
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  138 ( 1163),  selected  106 , name one
# Molecule2: number of CA atoms  106 (  891),  selected  106 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   106      12_A - 117_A       4.51     4.51
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    93      15_A - 107_A       1.98     5.08
  LCS_AVERAGE:     79.82

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    42      15_A - 56_A        0.95     5.35
  LCS_AVERAGE:     24.93

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  106
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     Q    12_A     Q    12_A      4    4  106      3    4    4    7    9   10   12   17   22   24   44   54   60   64   73   80   84   86   89   95 
LCS_GDT     D    13_A     D    13_A      4   54  106      3    4    4    4   13   16   24   60   72   83   88   90   95   97   99  102  103  103  103  103 
LCS_GDT     P    14_A     P    14_A      4   58  106      3    4    4   25   40   50   57   73   83   86   91   94   96   99  100  102  103  103  103  103 
LCS_GDT     G    15_A     G    15_A     42   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     I    16_A     I    16_A     42   93  106      4   32   60   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     N    17_A     N    17_A     42   93  106     20   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     R    18_A     R    18_A     42   93  106     19   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     K    19_A     K    19_A     42   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     A    20_A     A    20_A     42   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     I    21_A     I    21_A     42   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     42   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     F    23_A     F    23_A     42   93  106     17   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     D    24_A     D    24_A     42   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     L    25_A     L    25_A     42   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     S    26_A     S    26_A     42   93  106     15   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     T    27_A     T    27_A     42   93  106      8   49   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     K    28_A     K    28_A     42   93  106     15   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     S    29_A     S    29_A     42   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     L    30_A     L    30_A     42   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     E    31_A     E    31_A     42   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     K    32_A     K    32_A     42   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     Y    33_A     Y    33_A     42   93  106      3   26   58   67   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     F    34_A     F    34_A     42   93  106      3    4   55   67   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     42   93  106      3    3   18   59   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     D    36_A     D    36_A     42   93  106     16   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     T    37_A     T    37_A     42   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     R    38_A     R    38_A     42   93  106     10   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     E    39_A     E    39_A     42   93  106      9   54   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     P    40_A     P    40_A     42   93  106     15   52   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     Y    41_A     Y    41_A     42   93  106     15   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     S    42_A     S    42_A     42   93  106     24   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     L    43_A     L    43_A     42   93  106     24   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     I    44_A     I    44_A     42   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     K    45_A     K    45_A     42   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     K    46_A     K    46_A     42   93  106     17   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     F    47_A     F    47_A     42   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     M    48_A     M    48_A     42   93  106     19   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     L    49_A     L    49_A     42   93  106     19   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     E    50_A     E    50_A     42   93  106     19   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     N    51_A     N    51_A     42   93  106     19   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     G    52_A     G    52_A     42   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     F    53_A     F    53_A     42   93  106     19   