
#######################################################
#                                                     #
#                        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       3.87     3.87
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    92      16_A - 107_A       1.96     4.35
  LONGEST_CONTINUOUS_SEGMENT:    92      17_A - 108_A       1.99     4.24
  LCS_AVERAGE:     79.13

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    42      17_A - 58_A        0.99     5.21
  LCS_AVERAGE:     31.56

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    4    6   11   13   31   47   60   68   81   87   91   92   93   94   94   96  101 
LCS_GDT     D    13_A     D    13_A      4    5  106      3    4    4    4    6   10   13   31   47   60   74   83   89   91   92   93   94   94  100  103 
LCS_GDT     P    14_A     P    14_A      4   86  106      3    4    4    4    6    7   10   12   22   44   68   81   85   91   92   93   94   94  100  103 
LCS_GDT     G    15_A     G    15_A      4   91  106      3    4    4    4   14   22   31   53   73   87   88   89   89   91   92   95  100  101  103  103 
LCS_GDT     I    16_A     I    16_A      3   92  106      3    4    5   19   24   47   81   85   88   88   90   91   94   98  101  102  102  102  103  103 
LCS_GDT     N    17_A     N    17_A     42   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     R    18_A     R    18_A     42   92  106     26   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     K    19_A     K    19_A     42   92  106      3   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     A    20_A     A    20_A     42   92  106      6   57   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     I    21_A     I    21_A     42   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     N    22_A     N    22_A     42   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     F    23_A     F    23_A     42   92  106     18   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     D    24_A     D    24_A     42   92  106     16   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     L    25_A     L    25_A     42   92  106     15   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     S    26_A     S    26_A     42   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     T    27_A     T    27_A     42   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     K    28_A     K    28_A     42   92  106     27   60   77   81   84   85   86   90   92   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     S    29_A     S    29_A     42   92  106     27   60   77   81   84   85   88   90   92   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     L    30_A     L    30_A     42   92  106     26   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     E    31_A     E    31_A     42   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     K    32_A     K    32_A     42   92  106     26   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     Y    33_A     Y    33_A     42   92  106     18   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     F    34_A     F    34_A     42   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     K    35_A     K    35_A     42   92  106     26   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     D    36_A     D    36_A     42   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     T    37_A     T    37_A     42   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     R    38_A     R    38_A     42   92  106     25   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     E    39_A     E    39_A     42   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     P    40_A     P    40_A     42   92  106     19   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     Y    41_A     Y    41_A     42   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     S    42_A     S    42_A     42   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     L    43_A     L    43_A     42   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     I    44_A     I    44_A     42   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     K    45_A     K    45_A     42   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     K    46_A     K    46_A     42   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     F    47_A     F    47_A     42   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     M    48_A     M    48_A     42   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     L    49_A     L    49_A     42   92  106     23   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     E    50_A     E    50_A     42   92  106     15   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     N    51_A     N    51_A     42   92  106     19   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     G    52_A     G    52_A     42   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     F    53_A     F    53_A     42   92  106     21   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     E    54_A     E    54_A     42   92  106     18   36   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     H    55_A     H    55_A     42   92  106     21   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     R    56_A     R    56_A     42   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     Q    57_A     Q    57_A     42   92  106      3    5   22   72   80   82   85   87   88   89   92   97   99  100  101  102  102  102  103  103 
