
#######################################################
#                                                     #
#                        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  108 (  804),  selected  108 , name one
# Molecule2: number of CA atoms  112 (  831),  selected  108 , 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:   108       6_A - 113_A       3.92     3.92
  LCS_AVERAGE:     96.43

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28      10_A - 37_A        1.99     4.61
  LCS_AVERAGE:     17.83

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15      17_A - 31_A        0.98     5.81
  LONGEST_CONTINUOUS_SEGMENT:    15      66_A - 80_A        0.99     6.36
  LCS_AVERAGE:      9.29

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  108
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     L     6_A     L     6_A      3    6  108      3    3    3    3    5    7   11   21   27   34   41   47   61   70   88  102  104  107  108  108 
LCS_GDT     P     7_A     P     7_A      7    8  108      5    7    7    7    8    8   11   11   13   36   43   49   77   80   90   94  103  107  108  108 
LCS_GDT     L     8_A     L     8_A      7    8  108      5    7    7    7    8    9   18   23   37   56   66   80   93  100  102  104  106  107  108  108 
LCS_GDT     K     9_A     K     9_A      7    8  108      5    7    7   11   23   34   46   69   78   92   97  103  103  104  105  105  106  107  108  108 
LCS_GDT     V    10_A     V    10_A      7   28  108      5    7   13   33   47   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     T    11_A     T    11_A      7   28  108      5   14   20   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     H    12_A     H    12_A     10   28  108      5   19   25   31   40   55   77   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     T    13_A     T    13_A     10   28  108      5   10   25   32   44   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     T    14_A     T    14_A     10   28  108      5   12   24   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     L    15_A     L    15_A     10   28  108      5   12   24   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     C    16_A     C    16_A     10   28  108      5   10   23   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     W    17_A     W    17_A     15   28  108      3   13   24   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     G    18_A     G    18_A     15   28  108      3    8   21   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     S    19_A     S    19_A     15   28  108      5   13   24   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     T    20_A     T    20_A     15   28  108      5   19   25   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     K    21_A     K    21_A     15   28  108      9   19   25   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     L    22_A     L    22_A     15   28  108      9   19   25   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     R    23_A     R    23_A     15   28  108      9   19   25   34   43   58   72   87   91   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     T    24_A     T    24_A     15   28  108      9   19   25   34   47   62   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     D    25_A     D    25_A     15   28  108      4   19   25   34   50   66   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     V    26_A     V    26_A     15   28  108      9   19   25   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     R    27_A     R    27_A     15   28  108      9   19   25   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     K    28_A     K    28_A     15   28  108      8   19   25   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     S    29_A     S    29_A     15   28  108      5   19   25   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     M    30_A     M    30_A     15   28  108      5   18   25   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     Q    31_A     Q    31_A     15   28  108      6   17   25   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     V    32_A     V    32_A     11   28  108      4   12   24   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     K    33_A     K    33_A     10   28  108      4   12   24   34   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     N    34_A     N    34_A      9   28  108      3    9   15   28   47   63   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     T    35_A     T    35_A     12   28  108      3    7   22   34   45   62   78   87   91   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     A    36_A     A    36_A     12   28  108      3   14   24   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     D    37_A     D    37_A     12   28  108      5    9   16   34   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     K    38_A     K    38_A     12   27  108      3    9   16   34   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     R    39_A     R    39_A     12   27  108      4    8   13   26   47   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     L    40_A     L    40_A     12   27  108      4    6   13   24   37   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     V    41_A     V    41_A     12   20  108      4    8   14   26   44   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     I    42_A     I    42_A     12   20  108      4    6   13   26   40   62   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     R    43_A     R    43_A     12   20  108      4    8   14   29   44   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     L    44_A     L    44_A     12   20  108      4    8   15   29   44   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     G    45_A     G    45_A     12   20  108      4    8   14   29   45   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     I    46_A     I    46_A     12   20  108      4    8   14   29   45   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     Q    47_A     Q    47_A     11   20  108      4    8   19   30   44   64   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     G    48_A     G    48_A      8   20  108      3    7   13   18   36   51   64   83   91   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     P    49_A     P    49_A      8   20  108      4    6   13   18   23   34   47   62   73   83   94   97  103  104  105  105  106  107  108  108 
LCS_GDT     G    50_A     G    50_A      7   20  108      3    8   12   19   33   51   63   77   91   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     F    51_A     F    51_A      5   19  108      3    5   21   32   47   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     Q    52_A     Q    52_A      5   13  108      3    4   14   33   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     L    53_A     L    53_A      5   13  108      3    4   13   33   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     V    54_A     V    54_A      5    7  108      3   10   21   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     G    55_A     G    55_A      5    7  108      3    4   19   34   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     T    56_A     T    56_A      6    7  108      3    4   10   18   35   53   72   85   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     D    57_A     D    57_A      6    7  108      3    5    6    6    7    9   18   28   50   68   87   94  103  104  105  105  106  107  108  108 