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     E    54_A     E    54_A     42   93  106     24   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     H    55_A     H    55_A     42   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     R    56_A     R    56_A     42   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     Q    57_A     Q    57_A     41   93  106      4   28   59   67   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     Y    58_A     Y    58_A     23   93  106      3    6   28   47   64   80   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     S    59_A     S    59_A     22   93  106      3    3   28   47   70   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     G    60_A     G    60_A     19   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     Y    61_A     Y    61_A     19   93  106     17   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     T    62_A     T    62_A     19   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     S    63_A     S    63_A     19   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     K    64_A     K    64_A      6   93  106      3    8   18   57   72   79   85   92   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     E    65_A     E    65_A      6   93  106     16   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     P    66_A     P    66_A      3   93  106      3   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     I    67_A     I    67_A      3   93  106      3    4    7   14   19   38   83   91   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     N    68_A     N    68_A     17   93  106      9   15   16   58   74   78   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     E    69_A     E    69_A     17   93  106     13   15   16   17   26   33   56   88   94   97   97   98   98   98  100  102  103  103  103  103 
LCS_GDT     R    70_A     R    70_A     17   93  106     13   15   16   31   49   78   86   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     R    71_A     R    71_A     17   93  106     13   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     V    72_A     V    72_A     17   93  106     13   15   26   59   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     I    73_A     I    73_A     17   93  106     13   15   16   37   46   78   86   92   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     17   93  106     13   15   23   65   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     I    75_A     I    75_A     17   93  106     13   36   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     I    76_A     I    76_A     17   93  106     13   21   44   65   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     N    77_A     N    77_A     17   93  106     13   15   16   17   46   79   86   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     K    78_A     K    78_A     17   93  106     13   15   29   62   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     L    79_A     L    79_A     17   93  106     13   28   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     T    80_A     T    80_A     17   93  106     13   15   40   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     17   93  106     13   15   16   17   52   78   85   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     K    82_A     K    82_A     17   93  106      4   15   46   65   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     F    83_A     F    83_A     20   93  106     13   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     T    84_A     T    84_A     20   93  106     11   21   58   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     W    85_A     W    85_A     20   93  106      7   44   61   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     L    86_A     L    86_A     20   93  106      7   37   60   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     G    87_A     G    87_A     20   93  106      7   27   60   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     E    88_A     E    88_A     20   93  106     17   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     C    89_A     C    89_A     20   93  106     24   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     V    90_A     V    90_A     20   93  106     24   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     K    91_A     K    91_A     20   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     E    92_A     E    92_A     20   93  106     18   54   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     F    93_A     F    93_A     20   93  106     24   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     D    94_A     D    94_A     20   93  106     24   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     I    95_A     I    95_A     20   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     20   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     E    97_A     E    97_A     20   93  106     25   