
#######################################################
#                                                     #
#                        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  115 (  972),  selected  108 , name one
# Molecule2: number of CA atoms  108 (  908),  selected  108 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   108       2_C - 109_C       4.79     4.79
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40      32_C - 71_C        1.92     6.64
  LCS_AVERAGE:     30.33

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26       3_C - 28_C        0.69     7.52
  LCS_AVERAGE:     19.67

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     2_C     L     2_C      3   28  108      3    3    3    3    4   10   18   31   47   68   86   93   98  103  104  106  106  107  108  108 
LCS_GDT     P     3_C     P     3_C     26   28  108      8   19   26   26   29   34   39   53   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     D     4_C     D     4_C     26   28  108      8   22   26   26   29   34   39   53   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E     5_C     E     5_C     26   28  108     13   23   26   26   29   34   39   53   62   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E     6_C     E     6_C     26   28  108     13   23   26   26   29   34   39   53   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     K     7_C     K     7_C     26   28  108     14   23   26   26   29   34   39   53   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     L     8_C     L     8_C     26   28  108     14   23   26   26   29   34   39   53   63   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     K     9_C     K     9_C     26   28  108     14   23   26   26   29   34   39   53   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     L    10_C     L    10_C     26   28  108     14   23   26   26   29   34   39   53   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     L    11_C     L    11_C     26   28  108     14   23   26   26   29   34   39   53   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     D    12_C     D    12_C     26   28  108     14   23   26   26   29   34   39   53   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     T    13_C     T    13_C     26   28  108     14   23   26   26   29   34   39   53   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     L    14_C     L    14_C     26   28  108     14   23   26   26   29   34   39   53   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     L    15_C     L    15_C     26   28  108     14   23   26   26   29   34   39   53   63   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     T    16_C     T    16_C     26   28  108     14   23   26   26   29   34   39   53   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     M    17_C     M    17_C     26   28  108     13   23   26   26   29   34   39   53   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     V    18_C     V    18_C     26   28  108     13   23   26   26   29   34   37   53   63   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E    19_C     E    19_C     26   28  108     14   23   26   26   29   34   39   53   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     W    20_C     W    20_C     26   28  108     14   23   26   26   29   34   39   53   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     V    21_C     V    21_C     26   28  108     14   23   26   26   29   34   37   53   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     K    22_C     K    22_C     26   28  108     14   23   26   26   29   34   39   53   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E    23_C     E    23_C     26   28  108      9   23   26   26   29   34   39   53   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     L    24_C     L    24_C     26   28  108      9   23   26   26   26   34   37   52   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     L    25_C     L    25_C     26   28  108      9   23   26   26   29   34   37   53   63   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E    26_C     E    26_C     26   28  108      5   21   26   26   29   34   37   45   62   65   89   96  101  104  105  106  106  107  108  108 
LCS_GDT     E    27_C     E    27_C     26   28  108      5   23   26   26   29   34   37   44   63   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     S    28_C     S    28_C     26   28  108     13   23   26   26   29   34   37   53   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     V    29_C     V    29_C      4   28  108      4    4    5    5    7   10   26   32   48   64   66   68   90   99  105  106  106  107  108  108 