LCS_GDT     Y    58_A     Y    58_A     42   92  106      3    7   15   28   54   81   83   87   88   88   91   95   99   99  101  102  102  102  103  103 
LCS_GDT     S    59_A     S    59_A      7   92  106      3    7   15   28   54   81   83   87   88   88   92   97   99  100  101  102  102  102  103  103 
LCS_GDT     G    60_A     G    60_A     39   92  106      4   31   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     Y    61_A     Y    61_A     39   92  106     26   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     T    62_A     T    62_A     39   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     S    63_A     S    63_A     39   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     K    64_A     K    64_A     39   92  106     21   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     E    65_A     E    65_A     39   92  106     21   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     P    66_A     P    66_A     39   92  106      4   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     I    67_A     I    67_A     39   92  106     21   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     N    68_A     N    68_A     39   92  106     21   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     E    69_A     E    69_A     39   92  106     21   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     R    70_A     R    70_A     39   92  106     21   56   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     R    71_A     R    71_A     39   92  106     18   56   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     V    72_A     V    72_A     39   92  106     18   59   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     I    73_A     I    73_A     39   92  106     21   58   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     R    74_A     R    74_A     39   92  106     21   48   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     I    75_A     I    75_A     39   92  106     21   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     I    76_A     I    76_A     39   92  106     21   43   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     N    77_A     N    77_A     39   92  106     21   39   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     K    78_A     K    78_A     39   92  106     21   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     L    79_A     L    79_A     39   92  106     21   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     T    80_A     T    80_A     39   92  106     21   48   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     K    81_A     K    81_A     39   92  106     19   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     K    82_A     K    82_A     39   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     F    83_A     F    83_A     39   92  106     16   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     T    84_A     T    84_A     39   92  106     16   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     W    85_A     W    85_A     39   92  106     16   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     L    86_A     L    86_A     39   92  106     16   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     G    87_A     G    87_A     39   92  106      8   49   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     E    88_A     E    88_A     39   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     C    89_A     C    89_A     39   92  106     15   58   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     V    90_A     V    90_A     39   92  106     12   38   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     K    91_A     K    91_A     39   92  106      8   58   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     E    92_A     E    92_A     39   92  106     16   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     F    93_A     F    93_A     39   92  106     19   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     D    94_A     D    94_A     39   92  106     27   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     I    95_A     I    95_A     39   92  106     21   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     T    96_A     T    96_A     39   92  106     21   60   77   