
#######################################################
#                                                     #
#                        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       2.84     2.84
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   102      12_A - 113_A       1.96     2.96
  LONGEST_CONTINUOUS_SEGMENT:   102      13_A - 114_A       1.94     2.93
  LCS_AVERAGE:     94.49

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83      16_A - 98_A        0.97     3.55
  LCS_AVERAGE:     66.64

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      6  102  106      3    4    8   52   71   83   85   91  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     D    13_A     D    13_A      6  102  106      3   15   25   78   81   83   86   93  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     P    14_A     P    14_A      6  102  106      3    5    8   15   56   75   84   90   93   96   98  103  103  103  104  104  106  106  106  106 
LCS_GDT     G    15_A     G    15_A     43  102  106      3    5    8   17   34   83   86   93  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     I    16_A     I    16_A     83  102  106      7   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     N    17_A     N    17_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     R    18_A     R    18_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     K    19_A     K    19_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     A    20_A     A    20_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     I    21_A     I    21_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     N    22_A     N    22_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     F    23_A     F    23_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     D    24_A     D    24_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     L    25_A     L    25_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     S    26_A     S    26_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     T    27_A     T    27_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     K    28_A     K    28_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     S    29_A     S    29_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     L    30_A     L    30_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     E    31_A     E    31_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     K    32_A     K    32_A     83  102  106     63   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     Y    33_A     Y    33_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     F    34_A     F    34_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     K    35_A     K    35_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     D    36_A     D    36_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     T    37_A     T    37_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     R    38_A     R    38_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     E    39_A     E    39_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     P    40_A     P    40_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     Y    41_A     Y    41_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     S    42_A     S    42_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     L    43_A     L    43_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     I    44_A     I    44_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     K    45_A     K    45_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     K    46_A     K    46_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     F    47_A     F    47_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     M    48_A     M    48_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     L    49_A     L    49_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     E    50_A     E    50_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     N    51_A     N    51_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     G    52_A     G    52_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     F    53_A     F    53_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     E    54_A     E    54_A     83  102  106     14   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     H    55_A     H    55_A     83  102  106     55   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     R    56_A     R    56_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     Q    57_A     Q    57_A     83  102  106      3   15   25   31   81   88   95   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     Y    58_A     Y    58_A     83  102  106      3    3    8   10   54   81   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     S    59_A     S    59_A     83  102  106      3    3    8   42   63   89   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     G    60_A     G    60_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     Y    61_A     Y    61_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     T    62_A     T    62_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     S    63_A     S    63_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     K    64_A     K    64_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     E    65_A     E    65_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     P    66_A     P    66_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     I    67_A     I    67_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     