LCS_GDT     E    30_C     E    30_C      4    5  108      4    4    5    5    5    6   13   14   22   27   38   49   65   69   72   85  106  107  108  108 
LCS_GDT     K    31_C     K    31_C      4   23  108      4    4    4    5    7   15   24   34   52   64   68   95  100  104  105  106  106  107  108  108 
LCS_GDT     N    32_C     N    32_C      4   40  108      4    4    4   16   20   39   45   60   62   66   74   97  101  104  105  106  106  107  108  108 
LCS_GDT     S    33_C     S    33_C     22   40  108      3   16   21   24   37   44   57   60   62   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     R    34_C     R    34_C     22   40  108     17   20   21   23   37   45   57   60   62   66   80   97  101  104  105  106  106  107  108  108 
LCS_GDT     M    35_C     M    35_C     22   40  108     17   21   23   26   37   45   57   60   62   66   89   98  101  104  105  106  106  107  108  108 
LCS_GDT     R    36_C     R    36_C     22   40  108     17   20   21   24   37   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     H    37_C     H    37_C     22   40  108     17   20   21   23   37   44   57   60   62   82   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     I    38_C     I    38_C     22   40  108     17   20   21   25   37   45   57   60   62   66   91   98  101  104  105  106  106  107  108  108 
LCS_GDT     R    39_C     R    39_C     22   40  108     17   20   23   25   37   45   57   60   62   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     A    40_C     A    40_C     22   40  108     17   20   21   24   37   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     V    41_C     V    41_C     22   40  108     17   20   21   23   37   45   57   60   62   82   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     M    42_C     M    42_C     22   40  108     17   21   23   26   37   43   57   60   62   82   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     W    43_C     W    43_C     22   40  108     17   20   21   25   37   43   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     A    44_C     A    44_C     22   40  108     17   20   21   23   37   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E    45_C     E    45_C     22   40  108     17   20   21   23   37   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     Y    46_C     Y    46_C     22   40  108     17   21   23   26   37   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     M    47_C     M    47_C     22   40  108     17   20   21   25   37   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     L    48_C     L    48_C     22   40  108     17   20   21   23   37   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E    49_C     E    49_C     22   40  108     17   20   23   26   37   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     I    50_C     I    50_C     22   40  108     17   20   21   25   37   42   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     A    51_C     A    51_C     22   40  108     17   20   21   22   34   45   57   60   62   82   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     R    52_C     R    52_C     22   40  108     10   20   21   26   37   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     S    53_C     S    53_C     22   40  108      6   21   23   25   37   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     L    54_C     L    54_C     22   40  108     12   21   23   26   37   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E    55_C     E    55_C     20   40  108      3   21   23   26   37   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     D    56_C     D    56_C     20   40  108     14   21   23   26   37   45   57   60   62   78   91   98  101  104  105  106  106  107  108  108 
LCS_GDT     E    57_C     E    57_C     20   40  108     14   21   23   26   37   45   57   60   62   77   91   98  101  104  105  106  106  107  108  108 
LCS_GDT     K    58_C     K    58_C     20   40  108     14   21   23   26   37   45   57   60   62   78   91   98  101  104  105  106  106  107  108  108 
LCS_GDT     I    59_C     I    59_C     20   40  108     14   21   23   26   37   45   57   60   62   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     L    60_C     L    60_C     20   40  108     13   21   23   26   37   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E    61_C     E    61_C     20   40  108     14   21   23   26   37   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     I    62_C     I    62_C     20   40  108     14   21   23   26   37   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     A    63_C     A    63_C     20   40  108     14   21   23   26   37   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E    64_C     E    64_C     20   40  108     14   21   23   26   