LCS_GDT     S    58_A     S    58_A      6    7  108      4    5   12   23   35   53   72   85   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     S    59_A     S    59_A      6    7  108      3    5   11   16   24   35   44   63   76   92   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     T    60_A     T    60_A      6    7  108      3    8   16   30   47   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     I    61_A     I    61_A      6    8  108      3    5    7   19   37   51   77   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     T    62_A     T    62_A      5   18  108      3    5    7   11   37   51   78   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     L    63_A     L    63_A      5   19  108      3    5    7   19   37   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     Q    64_A     Q    64_A     11   21  108      3   10   19   25   45   63   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     A    65_A     A    65_A     12   22  108      3    5    5    8   24   35   47   75   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     M    66_A     M    66_A     15   23  108      4   15   24   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     E    67_A     E    67_A     15   23  108      5   15   24   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     C    68_A     C    68_A     15   23  108      4   14   24   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     R    69_A     R    69_A     15   23  108      6   14   22   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     S    70_A     S    70_A     15   23  108      6   15   24   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     V    71_A     V    71_A     15   23  108      6   15   24   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     V    72_A     V    72_A     15   23  108      5   15   24   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     I    73_A     I    73_A     15   23  108      6   15   24   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     N    74_A     N    74_A     15   23  108      6   18   25   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     F    75_A     F    75_A     15   23  108      4   19   25   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     C    76_A     C    76_A     15   23  108      9   19   25   34   47   62   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     P    77_A     P    77_A     15   23  108      6   19   25   32   50   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     T    78_A     T    78_A     15   23  108      4   18   24   31   43   58   72   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     V    79_A     V    79_A     15   23  108      4   15   23   32   47   64   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     C    80_A     C    80_A     15   23  108      6   19   25   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     G    81_A     G    81_A     11   23  108      5   15   25   32   47   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     A    82_A     A    82_A     11   23  108      4   12   22   31   44   64   78   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     A    83_A     A    83_A     11   23  108      4   15   25   31   45   64   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     I    84_A     I    84_A      8   23  108      5   18   25   32   46   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     G    85_A     G    85_A      8   23  108      5   10   25   34   47   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     A    86_A     A    86_A      8   23  108      5   15   24   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     L    87_A     L    87_A      8   23  108      5    9   16   34   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     S    88_A     S    88_A      8   23  108      5    9   16   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     F    89_A     F    89_A      8   16  108      3    8   16   27   45   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     Y    90_A     Y    90_A      8   16  108      3    8   16   27   49   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     A    91_A     A    91_A      8   16  108      3    7   13   20   31   55   77   86   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     P    92_A     P    92_A      7   16  108      3    8   14   29   47   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     P    93_A     P    93_A      7   16  108      3    6   12   28   46   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     G    94_A     G    94_A      7   16  108      3    8   16   29   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     A    95_A     A    95_A      6   16  108      3    4   10   19   25   36   65   78   90   95   98  103  103  104  105  105  106  106  108  108 
LCS_GDT     H    96_A     H    96_A      6    8  108      4    5   19   25   29   49   68   83   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     N    97_A     N    97_A      6    8  108      4   12   16   24   32   44   63   76   88   93   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     S    98_A     S    98_A      6   14  108      4    7   19   25   31   49   68   80   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     N    99_A     N    99_A      6   14  108      4    5   19   25   32   39   55   66   82   91   97  103  103  104  105  105  106  107  108  108 
LCS_GDT     Q   100_A     Q   100_A      6   14  108      3    5    6   10   14   25   47   54   75   89   95  103  103  104  105  105  106  107  108  108 
LCS_GDT     P   101_A     P   101_A     11   14  108      5   10   21   31   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     G   102_A     G   102_A     11   14  108      6   10   21   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     L   103_A     L   103_A     11   14  108      5   10   21   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     E   104_A     E   104_A     11   14  108      6   10   24   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     I   105_A     I   105_A     11   14  108      6   10   24   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     P   106_A     P   106_A     11   14  108      6   11   24   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     L   107_A     L   107_A     11   14  108      6   15   24   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     Y   108_A     Y   108_A     11   14  108      6   15   24   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     G   109_A     G   109_A     11   14  108      4   19   25   34   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     Y   110_A     Y   110_A     11   14  108      9   19   25   34   49   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     G   111_A     G   111_A     11   14  108      8   19   25   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     G   112_A     G   112_A      6   14  108      9   19   25   35   51   67   79   87   92   95   98  103  103  104  105  105  106  107  108  108 
LCS_GDT     S   113_A     S   113_A      3   13  108      3    3    4    7   18   24   49   78   91   94   98  103  103  104  105  105  106  107  108  108 
LCS_AVERAGE  LCS_A:  41.18  (   9.29   17.83   96.43 )