N    68_A     N    68_A     83  102  106     59   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     E    69_A     E    69_A     83  102  106     60   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     R    70_A     R    70_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     R    71_A     R    71_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     V    72_A     V    72_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     I    73_A     I    73_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     R    74_A     R    74_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     I    75_A     I    75_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     I    76_A     I    76_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     N    77_A     N    77_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     K    78_A     K    78_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     L    79_A     L    79_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     T    80_A     T    80_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     K    81_A     K    81_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     K    82_A     K    82_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     F    83_A     F    83_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     T    84_A     T    84_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     W    85_A     W    85_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     L    86_A     L    86_A     83  102  106     52   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     G    87_A     G    87_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     E    88_A     E    88_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     C    89_A     C    89_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     V    90_A     V    90_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     K    91_A     K    91_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     E    92_A     E    92_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     F    93_A     F    93_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     D    94_A     D    94_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     I    95_A     I    95_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     T    96_A     T    96_A     83  102  106     64   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     E    97_A     E    97_A     83  102  106     53   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     I    98_A     I    98_A     83  102  106     53   79   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     G    99_A     G    99_A     46  102  106     17   34   72   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     E   100_A     E   100_A     46  102  106     17   30   71   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     Q   101_A     Q   101_A     46  102  106     10   71   81   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     Y   102_A     Y   102_A     46  102  106      9   47   79   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     S   103_A     S   103_A     46  102  106      6   23   63   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     L   104_A     L   104_A     46  102  106      9   27   77   86   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     K   105_A     K   105_A     46  102  106      9   23   57   85   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     E   106_A     E   106_A     38  102  106      9   23   50   84   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     T   107_A     T   107_A     21  102  106      9   23   63   85   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     I   108_A     I   108_A     21  102  106      9   23   60   85   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     Q   109_A     Q   109_A     21  102  106      9   23   45   74   89   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     D   110_A     D   110_A     21  102  106      9   23   45   74   89   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     L   111_A     L   111_A     21  102  106      9   23   49   81   91   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     C   112_A     C   112_A     21  102  106      9   20   39   63   88   94   96   99  100  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     A   113_A     A   113_A     20  102  106      3   11   27   47   69   87   96   99   99  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     K   114_A     K   114_A     20  102  106      4    4   14   31   61   90   96   99   99  102  102  103  103  103  104  104  106  106  106  106 
LCS_GDT     D   115_A     D   115_A      4  101  106      4    4    4    4    5    5    8   11   39   62   86   98  103  103  104  104  106  106  106  106 
LCS_GDT     F   116_A     F   116_A      4    5  106      4    4    4    4    5    5    8    9   11   12   52   63   71   75   79   98  106  106  106  106 
LCS_GDT     H   117_A     H   117_A      4    5  106      4    4    4    4    5    5    8    9   11   14   16   63   71   75   97  103  106  106  106  106 
LCS_AVERAGE  LCS_A:  87.04  (  66.64   94.49  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     64     79     81     86     91     94     96     99    100    102    102    103    103    103    104    104    106    106    106    106 
GDT PERCENT_AT  60.38  74.53  76.42  81.13  85.85  88.68  90.57  93.40  94.34  96.23  96.23  97.17  97.17  97.17  98.11  98.11 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.39   0.48   0.81   1.14   1.34   1.48   1.67   1.76   1.89   1.89   2.00   2.00   2.00   2.19   2.19   2.84   2.84   2.84   2.84