37   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     K    65_C     K    65_C     20   40  108     14   21   23   26   37   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     L    66_C     L    66_C     20   40  108     14   21   23   26   37   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E    67_C     E    67_C     20   40  108     14   21   23   26   37   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     K    68_C     K    68_C     20   40  108     14   21   23   26   37   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     A    69_C     A    69_C     20   40  108     14   21   23   25   37   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     L    70_C     L    70_C     20   40  108     14   21   23   26   36   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     P    71_C     P    71_C     19   40  108      3    3    4   16   37   45   57   60   63   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E    72_C     E    72_C      4   39  108      4    8   13   22   34   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     K    73_C     K    73_C      4   28  108      3    3    6   16   26   37   45   54   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     S    74_C     S    74_C      4    6  108      3    3    5   10   19   26   34   45   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     K    75_C     K    75_C      4   21  108      0    3    5    8   19   32   44   53   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     M    76_C     M    76_C      6   32  108      3    4    6    9   13   18   29   39   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     F    77_C     F    77_C     22   32  108      3    5    8   18   28   38   50   57   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     T    78_C     T    78_C     24   32  108     12   18   25   28   34   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     K    79_C     K    79_C     24   32  108     16   18   26   28   34   45   57   60   62   80   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E    80_C     E    80_C     24   32  108     16   18   26   28   34   45   57   60   62   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E    81_C     E    81_C     25   32  108     16   18   26   28   34   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     Y    82_C     Y    82_C     25   32  108     16   18   26   28   34   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E    83_C     E    83_C     25   32  108     16   18   26   28   34   45   57   60   63   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     K    84_C     K    84_C     25   32  108     16   18   26   28   34   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     L    85_C     L    85_C     25   32  108     16   18   26   28   34   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     M    86_C     M    86_C     25   32  108     16   18   26   28   34   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E    87_C     E    87_C     25   32  108     16   18   26   28   31   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     V    88_C     V    88_C     25   32  108     16   18   26   28   31   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     L    89_C     L    89_C     25   32  108     16   18   26   28   34   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E    90_C     E    90_C     25   32  108     16   18   26   28   34   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E    91_C     E    91_C     25   32  108     16   18   26   28   30   44   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     L    92_C     L    92_C     25   32  108     16   18   26   28   30   43   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E    93_C     E    93_C     25   32  108     16   18   25   28   34   45   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E    94_C     E    94_C     25   32  108     16   18   26   28   30   40   57   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     V    95_C     V    95_C     25   32  108      7   18   26   28   30   37   49   59   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     L    96_C     L    96_C     25   32  108      8   18   26   28   30   38   53   60   62   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E    97_C     E    97_C     25   32  108      8   17   26   28   30   39   53   60   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E    98_C     E    98_C     25   32  108      8   17   26   28   30   37   45   55   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     K    99_C     K    99_C     25   32  108      8   17   26   28   30   37   45   55   62   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     K   100_C     K   