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     35     51     67     79     87     92     95     98    103    103    104    105    105    106    107    108    108 
GDT PERCENT_AT   8.04  16.96  22.32  31.25  45.54  59.82  70.54  77.68  82.14  84.82  87.50  91.96  91.96  92.86  93.75  93.75  94.64  95.54  96.43  96.43
GDT RMS_LOCAL    0.34   0.60   0.92   1.41   1.86   2.19   2.42   2.58   2.80   2.88   3.04   3.31   3.31   3.38   3.46   3.46   3.57   3.89   3.92   3.92
GDT RMS_ALL_AT  10.25   8.70   7.28   4.76   4.18   4.09   4.05   4.11   4.04   4.08   4.01   3.95   3.95   3.95   3.96   3.96   3.94   3.92   3.92   3.92

# 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:  F    89_A      F    89_A
#   possible swapping detected:  Y   108_A      Y   108_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     6_A      L     6_A    13.592     0    0.202   0.801    15.847    0.000    0.000
LGA    P     7_A      P     7_A    13.581     0    0.560   0.589    17.616    0.000    0.000
LGA    L     8_A      L     8_A    10.386     0    0.018   0.910    11.671    1.905    0.952
LGA    K     9_A      K     9_A     6.634     0    0.025   0.893     9.115   14.167    9.471
LGA    V    10_A      V    10_A     2.980     0    0.042   0.249     4.089   54.048   52.517
LGA    T    11_A      T    11_A     1.966     0    0.013   1.184     3.691   65.595   61.020
LGA    H    12_A      H    12_A     3.610     0    0.643   1.536    10.690   55.595   28.000
LGA    T    13_A      T    13_A     2.803     0    0.109   0.399     4.564   63.214   53.061
LGA    T    14_A      T    14_A     1.514     0    0.099   0.121     2.886   77.143   70.748
LGA    L    15_A      L    15_A     1.207     0    0.112   0.160     2.378   75.119   83.988
LGA    C    16_A      C    16_A     2.421     0    0.026   0.153     4.060   70.833   61.746
LGA    W    17_A      W    17_A     1.437     0    0.667   0.547     3.259   69.286   76.803
LGA    G    18_A      G    18_A     2.626     0    0.140   0.140     2.626   62.857   62.857
LGA    S    19_A      S    19_A     2.411     0    0.032   0.071     3.255   66.786   62.381
LGA    T    20_A      T    20_A     2.242     0    0.044   0.097     3.231   59.167   61.633
LGA    K    21_A      K    21_A     2.735     0    0.054   1.314     3.610   59.048   61.640
LGA    L    22_A      L    22_A     2.615     0    0.076   0.230     3.603   51.905   59.405
LGA    R    23_A      R    23_A     4.112     0    0.135   1.018     5.236   37.619   42.121
LGA    T    24_A      T    24_A     3.365     0    0.035   1.280     3.885   53.571   51.088
LGA    D    25_A      D    25_A     2.937     0    0.109   0.729     5.994   59.167   46.250
LGA    V    26_A      V    26_A     1.842     0    0.023   1.219     3.849   68.810   66.395
LGA    R    27_A      R    27_A     1.996     0    0.059   0.493     6.930   72.857   47.662
LGA    K    28_A      K    28_A     1.691     0    0.040   1.129     4.034   72.857   72.116
LGA    S    29_A      S    29_A     2.078     0    0.033   0.214     2.496   66.786   66.111
LGA    M    30_A      M    30_A     2.160     0    0.027   1.128     6.391   66.786   52.024
LGA    Q    31_A      Q    31_A     1.964     0    0.096   0.584     4.746   64.881   51.852
LGA    V    32_A      V    32_A     2.289     0    0.037   0.993     3.386   68.810   63.878
LGA    K    33_A      K    33_A     2.682     0    0.024   1.323     7.047   50.357   35.820
LGA    N    34_A      N    34_A     3.782     0    0.064   0.314     8.054   59.881   40.417
LGA    T    35_A      T    35_A     3.630     0    0.579   1.253     6.966   54.167   38.980
LGA    A    36_A      A    36_A     2.079     0    0.149   0.206     2.796   71.190   68.381
LGA    D    37_A      D    37_A     2.055     0    0.022   0.910     5.411   64.881   53.690
LGA    K    38_A      K    38_A     2.172     0    0.055   0.833     5.819   72.976   55.397
LGA    R    39_A      R    39_A     2.563     0    0.207   1.104     5.071   59.048   45.368
