
#######################################################
#                                                     #
#                        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       2.95     2.95
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101      12_A - 112_A       1.94     3.14
  LONGEST_CONTINUOUS_SEGMENT:   101      13_A - 113_A       1.96     3.09
  LONGEST_CONTINUOUS_SEGMENT:   101      14_A - 114_A       1.97     3.06
  LCS_AVERAGE:     93.57

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83      16_A - 98_A        0.99     3.68
  LCS_AVERAGE:     66.17

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      3  101  106      3    3   23   34   44   83   83   89   95  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     D    13_A     D    13_A      5  101  106      3    6   62   81   82   84   88   97  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     P    14_A     P    14_A      5  101  106      3    5    6   11   19   45   76   86   93   93  101  102  102  103  104  104  104  106  106  106 
LCS_GDT     G    15_A     G    15_A     43  101  106      3    5    7   22   31   83   86   93  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     I    16_A     I    16_A     83  101  106      7   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     N    17_A     N    17_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     R    18_A     R    18_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     K    19_A     K    19_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     A    20_A     A    20_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     I    21_A     I    21_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     N    22_A     N    22_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     F    23_A     F    23_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     D    24_A     D    24_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     L    25_A     L    25_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     S    26_A     S    26_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     T    27_A     T    27_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     K    28_A     K    28_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     S    29_A     S    29_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     L    30_A     L    30_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     E    31_A     E    31_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     K    32_A     K    32_A     83  101  106     62   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     Y    33_A     Y    33_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     F    34_A     F    34_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     K    35_A     K    35_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     D    36_A     D    36_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     T    37_A     T    37_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     R    38_A     R    38_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     E    39_A     E    39_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     P    40_A     P    40_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     Y    41_A     Y    41_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     S    42_A     S    42_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     L    43_A     L    43_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     I    44_A     I    44_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     K    45_A     K    45_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     K    46_A     K    46_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     F    47_A     F    47_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     M    48_A     M    48_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     L    49_A     L    49_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     E    50_A     E    50_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     N    51_A     N    51_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     G    52_A     G    52_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     F    53_A     F    53_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     E    54_A     E    54_A     83  101  106     21   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     H    55_A     H    55_A     83  101  106     51   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     R    56_A     R    56_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     Q    57_A     Q    57_A     83  101  106      3    9   22   30   77   85   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     Y    58_A     Y    58_A     83  101  106      3    3    8   29   55   81   95   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     S    59_A     S    59_A     83  101  106      3    3   16   39   64   89   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     G    60_A     G    60_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     Y    61_A     Y    61_A     83  101  106     37   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     T    62_A     T    62_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     S    63_A     S    63_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     K    64_A     K    64_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     E    65_A     E    65_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     P    66_A     P    66_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     I    67_A     I    67_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     N    68_A     N    