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     E    97_A     E    97_A     39   92  106      5   40   76   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     I    98_A     I    98_A     39   92  106      8   40   74   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     G    99_A     G    99_A     21   92  106      3   20   27   41   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     E   100_A     E   100_A      6   92  106      3    5   50   77   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     Q   101_A     Q   101_A     14   92  106      3   32   76   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     Y   102_A     Y   102_A     14   92  106      3   31   69   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     S   103_A     S   103_A     14   92  106      4   28   64   81   84   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     L   104_A     L   104_A     14   92  106      7   12   37   59   79   85   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     K   105_A     K   105_A     14   92  106      7   12   31   48   61   80   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     E   106_A     E   106_A     14   92  106      7   12   31   44   60   78   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     T   107_A     T   107_A     14   92  106      7   12   31   45   60   78   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     I   108_A     I   108_A     14   92  106      7   12   21   44   54   66   81   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     Q   109_A     Q   109_A     14   20  106      7   12   19   39   52   66   79   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     D   110_A     D   110_A     14   20  106      7   12   16   38   52   63   77   88   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     L   111_A     L   111_A     14   20  106      7   12   16   38   50   63   74   85   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     C   112_A     C   112_A     14   20  106      7   12   16   23   50   63   70   84   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     A   113_A     A   113_A     14   20  106      6   12   16   23   50   63   70   84   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     K   114_A     K   114_A     14   20  106      3    4    4   13   17   19   50   61   67   78   94   97   99  100  101  102  102  102  103  103 
LCS_GDT     D   115_A     D   115_A      4   19  106      3    4   25   50   63   80   88   90   93   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     F   116_A     F   116_A      4    5  106      3    4    4    7    8   14   25   87   92   95   96   97   99  100  101  102  102  102  103  103 
LCS_GDT     H   117_A     H   117_A      4    5  106      3    4    4    7    7    8    8   12   20   21   36   49   84  100  101  102  102  102  103  103 
LCS_AVERAGE  LCS_A:  70.23  (  31.56   79.13  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     27     60     77     81     84     85     88     90     93     95     96     97     99    100    101    102    102    102    103    103 
GDT PERCENT_AT  25.47  56.60  72.64  76.42  79.25  80.19  83.02  84.91  87.74  89.62  90.57  91.51  93.40  94.34  95.28  96.23  96.23  96.23  97.17  97.17
GDT RMS_LOCAL    0.37   0.65   0.84   0.96   1.16   1.26   1.79   1.90   2.43   2.42   2.51   2.52   2.68   2.91   2.97   3.05   3.05   3.05   3.21   3.21
GDT RMS_ALL_AT   5.05   4.99   5.02   4.86   4.65   4.55   4.14   4.10   3.96   3.94   3.94   3.94   3.94   3.96   3.95   3.94   3.94   3.94   3.92   3.92

# Checking swapping
#   possible swapping detected:  F    34_A      F    34_A
#   possible swapping detected:  Y    41_A      Y    41_A
#   possible swapping detected:  F    47_A      F    47_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  F    83_A      F    83_A
#   possible swapping detected:  E    88_A      E    88_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    14.056     0    0.307   1.070    18.269    0.000    0.000
LGA    D    13_A      D    13_A    12.712     0    0.343   1.086    13.060    0.119    0.060
LGA    P    14_A      P    14_A    11.991     0    0.469   0.510    15.468    0.000    0.000
LGA    G    15_A      G    15_A    10.027     0    0.634   0.634    10.789    1.429    1.429
LGA    I    16_A      I    16_A     6.895     0    0.616   0.608    11.301   19.048   11.012
LGA    N    17_A      N    17_A     0.830     0    0.585   1.223     3.263   75.833   70.476
LGA    R    18_A      R    18_A     1.237     0    0.197   0.883     3.504   77.262   66.797
LGA    K    19_A      K    19_A     1.022     0    0.077   0.737     3.413   92.976   81.270
LGA    A    20_A      A    20_A     0.627     0    0.056   0.067     1.040   95.238   92.476
LGA    I    21_A      I    21_A     0.634     0    0.056   0.095     0.990   90.476   90.476