100_C     25   32  108      8   17   26   28   30   37   49   55   62   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E   101_C     E   101_C     25   32  108      8   17   26   28   30   37   45   55   65   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E   102_C     E   102_C     25   32  108      7   17   26   28   29   34   41   50   56   82   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     V   103_C     V   103_C     25   32  108      7   17   26   28   29   37   44   55   62   78   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E   104_C     E   104_C     25   32  108      3   13   26   28   30   37   45   55   62   78   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     E   105_C     E   105_C     25   32  108      6   17   26   28   30   37   43   51   60   83   92   98  101  104  105  106  106  107  108  108 
LCS_GDT     R   106_C     R   106_C     23   32  108      3   11   20   28   29   30   31   33   51   68   90   98  101  104  105  106  106  107  108  108 
LCS_GDT     I   107_C     I   107_C      6   32  108      3    3    6   14   27   30   31   32   53   64   68   74   98  104  105  106  106  107  108  108 
LCS_GDT     E   108_C     E   108_C      3    4  108      3    3    3   14   15   18   19   21   23   31   63   64   82   94  102  106  106  107  108  108 
LCS_GDT     G   109_C     G   109_C      3    4  108      3    3    3    8   20   23   24   32   53   64   68   74   96  104  105  106  106  107  108  108 
LCS_AVERAGE  LCS_A:  50.00  (  19.67   30.33  100.00 )

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     17     23     26     28     37     45     57     60     65     83     92     98    101    104    105    106    106    107    108    108 
GDT PERCENT_AT  15.74  21.30  24.07  25.93  34.26  41.67  52.78  55.56  60.19  76.85  85.19  90.74  93.52  96.30  97.22  98.15  98.15  99.07 100.00 100.00
GDT RMS_LOCAL    0.32   0.57   0.69   1.11   1.81   2.21   2.53   2.66   3.71   3.98   4.13   4.30   4.40   4.53   4.59   4.63   4.63   4.70   4.79   4.79
GDT RMS_ALL_AT  15.27   7.60   7.52   7.94   6.65   6.76   6.46   6.27   5.21   5.05   4.94   4.87   4.83   4.80   4.80   4.80   4.80   4.80   4.79   4.79

# Checking swapping
#   possible swapping detected:  E    23_C      E    23_C
#   possible swapping detected:  E    26_C      E    26_C
#   possible swapping detected:  E    55_C      E    55_C
#   possible swapping detected:  E    57_C      E    57_C
#   possible swapping detected:  E    61_C      E    61_C
#   possible swapping detected:  E    64_C      E    64_C
#   possible swapping detected:  F    77_C      F    77_C
#   possible swapping detected:  E    81_C      E    81_C
#   possible swapping detected:  Y    82_C      Y    82_C
#   possible swapping detected:  E    87_C      E    87_C
#   possible swapping detected:  E    90_C      E    90_C
#   possible swapping detected:  E    91_C      E    91_C
#   possible swapping detected:  E    93_C      E    93_C
#   possible swapping detected:  E    98_C      E    98_C
#   possible swapping detected:  E   104_C      E   104_C
#   possible swapping detected:  E   105_C      E   105_C
#   possible swapping detected:  E   108_C      E   108_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     2_C      L     2_C    13.411     0    0.592   1.264    16.245    0.000    0.000
LGA    P     3_C      P     3_C     9.658     0    0.621   0.650    10.427    1.667    2.109
LGA    D     4_C      D     4_C     8.756     0    0.090   0.138     9.214    2.143    3.274
LGA    E     5_C      E     5_C    10.213     0    0.061   0.915    14.266    0.357    0.159
LGA    E     6_C      E     6_C     9.113     0    0.071   1.284    10.712    2.143    2.275
LGA    K     7_C      K     7_C     8.460     0    0.026   0.754     8.732    3.810    6.243
LGA    L     8_C      L     8_C     9.120     0    0.038   1.384     9.621    1.786    3.690
LGA    K     9_C      K     9_C     9.545     0    0.040   1.104    14.297    1.190    0.582
LGA    L    10_C      L    10_C     8.343     0    0.073   1.262     9.509    4.286    3.869
LGA    L    11_C      L    11_C     8.511     0    0.039   0.345     8.968    3.333    3.869
LGA    D    12_C      D    12_C     9.158     0    0.031   0.918    12.534    1.786    1.071
LGA    T    13_C      T    13_C     8.929     0    0.027   0.088     9.016    2.500    2.245
LGA    L    14_C      L    14_C     8.368     0    0.027   0.058     8.563    4.286    5.119
LGA    L    15_C      L    15_C     8.813     0    0.026   0.296     9.184    2.143    2.381
LGA    T    16_C      T    16_C     9.387     0    0.026   0.068     9.958    1.429    1.020
LGA    M    17_C      M    17_C     8.665     0    0.069   0.911     9.938    2.857    2.440