68_A     83  101  106     57   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     E    69_A     E    69_A     83  101  106     56   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     R    70_A     R    70_A     83  101  106     60   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     R    71_A     R    71_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     V    72_A     V    72_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     I    73_A     I    73_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     R    74_A     R    74_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     I    75_A     I    75_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     I    76_A     I    76_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     N    77_A     N    77_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     K    78_A     K    78_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     L    79_A     L    79_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     T    80_A     T    80_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     K    81_A     K    81_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     K    82_A     K    82_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     F    83_A     F    83_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     T    84_A     T    84_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     W    85_A     W    85_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     L    86_A     L    86_A     83  101  106     59   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     G    87_A     G    87_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     E    88_A     E    88_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     C    89_A     C    89_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     V    90_A     V    90_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     K    91_A     K    91_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     E    92_A     E    92_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     F    93_A     F    93_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     D    94_A     D    94_A     83  101  106     66   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     I    95_A     I    95_A     83  101  106     63   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     T    96_A     T    96_A     83  101  106     61   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     E    97_A     E    97_A     83  101  106     61   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     I    98_A     I    98_A     83  101  106     59   80   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     G    99_A     G    99_A     45  101  106     22   35   78   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     E   100_A     E   100_A     45  101  106     22   32   77   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     Q   101_A     Q   101_A     45  101  106     11   74   81   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     Y   102_A     Y   102_A     45  101  106      8   25   78   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     S   103_A     S   103_A     45  101  106      6   19   50   82   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     L   104_A     L   104_A     45  101  106      9   19   64   85   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     K   105_A     K   105_A     37  101  106      9   18   37   79   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     E   106_A     E   106_A     19  101  106      9   19   39   74   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     T   107_A     T   107_A     19  101  106      9   19   52   82   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     I   108_A     I   108_A     19  101  106      9   19   50   80   90   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     Q   109_A     Q   109_A     19  101  106      9   19   35   63   88   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     D   110_A     D   110_A     19  101  106      9   19   36   64   88   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     L   111_A     L   111_A     19  101  106      9   19   40   72   88   93   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     C   112_A     C   112_A     19  101  106      9   18   34   58   81   92   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     A   113_A     A   113_A     19  101  106      4   10   25   39   59   81   94   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     K   114_A     K   114_A     19  101  106      3    4   20   37   59   88   96   99  100  102  102  102  103  103  104  104  104  106  106  106 
LCS_GDT     D   115_A     D   115_A      4  100  106      3    4    6    6    7   10   10   25   40   54   78   97  103  103  104  104  104  106  106  106 
LCS_GDT     F   116_A     F   116_A      4    5  106      3    4    6    6    7   10   10   10   11   14   15   57   64   72   76   91   99  106  106  106 
LCS_GDT     H   117_A     H   117_A      4    5  106      3    4    6    6    7   10   10   10   11   44   48   57   64   72   88  101  104  106  106  106 
LCS_AVERAGE  LCS_A:  86.58  (  66.17   93.57  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     66     80     81     85     90     93     96     99    100    102    102    102    103    103    104    104    104    106    106    106 
GDT PERCENT_AT  62.26  75.47  76.42  80.19  84.91  87.74  90.57  93.40  94.34  96.23  96.23  96.23  97.17  97.17  98.11  98.11  98.11 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.41   0.46   0.74   1.12   1.36   1.52   1.76   1.83   1.96   1.96   1.96   2.17   2.08   2.28   2.28   2.28   2.95   2.95   2.95
