
#######################################################
#                                                     #
#                        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       2.83     2.83
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   102      13_A - 114_A       1.98     2.93
  LCS_AVERAGE:     94.48

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83      16_A - 98_A        0.97     3.58
  LCS_AVERAGE:     66.94

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  101  106      3    4    6    9   12   60   81   83   93   95   97  101  102  103  103  105  105  105  106  106 
LCS_GDT     D    13_A     D    13_A      6  102  106      3   15   53   79   81   83   89   93   98  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     P    14_A     P    14_A      6  102  106      3    3    6    9   18   28   80   84   93   93   97   99  101  103  103  103  104  104  106  106 
LCS_GDT     G    15_A     G    15_A     43  102  106      3    4    8   23   80   83   89   94   98  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     I    16_A     I    16_A     83  102  106      6   78   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     N    17_A     N    17_A     83  102  106     53   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     R    18_A     R    18_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     K    19_A     K    19_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     A    20_A     A    20_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     I    21_A     I    21_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     N    22_A     N    22_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     F    23_A     F    23_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     D    24_A     D    24_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     L    25_A     L    25_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     S    26_A     S    26_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     T    27_A     T    27_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     K    28_A     K    28_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     S    29_A     S    29_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     L    30_A     L    30_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     E    31_A     E    31_A     83  102  106     54   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     K    32_A     K    32_A     83  102  106     54   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     Y    33_A     Y    33_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     F    34_A     F    34_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     K    35_A     K    35_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     D    36_A     D    36_A     83  102  106     54   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     T    37_A     T    37_A     83  102  106     54   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     R    38_A     R    38_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     E    39_A     E    39_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     P    40_A     P    40_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     Y    41_A     Y    41_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     S    42_A     S    42_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     L    43_A     L    43_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     I    44_A     I    44_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     K    45_A     K    45_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     K    46_A     K    46_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     F    47_A     F    47_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     M    48_A     M    48_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     L    49_A     L    49_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     E    50_A     E    50_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     N    51_A     N    51_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     G    52_A     G    52_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     F    53_A     F    53_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     E    54_A     E    54_A     83  102  106     26   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     H    55_A     H    55_A     83  102  106     47   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     R    56_A     R    56_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     Q    57_A     Q    57_A     83  102  106      6   15   22   33   50   88   95   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     Y    58_A     Y    58_A     83  102  106      3    3    8   10   54   77   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     S    59_A     S    59_A     83  102  106      3    3    8   43   59   90   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     G    