LGA    V    18_C      V    18_C     8.577     0    0.062   1.002    10.303    2.857    3.946
LGA    E    19_C      E    19_C     8.992     0    0.037   0.725     9.243    2.143    3.545
LGA    W    20_C      W    20_C     9.543     0    0.059   1.540     9.787    1.190   10.068
LGA    V    21_C      V    21_C     8.779     0    0.044   0.167     9.017    2.500    2.925
LGA    K    22_C      K    22_C     8.638     0    0.038   0.969    11.841    2.857    1.746
LGA    E    23_C      E    23_C     9.499     0    0.044   1.032    12.889    0.952    0.635
LGA    L    24_C      L    24_C     9.280     0    0.059   0.291     9.413    1.786    1.786
LGA    L    25_C      L    25_C     8.711     0    0.024   1.415    10.549    2.143    1.488
LGA    E    26_C      E    26_C    10.670     0    0.025   0.805    12.621    0.000    0.000
LGA    E    27_C      E    27_C    10.379     0    0.144   0.190    11.568    0.476    0.212
LGA    S    28_C      S    28_C     8.774     0    0.571   0.747     9.758    2.262    1.825
LGA    V    29_C      V    29_C    10.609     0    0.678   0.739    13.840    0.476    0.272
LGA    E    30_C      E    30_C    13.363     0    0.063   0.751    22.304    0.000    0.000
LGA    K    31_C      K    31_C     8.888     0    0.193   0.961    13.750    8.333    4.233
LGA    N    32_C      N    32_C     3.878     0    0.370   1.476     5.676   42.976   41.071
LGA    S    33_C      S    33_C     3.158     0    0.624   0.739     5.819   55.476   44.127
LGA    R    34_C      R    34_C     2.987     0    0.089   0.962    11.914   62.976   28.485
LGA    M    35_C      M    35_C     2.922     0    0.044   0.963     9.823   62.976   37.917
LGA    R    36_C      R    36_C     3.095     0    0.051   1.615    15.383   59.167   25.411
LGA    H    37_C      H    37_C     3.052     0    0.044   1.196    10.602   59.167   29.714
LGA    I    38_C      I    38_C     2.953     0    0.026   1.068     7.932   60.952   39.821
LGA    R    39_C      R    39_C     2.996     0    0.041   1.368     6.355   60.952   40.476
LGA    A    40_C      A    40_C     2.972     0    0.015   0.038     4.510   60.952   55.048
LGA    V    41_C      V    41_C     2.875     0    0.034   1.218     6.661   64.881   48.776
LGA    M    42_C      M    42_C     3.110     0    0.030   1.097     6.053   59.167   42.440
LGA    W    43_C      W    43_C     3.432     0    0.051   1.419    13.723   59.167   19.966
LGA    A    44_C      A    44_C     2.677     0    0.032   0.039     3.992   66.905   62.190
LGA    E    45_C      E    45_C     2.529     0    0.040   0.128     7.327   66.905   41.958
LGA    Y    46_C      Y    46_C     2.972     0    0.023   1.234     8.391   60.952   33.770
LGA    M    47_C      M    47_C     2.741     0    0.032   1.058     7.005   60.952   43.750
LGA    L    48_C      L    48_C     2.180     0    0.048   1.014     7.676   75.119   49.048
LGA    E    49_C      E    49_C     2.409     0    0.045   0.914     6.529   68.929   45.344
LGA    I    50_C      I    50_C     3.366     0    0.050   0.125     7.385   57.262   38.631
LGA    A    51_C      A    51_C     3.070     0    0.092   0.090     4.184   61.071   56.286
LGA    R    52_C      R    52_C     1.926     0    0.108   0.825     8.052   77.143   43.117
LGA    S    53_C      S    53_C     1.953     0    0.261   0.753     3.166   79.286   71.984
LGA    L    54_C      L    54_C     1.330     0    0.685   1.421     5.615   69.762   58.571
LGA    E    55_C      E    55_C     0.741     0    0.358   0.947     3.168   85.952   77.143
LGA    D    56_C      D    56_C     2.263     0    0.034   1.136     4.518   68.810   60.714
LGA    E    57_C      E    57_C     2.916     0    0.039   1.477     3.632   57.143   61.005
LGA    K    58_C      K    58_C     3.090     0    0.074   1.124     7.218   53.571   44.497
LGA    I    59_C      I    59_C     2.592     0    0.044   0.953     3.694   60.952   58.274
LGA    L    60_C      L    60_C     1.713     0    0.033   0.264     2.059   70.833   73.988
LGA    E    61_C      E    61_C     2.571     0    0.042   0.689     5.224   62.857   53.228
LGA    I    62_C      I    62_C     2.273     0    0.082   0.278     2.419   64.762   64.762
LGA    A    63_C      A    63_C     1.366     0    0.030   0.043     1.766   79.286   79.714
LGA    E    64_C      E    64_C     1.800     0    0.023   0.580     2.332   68.810   67.460
LGA    K    65_C      K    65_C     2.739     0    0.049   0.823     3.409   62.857   59.788
LGA    L    66_C      L    66_C     1.489     0    0.046   0.996     2.914   79.286   76.250
LGA    E    67_C      E    67_C     1.142     0    0.055   0.893     2.722   77.143   74.021
LGA    K    68_C      K    68_C     2.520     0    0.071   1.125     8.238   59.286   41.799
LGA    A    69_C      A    69_C     2.216     0    0.220   0.223     2.664   64.881   64.857