GDT RMS_ALL_AT   3.70   3.62   3.58   3.36   3.11   3.01   2.97   2.93   2.99   2.93   2.93   2.94   2.94   2.94   2.90   2.90   2.84   2.84   2.84   2.84

# 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:  Y    58_A      Y    58_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     6.185     0    0.432   1.154     7.235   14.405   21.640
LGA    D    13_A      D    13_A     5.857     0    0.116   0.968     8.385   21.548   18.452
LGA    P    14_A      P    14_A     7.593     0    0.161   0.157     9.416   10.952    7.347
LGA    G    15_A      G    15_A     5.285     0    0.158   0.158     5.905   30.476   30.476
LGA    I    16_A      I    16_A     2.019     0    0.123   0.136     3.182   63.095   69.048
LGA    N    17_A      N    17_A     1.535     0    0.035   1.087     3.319   79.405   70.298
LGA    R    18_A      R    18_A     1.081     0    0.060   0.517     2.547   83.690   79.264
LGA    K    19_A      K    19_A     1.071     0    0.020   0.500     2.674   81.429   78.730
LGA    A    20_A      A    20_A     0.991     0    0.043   0.081     1.024   88.214   88.667
LGA    I    21_A      I    21_A     0.911     0    0.012   0.052     1.009   90.476   89.345
LGA    N    22_A      N    22_A     0.879     0    0.006   1.099     2.685   90.476   84.107
LGA    F    23_A      F    23_A     0.629     0    0.040   0.076     0.715   90.476   90.476
LGA    D    24_A      D    24_A     0.633     0    0.049   0.152     0.710   90.476   94.048
LGA    L    25_A      L    25_A     0.646     0    0.079   0.094     0.778   90.476   90.476
LGA    S    26_A      S    26_A     0.686     0    0.084   0.100     0.779   90.476   90.476
LGA    T    27_A      T    27_A     1.060     0    0.072   0.089     1.376   83.690   82.721
LGA    K    28_A      K    28_A     1.024     0    0.062   1.047     5.711   85.952   69.947
LGA    S    29_A      S    29_A     0.896     0    0.045   0.070     0.922   90.476   90.476
LGA    L    30_A      L    30_A     0.925     0    0.051   0.120     1.088   90.476   88.214
LGA    E    31_A      E    31_A     1.171     0    0.015   0.140     1.558   81.429   80.476
LGA    K    32_A      K    32_A     1.041     0    0.061   0.892     5.323   83.690   64.974
LGA    Y    33_A      Y    33_A     1.318     0    0.043   0.149     1.618   79.286   80.714
LGA    F    34_A      F    34_A     1.664     0    0.021   0.095     1.767   75.000   73.636
LGA    K    35_A      K    35_A     2.241     0    0.061   0.417     3.387   64.762   59.788
LGA    D    36_A      D    36_A     2.280     0    0.027   0.178     2.576   66.786   63.869
LGA    T    37_A      T    37_A     2.121     0    0.052   0.059     2.210   66.786   65.918
LGA    R    38_A      R    38_A     1.967     0    0.013   1.263     5.979   70.833   58.528
LGA    E    39_A      E    39_A     1.579     0    0.035   0.100     2.117   77.143   73.862
LGA    P    40_A      P    40_A     1.319     0    0.022   0.032     1.471   81.429   81.429
LGA    Y    41_A      Y    41_A     1.334     0    0.046   0.156     2.113   81.429   75.754
LGA    S    42_A      S    42_A     1.503     0    0.031   0.651     3.106   79.286   73.333
LGA    L    43_A      L    43_A     1.303     0    0.027   0.191     1.558   81.429   80.357
LGA    I    44_A      I    44_A     1.054     0    0.032   0.072     1.099   83.690   84.821
LGA    K    45_A      K    45_A     1.258     0    0.042   0.084     2.086   81.429   76.720
LGA    K    46_A      K    46_A     1.307     0    0.038   0.556     2.547   81.429   74.974
LGA    F    47_A      F    47_A     1.002     0    0.040   0.062     1.118   85.952   90.563
LGA    M    48_A      M    48_A     0.901     0    0.015   0.763     3.081   90.476   86.607
LGA    L    49_A      L    49_A     1.061     0    0.065   0.414     1.976   81.429   81.488
LGA    E    50_A      E    50_A     0.969     0    0.034   0.145     2.054   88.214   81.640
LGA    N    51_A      N    51_A     0.463     0    0.047   0.100     0.640   95.238   92.857
LGA    G    52_A      G    52_A     0.528     0    0.074   0.074     0.783   92.857   92.857
LGA    F    53_A      F    53_A     0.928     0    0.035   0.075     1.390   85.952   91.429
LGA    E    54_A      E    54_A     1.811     0    0.034   0.690     2.309   77.143   73.915
LGA    H    55_A      H    55_A     1.451     0    0.055   0.273     2.066   75.000   72.905
LGA    R    56_A      R    56_A     1.596     0    0.531   0.852     3.344   68.929   63.636
LGA    Q    57_A      Q    57_A     4.002     0    0.584   1.146     8.092   35.357   22.910
LGA    Y    58_A      Y    58_A     4.532     0    0.223   1.135    11.337   35.833   20.079
LGA    S    59_A      S    59_A     3.944     0    0.565   0.511     5.210   40.476   36.587
LGA    G    60_A      G    60_A     0.968     0    0.176   0.176     1.016   83.690   83.690
LGA    Y    61_A      Y    61_A     1.179     0    0.122   0.179     1.440   81.429   82.937
LGA    T    62_A      T    62_A     1.136     0    0.018   1.143     2.261   81.429   76.667
LGA    S    63_A      S    63_A     1.006     0    0.032   0.090     1.151   83.690   84.444
LGA    K    64_A      K    64_A     1.220     0    0.052   0.849     2.096   81.429   78.624
LGA    E    65_A      E    65_A     1.261     0    0.041   0.181     1.643   81.429   79.524
LGA    P    66_A      P    66_A     1.308     0    0.052   0.050     1.377   81.429   81.429
LGA    I    67_A      I    67_A     1.037     0    0.032   0.133     1.156   81.429   84.821