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     I    98_A     I    98_A     20   93  106     19   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     G    99_A     G    99_A     20   93  106     15   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     E   100_A     E   100_A     20   93  106     10   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     Q   101_A     Q   101_A     20   93  106     10   55   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     Y   102_A     Y   102_A     20   93  106     10   38   62   68   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     S   103_A     S   103_A     19   93  106      6   22   47   67   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     L   104_A     L   104_A     19   93  106      3   11   32   64   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     K   105_A     K   105_A     19   93  106      3   11   29   50   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     19   93  106      5   10   28   41   71   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     T   107_A     T   107_A     19   93  106      5   17   32   61   74   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     I   108_A     I   108_A     19   34  106      5   13   28   41   64   82   87   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     Q   109_A     Q   109_A     19   32  106      5   10   20   30   45   64   85   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     D   110_A     D   110_A     19   32  106      5   11   24   33   55   73   86   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     L   111_A     L   111_A      9   30  106      4    9   19   31   52   69   83   93   96   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     C   112_A     C   112_A      9   27  106      4    6   13   21   32   41   61   76   94   97   97   98   98   99  100  102  103  103  103  103 
LCS_GDT     A   113_A     A   113_A      4   23  106      4    4    4    7   10   12   16   27   36   42   61   69   92   99  100  102  103  103  103  103 
LCS_GDT     K   114_A     K   114_A      4   11  106      3    4    4    4    6    7   10   15   25   41   56   66   90   99  100  102  103  103  103  103 
LCS_GDT     D   115_A     D   115_A      4    5  106      3    4    4    4    5   10   15   19   25   34   42   60   76   82  100  102  103  103  103  103 
LCS_GDT     F   116_A     F   116_A      4    5  106      3    4    4    4    4    5    9   10   14   18   20   21   23   23   36   37   37   40   50   64 
LCS_GDT     H   117_A     H   117_A      4    5  106      3    4    4    4    4    5    9   12   14   18   20   21   23   23   25   25   25   26   27   28 
LCS_AVERAGE  LCS_A:  68.25  (  24.93   79.82  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     25     55     62     68     74     82     87     93     96     97     97     98     98     99    100    102    103    103    103    103 
GDT PERCENT_AT  23.58  51.89  58.49  64.15  69.81  77.36  82.08  87.74  90.57  91.51  91.51  92.45  92.45  93.40  94.34  96.23  97.17  97.17  97.17  97.17
GDT RMS_LOCAL    0.38   0.67   0.78   0.94   1.15   1.49   1.71   2.08   2.17   2.24   2.24   2.34   2.34   2.66   2.82   3.16   3.30   3.30   3.30   3.30
GDT RMS_ALL_AT   5.54   5.39   5.36   5.41   5.44   5.08   5.01   4.80   4.82   4.84   4.84   4.78   4.78   4.70   4.66   4.60   4.59   4.59   4.59   4.59

# Checking swapping
#   possible swapping detected:  D    13_A      D    13_A
#   possible swapping detected:  F    23_A      F    23_A
#   possible swapping detected:  Y    41_A      Y    41_A
#   possible swapping detected:  F    47_A      F    47_A
#   possible swapping detected:  Y    58_A      Y    58_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  F    83_A      F    83_A
#   possible swapping detected:  E    92_A      E    92_A
#   possible swapping detected:  F    93_A      F    93_A
#   possible swapping detected:  E    97_A      E    97_A
#   possible swapping detected:  E   100_A      E   100_A
#   possible swapping detected:  D   115_A      D   115_A
#   possible swapping detected:  F   116_A      F   116_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    12_A      Q    12_A    17.835     0    0.414   1.083    19.802    0.000    0.000
LGA    D    13_A      D    13_A    10.487     0    0.062   0.957    13.030    1.071    1.190
LGA    P    14_A      P    14_A     8.573     0    0.686   0.579    11.454    8.452    4.830
LGA    G    15_A      G    15_A     1.513     0    0.687   0.687     3.694   74.286   74.286
LGA    I    16_A      I    16_A     1.741     0    0.062   0.647     5.008   77.381   56.786
LGA    N    17_A      N    17_A     0.966     0    0.051   0.971     2.149   88.214   79.583
LGA    R    18_A      R    18_A     1.193     0    0.031   1.227     5.595   81.429   67.836
LGA    K    19_A      K    19_A     0.961     0    0.027   0.702     3.289   88.214   82.963
LGA    A    20_A      A    20_A     0.742     0    0.099   0.115     0.853   90.476   90.476