GDT RMS_ALL_AT   3.83   3.78   3.74   3.57   3.33   3.18   3.13   3.05   3.05   3.05   3.05   3.05   3.01   3.06   3.02   3.02   3.02   2.95   2.95   2.95

# Checking swapping
#   possible swapping detected:  F    23_A      F    23_A
#   possible swapping detected:  E    31_A      E    31_A
#   possible swapping detected:  Y    33_A      Y    33_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  F    53_A      F    53_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  E    65_A      E    65_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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    12_A      Q    12_A     6.304     0    0.444   0.995     7.463   14.405   13.122
LGA    D    13_A      D    13_A     5.344     0    0.109   0.928     7.542   25.000   23.988
LGA    P    14_A      P    14_A     8.020     0    0.623   0.534     9.635    6.905    4.762
LGA    G    15_A      G    15_A     5.228     0    0.062   0.062     5.631   30.476   30.476
LGA    I    16_A      I    16_A     1.961     0    0.138   0.134     3.174   65.119   70.060
LGA    N    17_A      N    17_A     1.542     0    0.033   1.077     3.401   79.405   71.310
LGA    R    18_A      R    18_A     1.125     0    0.051   0.558     2.631   81.429   78.442
LGA    K    19_A      K    19_A     0.999     0    0.041   0.421     2.323   83.690   81.587
LGA    A    20_A      A    20_A     1.025     0    0.034   0.053     1.044   83.690   83.238
LGA    I    21_A      I    21_A     0.966     0    0.008   0.060     1.055   85.952   87.083
LGA    N    22_A      N    22_A     0.911     0    0.007   0.151     1.323   90.476   88.214
LGA    F    23_A      F    23_A     0.704     0    0.036   0.087     0.835   90.476   90.476
LGA    D    24_A      D    24_A     0.699     0    0.051   0.146     0.793   90.476   94.048
LGA    L    25_A      L    25_A     0.753     0    0.076   0.090     0.882   90.476   90.476
LGA    S    26_A      S    26_A     0.812     0    0.095   0.114     0.924   90.476   90.476
LGA    T    27_A      T    27_A     1.255     0    0.072   0.080     1.547   81.429   80.204
LGA    K    28_A      K    28_A     1.293     0    0.066   1.060     5.715   81.429   67.937
LGA    S    29_A      S    29_A     1.083     0    0.049   0.078     1.134   81.429   82.937
LGA    L    30_A      L    30_A     1.079     0    0.053   0.124     1.167   81.429   81.429
LGA    E    31_A      E    31_A     1.408     0    0.019   0.142     1.793   79.286   75.714
LGA    K    32_A      K    32_A     1.309     0    0.062   0.916     5.951   81.429   60.370
LGA    Y    33_A      Y    33_A     1.374     0    0.037   0.154     1.579   79.286   80.714
LGA    F    34_A      F    34_A     1.662     0    0.019   0.090     1.799   75.000   73.636
LGA    K    35_A      K    35_A     2.202     0    0.039   0.407     3.310   64.762   60.582
LGA    D    36_A      D    36_A     2.227     0    0.020   0.202     2.589   66.786   63.869
LGA    T    37_A      T    37_A     2.024     0    0.047   0.057     2.067   68.810   67.075
LGA    R    38_A      R    38_A     2.016     0    0.014   1.287     5.891   68.810   57.792
LGA    E    39_A      E    39_A     1.701     0    0.025   0.099     2.154   77.143   73.862
LGA    P    40_A      P    40_A     1.520     0    0.051   0.333     1.745   77.143   79.048
LGA    Y    41_A      Y    41_A     1.474     0    0.043   0.188     2.208   81.429   73.690
LGA    S    42_A      S    42_A     1.557     0    0.032   0.658     3.129   75.000   70.476
LGA    L    43_A      L    43_A     1.350     0    0.029   0.184     1.627   81.429   80.357
LGA    I    44_A      I    44_A     1.134     0    0.033   0.071     1.240   81.429   81.429
LGA    K    45_A      K    45_A     1.290     0    0.047   0.131     2.221   81.429   77.672
LGA    K    46_A      K    46_A     1.290     0    0.040   0.556     2.519   81.429   74.974
LGA    F    47_A      F    47_A     0.988     0    0.041   0.095     1.117   88.214   91.385
LGA    M    48_A      M    48_A     0.894     0    0.012   0.759     3.098   90.476   86.607
LGA    L    49_A      L    49_A     1.054     0    0.058   0.419     1.996   81.429   81.488
LGA    E    50_A      E    50_A     0.953     0    0.017   0.152     2.114   88.214   81.640
LGA    N    51_A      N    51_A     0.455     0    0.044   0.098     0.627   95.238   95.238
LGA    G    52_A      G    52_A     0.597     0    0.047   0.047     0.871   90.476   90.476
LGA    F    53_A      F    53_A     0.998     0    0.034   0.082     1.447   85.952   90.563
LGA    E    54_A      E    54_A     1.860     0    0.017   0.129     3.079   75.000   65.979
LGA    H    55_A      H    55_A     1.570     0    0.069   0.305     2.041   72.857   71.238
LGA    R    56_A      R    56_A     1.705     0    0.575   0.979     3.411   65.119   63.593
LGA    Q    57_A      Q    57_A     3.766     0    0.617   0.815     8.765   36.905   22.487
LGA    Y    58_A      Y    58_A     4.590     0    0.200   1.262    11.862   37.500   18.532
LGA    S    59_A      S    59_A     3.903     0    0.583   0.522     4.949   40.476   38.413
LGA    G    60_A      G    60_A     0.921     0    0.178   0.178     1.020   85.952   85.952
LGA    Y    61_A      Y    61_A     1.228     0    0.120   0.186     1.520   81.429   81.468
LGA    T    62_A      T    62_A     1.151     0    0.040   1.070     2.301   81.429   77.823
LGA    S    63_A      S    63_A     1.059     0    0.030   0.079     1.169   81.429   81.429
LGA    K    64_A      K    64_A     1.180     0    0.017   0.796     2.027   81.429   78.624
LGA    E    65_A      E    65_A     1.208     0    0.039   0.155     1.571   81.429   79.524