60_A     G    60_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     Y    61_A     Y    61_A     83  102  106     44   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     T    62_A     T    62_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     S    63_A     S    63_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     K    64_A     K    64_A     83  102  106     48   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     E    65_A     E    65_A     83  102  106     48   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     P    66_A     P    66_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     I    67_A     I    67_A     83  102  106     42   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     N    68_A     N    68_A     83  102  106     41   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     E    69_A     E    69_A     83  102  106     47   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     R    70_A     R    70_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     R    71_A     R    71_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     V    72_A     V    72_A     83  102  106     47   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     I    73_A     I    73_A     83  102  106     49   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     R    74_A     R    74_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     I    75_A     I    75_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     I    76_A     I    76_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     N    77_A     N    77_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     K    78_A     K    78_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     L    79_A     L    79_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     T    80_A     T    80_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     K    81_A     K    81_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     K    82_A     K    82_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     F    83_A     F    83_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     T    84_A     T    84_A     83  102  106     46   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     W    85_A     W    85_A     83  102  106     53   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     L    86_A     L    86_A     83  102  106     42   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     G    87_A     G    87_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     E    88_A     E    88_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     C    89_A     C    89_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     V    90_A     V    90_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     K    91_A     K    91_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     E    92_A     E    92_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     F    93_A     F    93_A     83  102  106     55   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     D    94_A     D    94_A     83  102  106     51   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     I    95_A     I    95_A     83  102  106     44   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     T    96_A     T    96_A     83  102  106     54   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     E    97_A     E    97_A     83  102  106     48   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     I    98_A     I    98_A     83  102  106     48   79   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     G    99_A     G    99_A     46  102  106     22   38   71   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     E   100_A     E   100_A     46  102  106      5   38   69   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     Q   101_A     Q   101_A     46  102  106     22   69   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     Y   102_A     Y   102_A     46  102  106     10   55   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     S   103_A     S   103_A     46  102  106      5   24   78   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     L   104_A     L   104_A     46  102  106      9   52   82   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     K   105_A     K   105_A     46  102  106      9   21   70   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     E   106_A     E   106_A     40  102  106      9   20   56   86   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     T   107_A     T   107_A     39  102  106      9   25   68   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     I   108_A     I   108_A     38  102  106      9   25   68   88   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     Q   109_A     Q   109_A     21  102  106      9   20   40   73   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     D   110_A     D   110_A     21  102  106      9   20   39   73   90   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     L   111_A     L   111_A     21  102  106      9   20   48   79   91   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     C   112_A     C   112_A     21  102  106      9   20   39   68   90   94   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     A   113_A     A   113_A     19  102  106      4   12   26   43   71   89   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     K   114_A     K   114_A     17  102  106      3    4    4   28   60   89   96   99   99  100  101  102  102  103  103  105  105  105  106  106 