LGA    I    21_A      I    21_A     0.658     0    0.020   1.020     2.236   90.476   82.857
LGA    N    22_A      N    22_A     0.789     0    0.010   1.103     4.546   88.214   71.607
LGA    F    23_A      F    23_A     0.786     0    0.033   0.247     1.582   90.476   86.450
LGA    D    24_A      D    24_A     0.639     0    0.021   0.328     1.213   92.857   87.143
LGA    L    25_A      L    25_A     0.193     0    0.029   0.078     1.958   92.976   87.262
LGA    S    26_A      S    26_A     1.025     0    0.055   0.557     2.419   83.690   80.159
LGA    T    27_A      T    27_A     1.596     0    0.030   1.123     4.593   79.286   70.612
LGA    K    28_A      K    28_A     0.995     0    0.028   0.850     1.831   88.214   84.550
LGA    S    29_A      S    29_A     0.376     0    0.057   0.144     1.177   92.976   93.730
LGA    L    30_A      L    30_A     0.882     0    0.041   1.381     3.630   85.952   75.893
LGA    E    31_A      E    31_A     1.188     0    0.181   0.273     2.000   81.429   80.635
LGA    K    32_A      K    32_A     1.268     0    0.098   1.305     8.810   79.286   51.376
LGA    Y    33_A      Y    33_A     1.939     0    0.142   0.284     2.715   75.000   67.540
LGA    F    34_A      F    34_A     2.017     0    0.054   0.986     3.122   64.881   65.887
LGA    K    35_A      K    35_A     2.691     0    0.654   0.750     7.540   55.952   38.519
LGA    D    36_A      D    36_A     0.610     0    0.286   0.963     3.142   88.214   77.738
LGA    T    37_A      T    37_A     1.388     0    0.199   1.146     4.367   81.429   71.497
LGA    R    38_A      R    38_A     1.573     0    0.117   1.000     6.744   75.000   53.160
LGA    E    39_A      E    39_A     2.064     0    0.066   1.136     6.582   70.833   49.577
LGA    P    40_A      P    40_A     1.891     0    0.048   0.334     1.990   72.857   72.857
LGA    Y    41_A      Y    41_A     1.453     0    0.063   0.392     1.944   81.548   80.833
LGA    S    42_A      S    42_A     1.797     0    0.075   0.607     2.611   72.857   70.238
LGA    L    43_A      L    43_A     1.794     0    0.040   0.111     2.714   75.000   68.988
LGA    I    44_A      I    44_A     1.147     0    0.034   0.130     2.186   85.952   81.667
LGA    K    45_A      K    45_A     1.159     0    0.029   0.949     2.777   81.429   73.228
LGA    K    46_A      K    46_A     1.615     0    0.031   1.236     5.527   79.286   67.672
LGA    F    47_A      F    47_A     0.836     0    0.054   0.407     3.875   90.595   72.035
LGA    M    48_A      M    48_A     0.601     0    0.042   0.777     2.390   90.476   86.131
LGA    L    49_A      L    49_A     1.058     0    0.058   0.258     1.609   81.548   87.202
LGA    E    50_A      E    50_A     1.237     0    0.105   0.196     1.788   79.286   79.524
LGA    N    51_A      N    51_A     1.186     0    0.244   0.981     3.972   85.952   73.690
LGA    G    52_A      G    52_A     1.010     0    0.074   0.074     1.092   83.690   83.690
LGA    F    53_A      F    53_A     1.186     0    0.097   0.216     1.639   79.286   83.939
LGA    E    54_A      E    54_A     1.167     0    0.021   0.668     2.492   81.429   79.577
LGA    H    55_A      H    55_A     1.051     0    0.020   1.144     2.763   81.429   75.667
LGA    R    56_A      R    56_A     1.419     0    0.089   1.374     5.700   73.095   59.437
LGA    Q    57_A      Q    57_A     3.189     0    0.624   1.115     6.378   44.167   33.915
LGA    Y    58_A      Y    58_A     3.528     0    0.528   1.126    11.257   50.119   25.635
LGA    S    59_A      S    59_A     2.976     0    0.223   0.265     4.896   50.238   44.921
LGA    G    60_A      G    60_A     1.259     0    0.171   0.171     1.582   79.286   79.286
LGA    Y    61_A      Y    61_A     1.191     0    0.117   0.199     1.325   81.429   82.183
LGA    T    62_A      T    62_A     1.095     0    0.027   1.206     3.097   81.429   76.939
LGA    S    63_A      S    63_A     0.835     0    0.085   0.609     2.869   75.714   75.079
LGA    K    64_A      K    64_A     3.897     0    0.402   0.998     7.227   55.595   33.333
LGA    E    65_A      E    65_A     1.212     0    0.670   1.041     4.655   65.595   55.767
LGA    P    66_A      P    66_A     1.313     0    0.312   0.432     3.973   65.833   68.912
LGA    I    67_A      I    67_A     4.486     0    0.080   1.049     8.799   37.619   22.440
LGA    N    68_A      N    68_A     3.707     0    0.559   1.205     6.545   43.452   34.583
LGA    E    69_A      E    69_A     5.922     0    0.051   0.857     9.838   26.310   15.291
LGA    R    70_A      R    70_A     4.189     0    0.093   1.098     8.777   47.143   29.264
LGA    R    71_A      R    71_A     0.720     0    0.075   1.047     6.397   83.810   60.996
LGA    V    72_A      V    72_A     3.555     0    0.059   0.153     6.323   50.119   37.891
LGA    I    73_A      I    73_A     4.179     0    0.106   0.447     6.511   43.452   32.738
LGA    R    74_A      R    74_A     2.423     0    0.046   0.915     4.321   70.952   57.143