LGA    P    66_A      P    66_A     1.292     0    0.047   0.042     1.366   81.429   81.429
LGA    I    67_A      I    67_A     1.043     0    0.019   0.173     1.177   81.429   86.012
LGA    N    68_A      N    68_A     1.085     0    0.063   0.090     1.243   85.952   85.952
LGA    E    69_A      E    69_A     0.895     0    0.075   1.021     4.803   90.476   65.926
LGA    R    70_A      R    70_A     0.908     0    0.103   1.286     6.807   90.476   64.069
LGA    R    71_A      R    71_A     0.314     0    0.053   1.381     8.296   97.619   60.260
LGA    V    72_A      V    72_A     0.460     0    0.048   0.115     0.585   95.238   94.558
LGA    I    73_A      I    73_A     0.737     0    0.108   1.739     3.660   90.476   76.488
LGA    R    74_A      R    74_A     0.667     0    0.031   1.348     6.248   90.476   75.022
LGA    I    75_A      I    75_A     0.415     0    0.059   0.086     0.546   97.619   98.810
LGA    I    76_A      I    76_A     0.551     0    0.033   0.084     0.813   90.476   91.667
LGA    N    77_A      N    77_A     0.914     0    0.096   1.299     3.186   90.476   80.119
LGA    K    78_A      K    78_A     1.063     0    0.029   0.660     2.707   81.429   76.878
LGA    L    79_A      L    79_A     0.932     0    0.071   0.101     1.110   85.952   87.083
LGA    T    80_A      T    80_A     1.034     0    0.051   0.193     1.321   81.429   84.014
LGA    K    81_A      K    81_A     1.281     0    0.017   0.315     2.166   81.429   79.577
LGA    K    82_A      K    82_A     1.348     0    0.051   0.569     3.081   79.286   76.984
LGA    F    83_A      F    83_A     1.287     0    0.026   0.229     1.754   81.429   79.091
LGA    T    84_A      T    84_A     1.380     0    0.111   0.115     1.962   81.429   77.755
LGA    W    85_A      W    85_A     1.215     0    0.085   0.107     1.391   83.690   82.075
LGA    L    86_A      L    86_A     1.120     0    0.011   0.290     1.268   83.690   85.952
LGA    G    87_A      G    87_A     1.030     0    0.021   0.021     1.097   85.952   85.952
LGA    E    88_A      E    88_A     0.884     0    0.123   1.068     2.755   88.214   82.804
LGA    C    89_A      C    89_A     0.951     0    0.077   0.096     0.951   90.476   90.476
LGA    V    90_A      V    90_A     0.719     0    0.024   0.179     0.983   90.476   90.476
LGA    K    91_A      K    91_A     0.597     0    0.075   0.610     1.494   90.476   89.471
LGA    E    92_A      E    92_A     0.608     0    0.042   0.619     1.776   90.476   82.646
LGA    F    93_A      F    93_A     0.591     0    0.118   0.108     0.994   90.476   90.476
LGA    D    94_A      D    94_A     0.476     0    0.014   0.067     0.579   95.238   96.429
LGA    I    95_A      I    95_A     0.607     0    0.047   1.189     3.888   90.476   78.393
LGA    T    96_A      T    96_A     0.806     0    0.020   1.143     3.212   90.476   81.020
LGA    E    97_A      E    97_A     0.830     0    0.017   0.732     3.237   90.476   83.016
LGA    I    98_A      I    98_A     0.893     0    0.065   1.486     3.027   90.476   79.048
LGA    G    99_A      G    99_A     1.665     0    0.502   0.502     3.101   69.286   69.286
LGA    E   100_A      E   100_A     1.871     0    0.077   0.948     2.900   72.976   65.026
LGA    Q   101_A      Q   101_A     0.768     0    0.028   0.988     4.121   83.690   78.571
LGA    Y   102_A      Y   102_A     1.311     0    0.011   0.189     3.586   83.690   66.230
LGA    S   103_A      S   103_A     2.131     0    0.019   0.062     3.429   66.786   62.381
LGA    L   104_A      L   104_A     1.808     0    0.026   0.134     2.065   68.810   71.905
LGA    K   105_A      K   105_A     2.455     0    0.049   0.776     6.483   60.952   49.206
LGA    E   106_A      E   106_A     2.614     0    0.105   0.980     4.907   57.143   49.735
LGA    T   107_A      T   107_A     2.195     0    0.015   0.054     2.510   62.857   64.830
LGA    I   108_A      I   108_A     2.473     0    0.019   0.095     2.855   60.952   61.905
LGA    Q   109_A      Q   109_A     3.371     0    0.032   0.285     4.131   48.452   44.921
LGA    D   110_A      D   110_A     3.519     0    0.017   0.194     3.931   46.667   45.833
LGA    L   111_A      L   111_A     3.150     0    0.027   0.049     3.823   46.667   54.821
LGA    C   112_A      C   112_A     3.962     0    0.384   0.417     4.254   41.786   42.302
LGA    A   113_A      A   113_A     5.580     0    0.112   0.128     6.038   23.810   22.476
LGA    K   114_A      K   114_A     4.876     0    0.529   0.912    10.788   25.119   20.794
LGA    D   115_A      D   115_A     9.619     0    0.067   0.975    13.260    1.905    0.952
LGA    F   116_A      F   116_A    14.921     0    0.642   1.452    24.232    0.000    0.000
LGA    H   117_A      H   117_A    14.400     0    0.189   0.865    20.828    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):     2.954          2.924                  3.743           73.801   70.142

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  138  106    4.0     99    1.76    86.792    89.694     5.324

LGA_LOCAL      RMSD:   1.759  Number of atoms:   99  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.054  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   2.954  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.015172 * X  +   0.363042 * Y  +   0.931649 * Z  +  -8.884748
  Y_new =  -0.079071 * X  +  -0.929274 * Y  +   0.360828 * Z  + -39.339828
  Z_new =   0.996754 * X  +  -0.068192 * Y  +   0.042805 * Z  +  -3.741262 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.760364 -1.490196 -1.010255   [DEG: -100.8614  -85.3819  -57.8833 ]
ZXZ:  1.940307  1.527979  1.639104   [DEG:  111.1714   87.5467   93.9138 ]
 
# END of job
