   113_A     S   113_A      3   13  110      3    3    4    8   16   42   59   80   94   98  102  104  105  105  106  107  107  107  107  108 
LCS_AVERAGE  LCS_A:  40.90  (   9.17   16.76   96.78 )

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     11     20     28     41     48     62     77     88     94     98    102    104    105    105    106    107    107    107    107    108 
GDT PERCENT_AT   9.82  17.86  25.00  36.61  42.86  55.36  68.75  78.57  83.93  87.50  91.07  92.86  93.75  93.75  94.64  95.54  95.54  95.54  95.54  96.43
GDT RMS_LOCAL    0.34   0.55   1.11   1.39   1.61   2.23   2.50   2.69   2.84   2.98   3.14   3.26   3.35   3.35   3.46   3.61   3.61   3.61   3.61   3.92
GDT RMS_ALL_AT  10.54  10.55   6.90   7.30   7.11   6.03   6.04   6.17   6.15   6.17   6.07   6.04   5.98   5.98   5.93   5.87   5.87   5.87   5.87   5.78

# Checking swapping
#   possible swapping detected:  F    51_A      F    51_A
#   possible swapping detected:  D    57_A      D    57_A
#   possible swapping detected:  E    67_A      E    67_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     2_A      P     2_A    25.978     0    0.505   0.448    29.457    0.000    0.000
LGA    M     3_A      M     3_A    25.565     0    0.156   0.826    29.260    0.000    0.000
LGA    G     4_A      G     4_A    26.123     0    0.636   0.636    26.123    0.000    0.000
LGA    L     5_A      L     5_A    20.870     0    0.180   1.315    22.636    0.000    0.000
LGA    L     6_A      L     6_A    17.533     0    0.353   0.870    21.735    0.000    0.000
LGA    P     7_A      P     7_A    12.614     0    0.094   0.219    15.561    0.000    0.000
LGA    L     8_A      L     8_A    10.081     0    0.077   0.830    11.372    2.976    1.488
LGA    K     9_A      K     9_A     6.387     0    0.047   1.126     7.824   16.905   15.820
LGA    V    10_A      V    10_A     2.980     0    0.064   0.350     3.965   57.500   55.374
LGA    T    11_A      T    11_A     1.734     0    0.156   1.180     3.910   65.595   66.395
LGA    H    12_A      H    12_A     3.879     0    0.659   1.239    11.130   53.810   24.714
LGA    T    13_A      T    13_A     2.789     0    0.043   1.361     6.026   67.619   52.721
LGA    T    14_A      T    14_A     1.544     0    0.113   0.120     3.150   72.976   66.259
LGA    L    15_A      L    15_A     1.284     0    0.072   0.191     2.404   75.119   83.988
LGA    C    16_A      C    16_A     2.797     0    0.067   0.825     3.903   62.857   61.270
LGA    W    17_A      W    17_A     1.996     0    0.607   0.577     3.206   63.095   72.041
LGA    G    18_A      G    18_A     3.230     0    0.100   0.100     3.230   53.571   53.571
LGA    S    19_A      S    19_A     3.246     0    0.095   0.614     3.786   55.476   55.000
LGA    T    20_A      T    20_A     2.494     0    0.065   0.922     3.717   53.810   54.354
LGA    K    21_A      K    21_A     3.165     0    0.022   1.363     3.978   51.786   52.487
LGA    L    22_A      L    22_A     3.319     0    0.046   0.938     4.494   45.119   47.976
LGA    R    23_A      R    23_A     4.838     0    0.033   1.369    12.395   31.548   16.190
LGA    T    24_A      T    24_A     3.791     0    0.070   0.245     4.274   48.452   47.347
LGA    D    25_A      D    25_A     3.330     0    0.104   0.997     7.272   51.905   36.667
LGA    V    26_A      V    26_A     2.037     0    0.050   1.045     3.655   62.857   60.680
LGA    R    27_A      R    27_A     2.051     0    0.089   1.300     5.558   70.833   52.771
LGA    K    28_A      K    28_A     1.692     0    0.075   0.657     2.191   72.857   72.910
LGA    S    29_A      S    29_A     1.948     0    0.045   0.517     3.058   68.810   65.000
LGA    M    30_A      M    30_A     2.074     0    0.057   0.824     6.035   70.833   56.071
LGA    Q    31_A      Q    31_A     1.660     0    0.038   1.212     7.168   70.833   49.683
LGA    V    32_A      V    32_A     1.975     0    0.053   0.086     2.798   75.000   70.680
LGA    K    33_A      K    33_A     2.614     0    0.086   1.431     6.830   50.357   37.302
LGA    N    34_A      N    34_A     3.781     0    0.090   0.177     7.311   57.976   40.774