LGA    I    75_A      I    75_A     1.438     0    0.024   1.261     5.542   83.690   68.988
LGA    I    76_A      I    76_A     3.203     0    0.048   1.167     4.811   57.262   46.667
LGA    N    77_A      N    77_A     3.707     0    0.071   0.904     6.018   51.905   41.369
LGA    K    78_A      K    78_A     2.486     0    0.037   0.432     9.095   66.786   42.063
LGA    L    79_A      L    79_A     1.708     0    0.044   1.463     7.862   81.548   53.274
LGA    T    80_A      T    80_A     2.909     0    0.033   1.132     6.061   61.071   51.905
LGA    K    81_A      K    81_A     3.540     0    0.042   0.927     5.280   48.452   40.370
LGA    K    82_A      K    82_A     2.292     0    0.069   0.904     6.385   66.786   47.831
LGA    F    83_A      F    83_A     0.279     0    0.158   0.407     2.499   92.857   81.818
LGA    T    84_A      T    84_A     2.504     0    0.219   1.157     6.009   61.071   50.680
LGA    W    85_A      W    85_A     2.614     0    0.182   0.255     2.692   64.881   64.252
LGA    L    86_A      L    86_A     2.478     0    0.039   1.110     2.869   62.857   63.869
LGA    G    87_A      G    87_A     2.728     0    0.057   0.057     2.728   60.952   60.952
LGA    E    88_A      E    88_A     1.542     0    0.028   0.403     2.407   75.119   76.032
LGA    C    89_A      C    89_A     1.053     0    0.154   0.790     3.933   88.333   79.683
LGA    V    90_A      V    90_A     0.821     0    0.040   1.188     3.731   85.952   76.395
LGA    K    91_A      K    91_A     0.875     0    0.069   0.794     3.253   83.810   74.497
LGA    E    92_A      E    92_A     1.601     0    0.025   1.093     2.320   81.548   76.931
LGA    F    93_A      F    93_A     1.072     0    0.119   0.399     1.414   83.690   86.364
LGA    D    94_A      D    94_A     1.236     0    0.083   0.100     1.779   83.690   79.345
LGA    I    95_A      I    95_A     0.622     0    0.115   0.942     2.205   90.476   81.845
LGA    T    96_A      T    96_A     1.020     0    0.101   1.049     2.854   83.690   76.871
LGA    E    97_A      E    97_A     0.910     0    0.053   1.160     5.041   85.952   73.704
LGA    I    98_A      I    98_A     1.219     0    0.019   1.066     2.749   88.214   78.571
LGA    G    99_A      G    99_A     0.887     0    0.072   0.072     1.169   85.952   85.952
LGA    E   100_A      E   100_A     1.003     0    0.029   1.157     5.178   83.690   64.656
LGA    Q   101_A      Q   101_A     1.204     0    0.106   1.105     3.407   81.429   72.381
LGA    Y   102_A      Y   102_A     0.947     0    0.080   1.160     8.306   85.952   56.429
LGA    S   103_A      S   103_A     1.727     0    0.058   0.085     2.194   75.000   72.937
LGA    L   104_A      L   104_A     2.392     0    0.168   0.991     5.724   64.762   52.381
LGA    K   105_A      K   105_A     2.751     0    0.102   1.259     9.711   53.571   35.503
LGA    E   106_A      E   106_A     3.233     0    0.091   0.951     7.188   50.119   34.709
LGA    T   107_A      T   107_A     2.604     0    0.035   1.093     4.071   51.905   53.537
LGA    I   108_A      I   108_A     3.505     0    0.056   1.447     5.167   40.476   37.679
LGA    Q   109_A      Q   109_A     4.833     0    0.054   0.696     5.652   30.357   35.556
LGA    D   110_A      D   110_A     4.739     0    0.630   0.708     6.663   27.024   34.464
LGA    L   111_A      L   111_A     6.403     0    0.061   1.154     8.297   14.167   15.000
LGA    C   112_A      C   112_A     7.214     0    0.508   0.904     8.425    9.762    9.921
LGA    A   113_A      A   113_A    11.321     0    0.110   0.106    12.904    0.119    0.095
LGA    K   114_A      K   114_A    12.548     0    0.491   1.229    14.712    0.000    0.000
LGA    D   115_A      D   115_A    13.274     0    0.123   1.031    17.205    0.000    0.000
LGA    F   116_A      F   116_A    20.172     0    0.621   1.502    29.232    0.000    0.000
LGA    H   117_A      H   117_A    23.070     0    0.157   1.322    28.805    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      106     424    424  100.00     891    891  100.00               106
SUMMARY(RMSD_GDC):     4.507          4.445                  5.349           66.411   58.795

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  138  106    4.0     93    2.08    75.000    78.405     4.268

LGA_LOCAL      RMSD:   2.079  Number of atoms:   93  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.802  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   4.507  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.636826 * X  +  -0.768910 * Y  +  -0.056845 * Z  + -24.152845
  Y_new =  -0.436291 * X  +  -0.420168 * Y  +   0.795681 * Z  + -42.575047
  Z_new =  -0.635691 * X  +  -0.481909 * Y  +  -0.603042 * Z  +  53.170090 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.600658  0.688904 -2.467382   [DEG:  -34.4151   39.4713 -141.3706 ]
ZXZ: -3.070272  2.218106 -2.219453   [DEG: -175.9136  127.0881 -127.1653 ]
 
# END of job