LGA    L    40_A      L    40_A     3.230     0    0.070   0.980     6.695   53.571   43.929
LGA    V    41_A      V    41_A     3.027     0    0.066   0.236     3.730   48.333   52.109
LGA    I    42_A      I    42_A     3.431     0    0.022   1.344     8.574   50.000   38.333
LGA    R    43_A      R    43_A     3.082     0    0.028   1.207     3.526   50.000   57.965
LGA    L    44_A      L    44_A     3.119     0    0.031   0.734     5.425   50.000   44.583
LGA    G    45_A      G    45_A     3.161     0    0.045   0.045     3.161   51.786   51.786
LGA    I    46_A      I    46_A     3.405     0    0.097   1.737     6.174   46.667   40.238
LGA    Q    47_A      Q    47_A     4.151     0    0.081   1.052     6.989   35.833   33.598
LGA    G    48_A      G    48_A     5.832     0    0.404   0.404     6.446   20.476   20.476
LGA    P    49_A      P    49_A     8.382     0    0.573   0.714    11.227   12.857    7.415
LGA    G    50_A      G    50_A     6.005     0    0.503   0.503     7.489   21.190   21.190
LGA    F    51_A      F    51_A     2.532     0    0.053   1.300     7.185   72.024   42.078
LGA    Q    52_A      Q    52_A     2.463     0    0.243   1.191    10.155   73.214   39.418
LGA    L    53_A      L    53_A     2.681     0    0.255   0.611     4.030   53.690   48.571
LGA    V    54_A      V    54_A     1.853     0    0.108   1.023     3.819   70.833   61.973
LGA    G    55_A      G    55_A     2.515     0    0.155   0.155     2.703   61.071   61.071
LGA    T    56_A      T    56_A     5.035     0    0.535   1.147     8.434   20.357   20.680
LGA    D    57_A      D    57_A     8.295     0    0.410   1.273    11.984   12.143    6.071
LGA    S    58_A      S    58_A     5.065     0    0.087   0.158     6.268   20.476   28.095
LGA    S    59_A      S    59_A     6.752     0    0.039   0.408     8.156   18.452   14.286
LGA    T    60_A      T    60_A     2.710     0    0.632   1.268     4.745   45.476   57.279
LGA    I    61_A      I    61_A     3.777     0    0.192   1.332     5.351   48.452   38.631
LGA    T    62_A      T    62_A     3.595     0    0.214   0.214     4.234   41.786   42.449
LGA    L    63_A      L    63_A     3.037     0    0.266   1.128     5.899   55.476   43.036
LGA    Q    64_A      Q    64_A     3.669     0    0.073   0.986     7.380   50.357   35.767
LGA    A    65_A      A    65_A     5.455     0    0.612   0.573     7.011   26.548   23.238
LGA    M    66_A      M    66_A     2.668     0    0.188   1.105     6.950   55.357   45.655
LGA    E    67_A      E    67_A     2.846     0    0.160   0.943     3.141   62.976   60.741
LGA    C    68_A      C    68_A     2.718     0    0.041   0.740     5.437   51.905   47.302
LGA    R    69_A      R    69_A     2.438     0    0.074   1.331     8.607   66.786   44.156
LGA    S    70_A      S    70_A     2.165     0    0.023   0.120     3.119   62.857   59.762
LGA    V    71_A      V    71_A     2.031     0    0.087   1.049     4.098   70.833   67.959
LGA    V    72_A      V    72_A     1.631     0    0.034   0.144     2.029   70.833   75.374
LGA    I    73_A      I    73_A     2.046     0    0.030   0.546     2.652   68.810   65.833
LGA    N    74_A      N    74_A     2.113     0    0.034   1.201     3.890   62.857   63.155
LGA    F    75_A      F    75_A     2.435     0    0.070   0.899     2.996   62.857   65.714
LGA    C    76_A      C    76_A     3.213     0    0.143   0.806     4.235   48.571   51.746
LGA    P    77_A      P    77_A     2.463     0    0.105   0.129     2.776   60.952   67.279
LGA    T    78_A      T    78_A     3.935     0    0.200   0.195     5.346   39.167   35.102
LGA    V    79_A      V    79_A     3.058     0    0.023   0.066     4.592   61.429   50.204
LGA    C    80_A      C    80_A     0.280     0    0.136   0.751     2.564   81.905   77.698
LGA    G    81_A      G    81_A     3.003     0    0.062   0.062     3.067   59.405   59.405