LGA    T    35_A      T    35_A     3.692     0    0.590   1.273     6.859   52.143   38.503
LGA    A    36_A      A    36_A     2.618     0    0.021   0.035     3.227   59.167   58.762
LGA    D    37_A      D    37_A     1.749     0    0.108   0.881     6.097   65.119   49.405
LGA    K    38_A      K    38_A     2.619     0    0.038   1.209     6.617   64.881   48.413
LGA    R    39_A      R    39_A     3.030     0    0.241   0.907     7.624   55.357   30.909
LGA    L    40_A      L    40_A     3.006     0    0.069   0.897     5.694   51.786   45.000
LGA    V    41_A      V    41_A     3.157     0    0.079   1.093     5.643   50.000   48.027
LGA    I    42_A      I    42_A     3.410     0    0.045   1.175     7.090   50.000   37.619
LGA    R    43_A      R    43_A     2.983     0    0.080   1.226     6.090   53.571   52.035
LGA    L    44_A      L    44_A     2.955     0    0.048   0.715     5.505   57.143   47.560
LGA    G    45_A      G    45_A     2.744     0    0.061   0.061     2.744   57.143   57.143
LGA    I    46_A      I    46_A     2.953     0    0.068   1.272     5.602   51.905   43.690
LGA    Q    47_A      Q    47_A     4.021     0    0.110   1.004     7.284   43.452   30.582
LGA    G    48_A      G    48_A     3.830     0    0.102   0.102     3.929   45.000   45.000
LGA    P    49_A      P    49_A     3.718     0    0.648   0.668     4.484   48.452   43.605
LGA    G    50_A      G    50_A     4.621     0    0.156   0.156     4.885   40.714   40.714
LGA    F    51_A      F    51_A     2.078     0    0.061   1.306     6.422   73.452   44.719
LGA    Q    52_A      Q    52_A     2.911     0    0.199   0.993    11.191   71.190   36.825
LGA    L    53_A      L    53_A     2.445     0    0.365   0.963     5.374   59.167   52.500
LGA    V    54_A      V    54_A     2.604     0    0.165   1.151     3.865   57.262   53.197
LGA    G    55_A      G    55_A     1.862     0    0.455   0.455     2.927   73.214   73.214
LGA    T    56_A      T    56_A     2.575     0    0.419   1.038     5.219   49.167   42.449
LGA    D    57_A      D    57_A     6.442     0    0.571   0.851     9.155   24.048   13.333
LGA    S    58_A      S    58_A     6.016     0    0.132   0.163     6.502   17.143   17.222
LGA    S    59_A      S    59_A     6.533     0    0.093   0.357     7.267   19.524   16.349
LGA    T    60_A      T    60_A     2.531     0    0.645   1.300     4.868   45.476   59.728
LGA    I    61_A      I    61_A     3.746     0    0.135   1.332     4.809   48.452   40.655
LGA    T    62_A      T    62_A     3.877     0    0.254   0.239     4.236   41.786   41.565
LGA    L    63_A      L    63_A     3.319     0    0.217   0.851     5.667   50.000   39.643
LGA    Q    64_A      Q    64_A     4.450     0    0.105   1.078     8.297   43.571   27.249
LGA    A    65_A      A    65_A     5.323     0    0.643   0.598     6.586   25.238   22.857
LGA    M    66_A      M    66_A     2.827     0    0.290   1.127     6.744   51.786   43.810
LGA    E    67_A      E    67_A     3.388     0    0.133   0.944     4.257   57.500   49.788
LGA    C    68_A      C    68_A     2.819     0    0.069   0.741     6.831   51.905   44.048
LGA    R    69_A      R    69_A     2.754     0    0.126   0.776     6.465   64.881   45.325
LGA    S    70_A      S    70_A     2.188     0    0.071   0.733     4.386   60.952   56.349
LGA    V    71_A      V    71_A     2.135     0    0.113   0.187     2.721   70.833   68.299
LGA    V    72_A      V    72_A     1.780     0    0.094   0.139     2.371   68.810   74.218
LGA    I    73_A      I    73_A     2.332     0    0.067   0.713     2.868   64.762   61.905
LGA    N    74_A      N    74_A     2.573     0    0.064   1.045     3.110   55.357   61.429
LGA    F    75_A      F    75_A     2.838     0    0.048   0.788     2.989   57.143   72.035
LGA    C    76_A      C    76_A     3.532     0    0.179   0.658     4.400   43.452   43.492
LGA    P    77_A      P    77_A     2.783     0    0.141   0.189     3.259   53.571   58.367
LGA    T    78_A      T    78_A     4.559     0    0.024   1.118     6.021   34.405   31.156
LGA    V    79_A      V    79_A     4.233     0    0.023   0.071     5.374   49.048   39.252