LGA    L    70_C      L    70_C     1.275     0    0.569   0.997     4.647   71.429   65.952
LGA    P    71_C      P    71_C     2.996     0    0.270   0.437     6.298   59.286   43.878
LGA    E    72_C      E    72_C     3.121     0    0.206   0.899     9.275   56.190   32.328
LGA    K    73_C      K    73_C     6.046     0    0.048   1.097     9.371   18.810   10.476
LGA    S    74_C      S    74_C     8.496     0    0.695   0.897    11.891    7.976    5.397
LGA    K    75_C      K    75_C     6.448     0    0.492   1.147     8.898    9.286   12.857
LGA    M    76_C      M    76_C     9.281     0    0.594   1.270    16.909    7.143    3.571
LGA    F    77_C      F    77_C     5.030     0    0.058   0.884     7.406   25.714   21.818
LGA    T    78_C      T    78_C     3.089     0    0.070   1.087     5.492   51.905   49.796
LGA    K    79_C      K    79_C     2.465     0    0.092   0.901     4.222   66.786   58.624
LGA    E    80_C      E    80_C     1.417     0    0.089   1.017     5.097   75.000   61.164
LGA    E    81_C      E    81_C     2.754     0    0.046   0.659     4.649   59.048   52.857
LGA    Y    82_C      Y    82_C     2.480     0    0.035   1.484    11.619   68.810   35.556
LGA    E    83_C      E    83_C     1.290     0    0.049   0.733     2.798   79.286   73.122
LGA    K    84_C      K    84_C     2.201     0    0.047   1.360     3.287   64.881   67.143
LGA    L    85_C      L    85_C     2.586     0    0.059   0.463     4.494   62.857   53.214
LGA    M    86_C      M    86_C     1.489     0    0.049   1.474     4.501   75.000   66.786
LGA    E    87_C      E    87_C     2.401     0    0.063   1.086     7.985   66.786   42.434
LGA    V    88_C      V    88_C     2.643     0    0.059   1.126     3.677   60.952   55.306
LGA    L    89_C      L    89_C     1.968     0    0.042   0.132     3.568   70.833   62.321
LGA    E    90_C      E    90_C     1.860     0    0.030   0.914     2.774   68.810   70.423
LGA    E    91_C      E    91_C     3.140     0    0.048   0.644     4.175   50.119   46.402
LGA    L    92_C      L    92_C     3.206     0    0.045   1.430     6.396   51.786   47.798
LGA    E    93_C      E    93_C     2.020     0    0.050   0.797     2.705   60.952   71.534
LGA    E    94_C      E    94_C     3.699     0    0.045   0.964     5.730   42.262   34.603
LGA    V    95_C      V    95_C     4.958     0    0.055   1.197     5.732   29.048   27.143
LGA    L    96_C      L    96_C     4.282     0    0.045   0.277     4.597   35.714   39.583
LGA    E    97_C      E    97_C     4.528     0    0.024   1.176     6.263   27.857   27.196
LGA    E    98_C      E    98_C     7.073     0    0.059   0.648     7.825   11.071   12.593
LGA    K    99_C      K    99_C     7.156     0    0.054   0.596     7.818   10.952    9.841
LGA    K   100_C      K   100_C     5.984     0    0.034   0.262     6.766   16.310   21.799
LGA    E   101_C      E   101_C     7.833     0    0.038   0.807    11.110    6.190    4.180
LGA    E   102_C      E   102_C     9.514     0    0.024   0.809    13.358    1.310    0.635
LGA    V   103_C      V   103_C     7.974     0    0.041   0.956     8.448    6.548    6.871
LGA    E   104_C      E   104_C     6.952     0    0.069   0.651     7.848   10.119   10.899
LGA    E   105_C      E   105_C    10.024     0    0.026   0.918    11.874    0.714    0.476
LGA    R   106_C      R   106_C    10.990     0    0.603   1.565    15.242    1.071    0.390
LGA    I   107_C      I   107_C     8.365     0    0.676   0.756     9.845    3.690    2.500
LGA    E   108_C      E   108_C     6.420     0    0.420   1.011    11.722   19.405   10.159
LGA    G   109_C      G   109_C     9.172     0    0.059   0.059    12.494    1.548    1.548

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      108     432    432  100.00     908    908  100.00               108
SUMMARY(RMSD_GDC):     4.793          4.683                  5.844           37.469   31.015

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  115  108    4.0     60    2.66    50.231    48.304     2.174

LGA_LOCAL      RMSD:   2.660  Number of atoms:   60  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.270  Number of assigned atoms:  108 
Std_ASGN_ATOMS RMSD:   4.793  Standard rmsd on all 108 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.312498 * X  +  -0.759327 * Y  +  -0.570761 * Z  +  12.130424
  Y_new =   0.416930 * X  +   0.430245 * Y  +  -0.800662 * Z  +  -0.815781
  Z_new =   0.853531 * X  +  -0.488172 * Y  +   0.182136 * Z  +   7.216372 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.213990 -1.022724 -1.213695   [DEG:  126.8523  -58.5978  -69.5396 ]
ZXZ: -0.619306  1.387638  2.090332   [DEG:  -35.4836   79.5058  119.7672 ]
 
# END of job