LGA    N    68_A      N    68_A     1.103     0    0.065   0.093     1.237   85.952   85.952
LGA    E    69_A      E    69_A     0.909     0    0.064   1.012     4.752   90.476   65.926
LGA    R    70_A      R    70_A     0.881     0    0.054   1.371     6.923   90.476   65.108
LGA    R    71_A      R    71_A     0.345     0    0.041   1.330     6.096   97.619   73.896
LGA    V    72_A      V    72_A     0.447     0    0.058   0.113     0.636   97.619   95.918
LGA    I    73_A      I    73_A     0.750     0    0.098   1.767     3.706   90.476   75.357
LGA    R    74_A      R    74_A     0.623     0    0.023   1.442     5.876   90.476   73.290
LGA    I    75_A      I    75_A     0.345     0    0.051   0.083     0.457  100.000  100.000
LGA    I    76_A      I    76_A     0.414     0    0.057   0.098     0.813   95.238   97.619
LGA    N    77_A      N    77_A     0.859     0    0.109   1.290     3.005   88.214   78.988
LGA    K    78_A      K    78_A     1.010     0    0.030   0.661     2.706   83.690   77.884
LGA    L    79_A      L    79_A     0.816     0    0.069   0.098     1.000   88.214   90.536
LGA    T    80_A      T    80_A     0.932     0    0.026   0.133     1.151   85.952   86.599
LGA    K    81_A      K    81_A     1.276     0    0.016   0.317     2.251   81.429   79.577
LGA    K    82_A      K    82_A     1.360     0    0.047   0.572     3.341   79.286   76.984
LGA    F    83_A      F    83_A     1.233     0    0.015   0.177     1.774   83.690   79.913
LGA    T    84_A      T    84_A     1.437     0    0.098   0.101     2.118   81.429   75.442
LGA    W    85_A      W    85_A     1.153     0    0.080   0.107     1.326   85.952   84.014
LGA    L    86_A      L    86_A     1.087     0    0.007   0.261     1.268   83.690   85.952
LGA    G    87_A      G    87_A     1.005     0    0.023   0.023     1.060   85.952   85.952
LGA    E    88_A      E    88_A     0.812     0    0.130   1.065     2.794   88.214   82.804
LGA    C    89_A      C    89_A     0.896     0    0.088   0.105     0.896   90.476   90.476
LGA    V    90_A      V    90_A     0.651     0    0.012   1.045     2.649   95.238   84.762
LGA    K    91_A      K    91_A     0.424     0    0.048   0.529     2.192   97.619   87.831
LGA    E    92_A      E    92_A     0.437     0    0.043   0.615     2.026  100.000   87.037
LGA    F    93_A      F    93_A     0.495     0    0.091   0.107     0.870   95.238   92.208
LGA    D    94_A      D    94_A     0.492     0    0.017   0.117     0.658   95.238   96.429
LGA    I    95_A      I    95_A     0.610     0    0.011   0.638     2.358   90.476   90.833
LGA    T    96_A      T    96_A     0.919     0    0.057   0.313     1.567   88.214   86.667
LGA    E    97_A      E    97_A     0.720     0    0.036   0.660     2.983   90.476   83.810
LGA    I    98_A      I    98_A     0.577     0    0.044   1.455     3.204   90.476   79.048
LGA    G    99_A      G    99_A     1.703     0    0.505   0.505     3.399   69.286   69.286
LGA    E   100_A      E   100_A     1.899     0    0.061   1.005     2.925   72.976   65.026
LGA    Q   101_A      Q   101_A     0.719     0    0.036   1.064     4.526   85.952   71.640
LGA    Y   102_A      Y   102_A     0.917     0    0.038   0.135     3.222   90.476   74.881
LGA    S   103_A      S   103_A     1.859     0    0.029   0.045     3.011   70.833   65.079
LGA    L   104_A      L   104_A     1.396     0    0.036   0.138     1.693   75.000   79.345
LGA    K   105_A      K   105_A     2.092     0    0.036   0.734     5.854   66.786   54.656
LGA    E   106_A      E   106_A     2.331     0    0.104   0.980     4.500   62.857   55.291
LGA    T   107_A      T   107_A     1.900     0    0.015   0.048     2.186   68.810   71.769
LGA    I   108_A      I   108_A     2.083     0    0.017   0.084     2.531   64.881   67.857
LGA    Q   109_A      Q   109_A     3.081     0    0.033   0.346     3.987   50.119   49.312
LGA    D   110_A      D   110_A     3.305     0    0.013   0.177     3.735   50.000   47.500
LGA    L   111_A      L   111_A     2.842     0    0.024   0.042     3.466   53.571   61.250
LGA    C   112_A      C   112_A     3.633     0    0.386   0.423     3.919   46.667   46.667
LGA    A   113_A      A   113_A     5.216     0    0.157   0.173     5.755   27.500   26.286
LGA    K   114_A      K   114_A     4.528     0    0.522   0.907    11.489   30.119   21.852
LGA    D   115_A      D   115_A     9.084     0    0.075   1.002    12.498    3.690    1.845
LGA    F   116_A      F   116_A    14.200     0    0.636   1.424    23.540    0.000    0.000
LGA    H   117_A      H   117_A    13.791     0    0.163   0.431    20.184    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):     2.836          2.787                  3.604           75.362   71.597

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  138  106    4.0     99    1.67    86.792    90.095     5.594

LGA_LOCAL      RMSD:   1.670  Number of atoms:   99  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.928  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   2.836  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.028854 * X  +   0.043668 * Y  +   0.998629 * Z  +  -6.005621
  Y_new =  -0.596981 * X  +  -0.800552 * Y  +   0.052255 * Z  + -40.857174
  Z_new =   0.801736 * X  +  -0.597670 * Y  +   0.002969 * Z  +  -3.612049 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.522500 -0.930195 -1.565828   [DEG:  -87.2328  -53.2962  -89.7153 ]
ZXZ:  1.623075  1.567827  2.211392   [DEG:   92.9954   89.8299  126.7034 ]
 
# END of job