LGA    C    80_A      C    80_A     1.753     0    0.173   0.823     3.509   73.333   66.905
LGA    G    81_A      G    81_A     2.213     0    0.046   0.046     2.213   77.381   77.381
LGA    A    82_A      A    82_A     3.227     0    0.366   0.395     4.728   51.786   47.714
LGA    A    83_A      A    83_A     3.213     0    0.169   0.202     3.491   51.786   51.429
LGA    I    84_A      I    84_A     3.321     0    0.046   1.341     4.723   53.571   50.357
LGA    G    85_A      G    85_A     2.584     0    0.080   0.080     2.940   65.000   65.000
LGA    A    86_A      A    86_A     1.240     0    0.031   0.049     1.848   83.810   83.333
LGA    L    87_A      L    87_A     1.230     0    0.073   0.253     2.940   81.548   73.214
LGA    S    88_A      S    88_A     1.524     0    0.055   0.700     2.290   75.000   74.365
LGA    F    89_A      F    89_A     2.901     0    0.141   0.649     6.003   53.690   41.818
LGA    Y    90_A      Y    90_A     2.549     0    0.106   1.210    10.235   55.357   34.365
LGA    A    91_A      A    91_A     4.135     0    0.092   0.126     5.437   50.595   45.714
LGA    P    92_A      P    92_A     3.181     0    0.140   0.319     5.314   55.476   45.238
LGA    P    93_A      P    93_A     3.484     0    0.610   0.550     7.109   48.333   35.850
LGA    G    94_A      G    94_A     3.565     0    0.633   0.633     4.077   45.119   45.119
LGA    A    95_A      A    95_A     5.542     0    0.600   0.617     7.317   29.048   25.238
LGA    H    96_A      H    96_A     4.858     0    0.568   0.561     8.069   29.048   20.762
LGA    N    97_A      N    97_A     4.889     0    0.562   0.625     6.789   24.405   26.667
LGA    S    98_A      S    98_A     6.999     0    0.292   0.637     8.208   11.667   13.571
LGA    N    99_A      N    99_A     9.883     0    0.221   1.022    11.299    2.738    1.429
LGA    Q   100_A      Q   100_A     8.615     0    0.420   1.423    14.675    6.548    2.910
LGA    P   101_A      P   101_A     2.792     0    0.080   0.109     5.749   40.000   46.939
LGA    G   102_A      G   102_A     2.186     0    0.393   0.393     2.514   64.881   64.881
LGA    L   103_A      L   103_A     2.184     0    0.060   0.972     5.452   70.952   58.452
LGA    E   104_A      E   104_A     1.275     0    0.055   0.757     3.816   77.143   67.196
LGA    I   105_A      I   105_A     0.808     0    0.065   0.597     1.829   90.476   88.274
LGA    P   106_A      P   106_A     0.855     0    0.163   0.254     1.018   90.476   89.184
LGA    L   107_A      L   107_A     0.367     0    0.226   1.297     3.181   97.619   86.845
LGA    Y   108_A      Y   108_A     0.849     0    0.150   1.154     6.867   92.857   64.048
LGA    G   109_A      G   109_A     0.935     0    0.241   0.241     1.568   83.810   83.810
LGA    Y   110_A      Y   110_A     0.803     0    0.098   1.571    11.780   92.857   46.071
LGA    G   111_A      G   111_A     1.264     0    0.072   0.072     1.969   79.405   79.405
LGA    G   112_A      G   112_A     2.392     0    0.205   0.205     3.385   63.095   63.095
LGA    S   113_A      S   113_A     4.979     0    0.407   0.847     8.016   40.714   29.603

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      112     448    448  100.00     831    831  100.00               112
SUMMARY(RMSD_GDC):     5.519          5.440                  6.023           52.401   46.551

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  113  112    4.0     88    2.69    57.143    50.659     3.149

LGA_LOCAL      RMSD:   2.694  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.175  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:   5.519  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.581750 * X  +  -0.713624 * Y  +   0.390266 * Z  +   1.682746
  Y_new =  -0.596211 * X  +  -0.047761 * Y  +   0.801406 * Z  + -61.041416
  Z_new =  -0.553263 * X  +  -0.698899 * Y  +  -0.453256 * Z  +  14.660574 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.797674  0.586276 -2.146136   [DEG:  -45.7033   33.5912 -122.9645 ]
ZXZ:  2.688418  2.041211 -2.471982   [DEG:  154.0350  116.9528 -141.6341 ]
 
# END of job