LCS_GDT     D   115_A     D   115_A      4  101  106      3    4    4    4    6    6    8   32   45   71   98  102  102  103  103  105  105  105  106  106 
LCS_GDT     F   116_A     F   116_A      4    5  106      3    4    4    4    6    6    7    9   43   47   51   65   71   75   87  105  105  105  106  106 
LCS_GDT     H   117_A     H   117_A      4    5  106      3    4    4    4    6    6    7    9   12   16   20   42   71   91  102  105  105  105  106  106 
LCS_AVERAGE  LCS_A:  87.14  (  66.94   94.48  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     55     79     82     88     91     94     96     99     99    100    101    102    102    103    103    105    105    105    106    106 
GDT PERCENT_AT  51.89  74.53  77.36  83.02  85.85  88.68  90.57  93.40  93.40  94.34  95.28  96.23  96.23  97.17  97.17  99.06  99.06  99.06 100.00 100.00
GDT RMS_LOCAL    0.32   0.46   0.64   0.97   1.13   1.34   1.48   1.67   1.67   1.74   1.82   2.00   1.94   2.08   2.08   2.72   2.72   2.72   2.83   2.83
GDT RMS_ALL_AT   3.65   3.64   3.45   3.20   3.10   2.99   2.95   2.91   2.91   2.95   2.91   2.89   2.91   2.93   2.93   2.84   2.84   2.84   2.83   2.83

# Checking swapping
#   possible swapping detected:  D    13_A      D    13_A
#   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    65_A      E    65_A
#   possible swapping detected:  E   100_A      E   100_A
#   possible swapping detected:  E   106_A      E   106_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     7.639     0    0.472   1.118     9.609    6.786    4.815
LGA    D    13_A      D    13_A     5.803     0    0.068   1.238     6.615   21.548   23.631
LGA    P    14_A      P    14_A     8.547     0    0.622   0.582    10.422    4.643    2.857
LGA    G    15_A      G    15_A     5.167     0    0.176   0.176     5.699   30.476   30.476
LGA    I    16_A      I    16_A     2.195     0    0.118   1.089     3.276   61.071   64.167
LGA    N    17_A      N    17_A     1.826     0    0.034   1.094     3.843   77.143   67.321
LGA    R    18_A      R    18_A     1.223     0    0.061   0.503     2.288   81.429   79.134
LGA    K    19_A      K    19_A     0.983     0    0.035   0.615     2.905   83.690   83.757
LGA    A    20_A      A    20_A     1.005     0    0.040   0.083     1.022   85.952   86.857
LGA    I    21_A      I    21_A     0.929     0    0.005   0.064     1.048   88.214   88.214
LGA    N    22_A      N    22_A     0.854     0    0.006   1.089     2.620   90.476   83.095
LGA    F    23_A      F    23_A     0.575     0    0.038   0.085     0.736   90.476   90.476
LGA    D    24_A      D    24_A     0.543     0    0.062   0.147     0.753   90.476   95.238
LGA    L    25_A      L    25_A     0.590     0    0.087   0.106     0.839   92.857   91.667
LGA    S    26_A      S    26_A     0.599     0    0.091   0.108     0.674   90.476   90.476
LGA    T    27_A      T    27_A     0.948     0    0.068   0.078     1.299   90.476   86.599
LGA    K    28_A      K    28_A     0.926     0    0.060   1.053     5.798   90.476   71.958
LGA    S    29_A      S    29_A     0.772     0    0.046   0.062     0.881   90.476   90.476
LGA    L    30_A      L    30_A     0.894     0    0.048   0.101     1.122   90.476   88.214
LGA    E    31_A      E    31_A     1.103     0    0.020   0.123     1.431   83.690   82.434
LGA    K    32_A      K    32_A     0.933     0    0.059   0.921     5.392   90.476   67.989
LGA    Y    33_A      Y    33_A     1.262     0    0.056   0.168     1.477   81.429   83.690
LGA    F    34_A      F    34_A     1.555     0    0.019   0.104     1.787   77.143   74.416
LGA    K    35_A      K    35_A     2.015     0    0.041   0.413     3.231   68.810   63.228
LGA    D    36_A      D    36_A     2.101     0    0.021   0.214     2.575   68.810   65.833
LGA    T    37_A      T    37_A     1.911     0    0.023   0.039     1.933   72.857   72.857
LGA    R    38_A      R    38_A     1.927     0    0.017   1.264     5.479   72.857   61.645
LGA    E    39_A      E    39_A     1.675     0    0.021   0.102     2.212   77.143   73.862
LGA    P    40_A      P    40_A     1.374     0    0.021   0.030     1.525   81.429   78.980
LGA    Y    41_A      Y    41_A     1.375     0    0.042   0.205     2.016   81.429   75.794
LGA    S    42_A      S    42_A     1.533     0    0.035   0.656     3.197   75.000   70.476
LGA    L    43_A      L    43_A     1.339     0    0.028   0.180     1.598   81.429   80.357