LGA    N    22_A      N    22_A     0.720     0    0.021   0.406     1.799   88.214   83.750
LGA    F    23_A      F    23_A     0.785     0    0.059   0.210     0.931   90.476   90.476
LGA    D    24_A      D    24_A     1.195     0    0.037   0.860     2.776   83.690   79.524
LGA    L    25_A      L    25_A     1.331     0    0.007   0.049     1.618   77.143   79.286
LGA    S    26_A      S    26_A     1.926     0    0.060   0.085     2.250   70.833   68.810
LGA    T    27_A      T    27_A     2.071     0    0.033   0.129     2.650   64.762   63.673
LGA    K    28_A      K    28_A     2.483     0    0.007   1.020     8.162   64.762   46.508
LGA    S    29_A      S    29_A     2.140     0    0.047   0.081     2.616   68.810   66.190
LGA    L    30_A      L    30_A     1.528     0    0.075   0.154     1.754   72.857   77.143
LGA    E    31_A      E    31_A     1.807     0    0.076   0.204     2.697   72.857   66.667
LGA    K    32_A      K    32_A     1.764     0    0.040   0.292     2.145   72.857   71.958
LGA    Y    33_A      Y    33_A     1.521     0    0.040   0.224     2.581   77.143   69.603
LGA    F    34_A      F    34_A     1.211     0    0.045   0.111     1.690   81.429   78.312
LGA    K    35_A      K    35_A     1.299     0    0.099   0.438     1.544   81.429   80.476
LGA    D    36_A      D    36_A     1.429     0    0.010   0.310     1.609   81.429   79.286
LGA    T    37_A      T    37_A     1.564     0    0.025   0.030     1.991   72.857   72.857
LGA    R    38_A      R    38_A     1.629     0    0.024   1.343     4.112   77.143   69.524
LGA    E    39_A      E    39_A     1.217     0    0.042   0.072     1.381   83.690   84.444
LGA    P    40_A      P    40_A     1.070     0    0.054   0.278     1.374   81.429   81.429
LGA    Y    41_A      Y    41_A     0.856     0    0.070   0.242     1.557   90.476   85.992
LGA    S    42_A      S    42_A     0.861     0    0.021   0.620     2.714   90.476   84.921
LGA    L    43_A      L    43_A     0.759     0    0.009   0.149     1.160   90.476   89.345
LGA    I    44_A      I    44_A     0.622     0    0.019   0.105     0.950   90.476   91.667
LGA    K    45_A      K    45_A     0.631     0    0.017   0.098     1.602   90.476   86.508
LGA    K    46_A      K    46_A     0.560     0    0.069   0.396     1.057   90.476   92.646
LGA    F    47_A      F    47_A     0.570     0    0.016   0.099     0.773   92.857   93.074
LGA    M    48_A      M    48_A     0.936     0    0.082   0.944     2.928   83.810   83.036
LGA    L    49_A      L    49_A     1.642     0    0.031   0.408     2.149   75.000   72.917
LGA    E    50_A      E    50_A     1.666     0    0.726   0.767     4.204   61.905   68.942
LGA    N    51_A      N    51_A     0.978     0    0.097   0.205     1.126   85.952   87.083
LGA    G    52_A      G    52_A     1.293     0    0.089   0.089     1.293   81.429   81.429
LGA    F    53_A      F    53_A     1.288     0    0.063   0.179     1.679   79.286   85.671
LGA    E    54_A      E    54_A     1.752     0    0.079   0.825     4.806   79.286   65.026
LGA    H    55_A      H    55_A     1.002     0    0.037   0.373     1.981   79.286   78.857
LGA    R    56_A      R    56_A     1.891     0    0.078   1.428     6.246   61.905   51.645
LGA    Q    57_A      Q    57_A     4.861     0    0.615   1.331     7.303   34.405   22.857
LGA    Y    58_A      Y    58_A     5.560     0    0.511   0.995    12.834   26.310   11.587
LGA    S    59_A      S    59_A     5.194     0    0.449   0.442     6.086   25.119   23.175
LGA    G    60_A      G    60_A     1.848     0    0.056   0.056     2.595   73.214   73.214
LGA    Y    61_A      Y    61_A     0.866     0    0.091   0.184     1.086   90.476   88.214
LGA    T    62_A      T    62_A     0.861     0    0.057   0.122     1.623   88.214   84.082
LGA    S    63_A      S    63_A     0.962     0    0.030   0.588     1.471   85.952   85.952
LGA    K    64_A      K    64_A     1.243     0    0.227   0.785     4.642   88.333   71.164
LGA    E    65_A      E    65_A     0.969     0    0.043   1.208     5.677   88.214   67.619
LGA    P    66_A      P    66_A     0.800     0    0.042   0.061     0.964   90.476   94.558
LGA    I    67_A      I    67_A     1.371     0    0.038   0.201     2.159   79.286   75.060
LGA    N    68_A      N    68_A     1.585     0    0.022   0.232     1.854   72.857   72.857
LGA    E    69_A      E    69_A     1.383     0    0.026   0.485     2.385   81.429   76.720
LGA    R    70_A      R    70_A     1.357     0    0.033   1.551     7.646   81.429   57.576
LGA    R    71_A      R    71_A     1.737     0    0.056   1.102     4.992   72.857   62.727
LGA    V    72_A      V    72_A     1.656     0    0.011   0.077     1.776   72.857   72.857
LGA    I    73_A      I    73_A     1.260     0    0.100   1.515     4.176   79.286   69.940
LGA    R    74_A      R    74_A     1.315     0    0.023   1.424     6.451   81.429   63.377