LGA    A    82_A      A    82_A     4.630     0    0.292   0.333     5.790   34.286   31.714
LGA    A    83_A      A    83_A     3.810     0    0.042   0.044     4.164   43.452   42.190
LGA    I    84_A      I    84_A     2.935     0    0.114   1.129     3.903   57.143   51.964
LGA    G    85_A      G    85_A     2.340     0    0.020   0.020     2.467   68.810   68.810
LGA    A    86_A      A    86_A     1.103     0    0.060   0.107     1.677   83.810   85.143
LGA    L    87_A      L    87_A     1.472     0    0.139   0.237     2.730   79.286   72.083
LGA    S    88_A      S    88_A     1.490     0    0.109   0.216     1.891   75.000   78.651
LGA    F    89_A      F    89_A     2.754     0    0.198   0.746     3.570   57.262   58.095
LGA    Y    90_A      Y    90_A     2.394     0    0.083   1.229     9.340   55.714   37.579
LGA    A    91_A      A    91_A     4.198     0    0.200   0.241     5.904   50.595   44.762
LGA    P    92_A      P    92_A     3.109     0    0.144   0.301     7.318   53.690   38.912
LGA    P    93_A      P    93_A     2.749     0    0.592   0.646     5.640   59.167   46.667
LGA    G    94_A      G    94_A     2.455     0    0.038   0.038     3.547   57.738   57.738
LGA    A    95_A      A    95_A     6.787     0    0.609   0.661     8.284   16.667   14.286
LGA    H    96_A      H    96_A     5.455     0    0.349   0.931     9.809   23.810   16.048
LGA    N    97_A      N    97_A     7.518     0    0.522   1.072    12.771    9.405    5.357
LGA    S    98_A      S    98_A     6.285     0    0.047   0.599     8.331   11.310   16.587
LGA    N    99_A      N    99_A     8.408     0    0.296   0.966     8.998    5.119    6.310
LGA    Q   100_A      Q   100_A     8.575     0    0.222   1.062    15.918    8.571    3.810
LGA    P   101_A      P   101_A     3.095     0    0.167   0.250     5.802   35.238   37.755
LGA    G   102_A      G   102_A     1.878     0    0.324   0.324     2.285   70.833   70.833
LGA    L   103_A      L   103_A     2.185     0    0.016   0.119     3.606   70.952   60.536
LGA    E   104_A      E   104_A     1.199     0    0.015   0.946     3.549   77.143   67.196
LGA    I   105_A      I   105_A     0.879     0    0.051   0.600     1.969   88.214   87.143
LGA    P   106_A      P   106_A     0.825     0    0.140   0.348     1.351   90.476   90.544
LGA    L   107_A      L   107_A     0.370     0    0.227   1.290     3.483   97.619   86.726
LGA    Y   108_A      Y   108_A     0.844     0    0.056   0.265     1.341   90.476   91.310
LGA    G   109_A      G   109_A     1.608     0    0.249   0.249     2.739   69.048   69.048
LGA    Y   110_A      Y   110_A     1.983     0    0.140   1.467    12.782   77.143   35.437
LGA    G   111_A      G   111_A     0.584     0    0.098   0.098     1.421   85.952   85.952
LGA    G   112_A      G   112_A     1.932     0    0.202   0.202     3.985   63.690   63.690
LGA    S   113_A      S   113_A     5.737     0    0.202   0.647     9.318   33.571   23.413

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      108     432    432  100.00     804    804  100.00               112
SUMMARY(RMSD_GDC):     3.920          3.815                  4.622           51.885   46.977

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  108  112    4.0     87    2.58    54.911    50.272     3.241

LGA_LOCAL      RMSD:   2.584  Number of atoms:   87  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.111  Number of assigned atoms:  108 
Std_ASGN_ATOMS RMSD:   3.920  Standard rmsd on all 108 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.610221 * X  +  -0.499629 * Y  +   0.614818 * Z  + -17.081432
  Y_new =  -0.734884 * X  +  -0.067093 * Y  +   0.674866 * Z  + -56.025105
  Z_new =  -0.295933 * X  +  -0.863637 * Y  +  -0.408111 * Z  +  15.380062 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.877813  0.300432 -2.012243   [DEG:  -50.2950   17.2135 -115.2930 ]
ZXZ:  2.402721  1.991180 -2.811472   [DEG:  137.6658  114.0862 -161.0855 ]
 
# END of job