LGA    I    75_A      I    75_A     1.280     0    0.041   0.091     1.297   81.429   81.429
LGA    I    76_A      I    76_A     1.290     0    0.028   0.644     2.484   81.429   80.476
LGA    N    77_A      N    77_A     1.301     0    0.043   1.330     5.054   81.429   67.560
LGA    K    78_A      K    78_A     1.004     0    0.037   0.646     3.561   81.429   72.804
LGA    L    79_A      L    79_A     1.008     0    0.058   0.107     1.144   83.690   85.952
LGA    T    80_A      T    80_A     1.127     0    0.057   1.151     3.174   81.429   72.449
LGA    K    81_A      K    81_A     1.002     0    0.005   0.308     1.771   83.690   80.529
LGA    K    82_A      K    82_A     1.098     0    0.019   0.068     1.367   81.429   81.429
LGA    F    83_A      F    83_A     1.265     0    0.014   0.150     1.293   81.429   83.896
LGA    T    84_A      T    84_A     1.479     0    0.049   0.116     1.999   81.429   77.755
LGA    W    85_A      W    85_A     1.537     0    0.136   1.151     8.554   77.143   42.789
LGA    L    86_A      L    86_A     1.318     0    0.071   1.318     3.690   77.143   68.452
LGA    G    87_A      G    87_A     2.436     0    0.064   0.064     2.837   64.881   64.881
LGA    E    88_A      E    88_A     1.647     0    0.033   1.070     4.690   72.857   57.037
LGA    C    89_A      C    89_A     1.916     0    0.059   0.064     2.028   72.857   71.508
LGA    V    90_A      V    90_A     1.744     0    0.022   1.150     4.006   70.833   64.354
LGA    K    91_A      K    91_A     2.244     0    0.057   0.741     3.224   64.881   65.079
LGA    E    92_A      E    92_A     1.869     0    0.060   1.038     2.815   77.381   70.423
LGA    F    93_A      F    93_A     0.570     0    0.203   1.008     5.447   85.952   66.840
LGA    D    94_A      D    94_A     0.859     0    0.109   0.768     3.004   90.476   76.905
LGA    I    95_A      I    95_A     0.754     0    0.031   0.612     2.553   90.476   86.310
LGA    T    96_A      T    96_A     1.249     0    0.105   0.244     1.930   85.952   82.789
LGA    E    97_A      E    97_A     2.527     0    0.055   0.866     4.927   59.048   53.545
LGA    I    98_A      I    98_A     2.756     0    0.595   0.572     4.687   48.929   53.095
LGA    G    99_A      G    99_A     3.462     0    0.520   0.520     5.614   42.976   42.976
LGA    E   100_A      E   100_A     2.812     0    0.700   1.062     4.428   54.048   55.079
LGA    Q   101_A      Q   101_A     1.483     0    0.334   1.394     6.590   75.476   56.455
LGA    Y   102_A      Y   102_A     1.108     0    0.043   1.175     8.211   81.429   52.738
LGA    S   103_A      S   103_A     1.098     0    0.652   0.809     3.289   81.548   76.270
LGA    L   104_A      L   104_A     2.818     0    0.180   1.384     4.322   48.690   52.321
LGA    K   105_A      K   105_A     4.042     0    0.084   1.129     5.255   36.190   45.608
LGA    E   106_A      E   106_A     5.009     0    0.015   1.242     9.421   26.667   20.000
LGA    T   107_A      T   107_A     4.991     0    0.031   0.154     6.066   25.357   30.408
LGA    I   108_A      I   108_A     6.028     0    0.027   0.117     7.357   16.667   19.226
LGA    Q   109_A      Q   109_A     6.838     0    0.013   0.046     7.869   11.905   16.772
LGA    D   110_A      D   110_A     7.482     0    0.026   0.788     8.420    7.976    8.750
LGA    L   111_A      L   111_A     8.070     0    0.013   0.075     8.958    4.405    6.488
LGA    C   112_A      C   112_A     8.847     0    0.422   0.430     9.875    2.381    2.857
LGA    A   113_A      A   113_A     9.520     0    0.146   0.154    10.462    0.476    0.667
LGA    K   114_A      K   114_A    12.063     0    0.499   0.946    21.985    0.000    0.000
LGA    D   115_A      D   115_A     5.711     0    0.135   1.280     7.563   21.548   33.333
LGA    F   116_A      F   116_A     7.732     0    0.621   1.399    15.785    6.190    2.511
LGA    H   117_A      H   117_A    13.405     0    0.195   0.504    17.536    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):     3.872          3.849                  4.491           65.599   61.575

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  138  106    4.0     90    1.90    78.538    80.983     4.491

LGA_LOCAL      RMSD:   1.904  Number of atoms:   90  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.098  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   3.872  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.918498 * X  +  -0.233530 * Y  +  -0.319100 * Z  + -20.525232
  Y_new =   0.256338 * X  +  -0.262805 * Y  +   0.930174 * Z  + -34.195335
  Z_new =  -0.301085 * X  +  -0.936161 * Y  +  -0.181524 * Z  +  14.474839 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.272159  0.305830 -1.762322   [DEG:   15.5935   17.5228 -100.9736 ]
ZXZ: -2.811119  1.753332 -2.830424   [DEG: -161.0653  100.4585 -162.1714 ]
 
# END of job