LGA    I    44_A      I    44_A     1.082     0    0.035   0.073     1.123   83.690   83.690
LGA    K    45_A      K    45_A     1.286     0    0.043   0.139     2.415   81.429   77.672
LGA    K    46_A      K    46_A     1.338     0    0.039   0.551     2.598   81.429   74.974
LGA    F    47_A      F    47_A     1.025     0    0.038   0.039     1.139   85.952   88.831
LGA    M    48_A      M    48_A     0.894     0    0.016   0.766     3.148   90.476   86.607
LGA    L    49_A      L    49_A     1.049     0    0.068   0.416     1.973   81.429   81.488
LGA    E    50_A      E    50_A     0.948     0    0.023   0.156     2.043   88.214   81.640
LGA    N    51_A      N    51_A     0.479     0    0.055   0.103     0.679   97.619   94.048
LGA    G    52_A      G    52_A     0.510     0    0.076   0.076     0.780   92.857   92.857
LGA    F    53_A      F    53_A     0.918     0    0.036   0.068     1.418   85.952   91.429
LGA    E    54_A      E    54_A     1.810     0    0.030   0.690     2.283   77.143   73.915
LGA    H    55_A      H    55_A     1.509     0    0.053   0.270     2.163   72.857   71.238
LGA    R    56_A      R    56_A     1.629     0    0.522   0.884     3.221   68.929   64.286
LGA    Q    57_A      Q    57_A     3.914     0    0.600   1.289     7.249   36.905   29.312
LGA    Y    58_A      Y    58_A     4.419     0    0.240   1.306    11.088   40.357   21.190
LGA    S    59_A      S    59_A     3.847     0    0.585   0.524     5.069   42.262   37.778
LGA    G    60_A      G    60_A     1.074     0    0.179   0.179     1.109   83.690   83.690
LGA    Y    61_A      Y    61_A     1.280     0    0.126   0.185     1.572   81.429   80.714
LGA    T    62_A      T    62_A     1.146     0    0.019   1.134     2.246   81.429   76.667
LGA    S    63_A      S    63_A     1.020     0    0.038   0.105     1.178   81.429   82.937
LGA    K    64_A      K    64_A     1.360     0    0.039   0.852     2.293   79.286   77.672
LGA    E    65_A      E    65_A     1.476     0    0.046   0.158     1.859   81.429   78.571
LGA    P    66_A      P    66_A     1.494     0    0.055   0.050     1.675   77.143   75.306
LGA    I    67_A      I    67_A     1.361     0    0.031   1.067     2.638   81.429   75.238
LGA    N    68_A      N    68_A     1.433     0    0.036   0.091     1.511   81.429   81.488
LGA    E    69_A      E    69_A     1.372     0    0.058   1.023     5.898   81.429   57.884
LGA    R    70_A      R    70_A     1.196     0    0.062   1.339     6.320   83.690   65.844
LGA    R    71_A      R    71_A     0.275     0    0.061   1.419     8.266   97.619   60.606
LGA    V    72_A      V    72_A     0.740     0    0.065   0.125     1.237   90.476   87.891
LGA    I    73_A      I    73_A     1.141     0    0.106   1.527     4.277   88.214   77.143
LGA    R    74_A      R    74_A     0.831     0    0.024   1.429     5.586   90.476   73.290
LGA    I    75_A      I    75_A     0.299     0    0.054   0.090     0.406  100.000  100.000
LGA    I    76_A      I    76_A     0.431     0    0.058   0.101     0.848   95.238   94.048
LGA    N    77_A      N    77_A     1.041     0    0.108   1.289     2.651   83.690   77.619
LGA    K    78_A      K    78_A     1.138     0    0.029   0.654     2.517   81.429   76.878
LGA    L    79_A      L    79_A     0.813     0    0.070   0.103     1.020   88.214   91.726
LGA    T    80_A      T    80_A     0.946     0    0.027   0.136     1.239   85.952   86.599
LGA    K    81_A      K    81_A     1.449     0    0.014   0.306     2.559   79.286   73.968
LGA    K    82_A      K    82_A     1.512     0    0.049   0.567     3.468   75.000   74.127
LGA    F    83_A      F    83_A     1.302     0    0.013   0.186     1.874   83.690   79.134
LGA    T    84_A      T    84_A     1.599     0    0.094   0.099     2.372   77.143   71.837
LGA    W    85_A      W    85_A     1.256     0    0.074   0.133     1.514   83.690   82.109
LGA    L    86_A      L    86_A     1.128     0    0.011   0.296     1.292   81.429   84.821
LGA    G    87_A      G    87_A     1.064     0    0.022   0.022     1.108   85.952   85.952
LGA    E    88_A      E    88_A     0.815     0    0.114   1.003     2.610   88.214   80.847
LGA    C    89_A      C    89_A     0.929     0    0.083   0.105     0.929   90.476   90.476
LGA    V    90_A      V    90_A     0.678     0    0.015   0.203     1.008   90.476   89.184
LGA    K    91_A      K    91_A     0.478     0    0.072   0.584     1.270   95.238   91.640
LGA    E    92_A      E    92_A     0.444     0    0.043   0.617     2.050  100.000   86.138
LGA    F    93_A      F    93_A     0.509     0    0.104   0.139     1.022   95.238   90.563
LGA    D    94_A      D    94_A     0.455     0    0.018   0.100     0.584   95.238   96.429
LGA    I    95_A      I    95_A     0.567     0    0.015   0.641     2.162   90.476   90.833
LGA    T    96_A      T    96_A     0.917     0    0.055   0.331     1.632   88.214   86.667
LGA    E    97_A      E    97_A     0.773     0    0.038   0.808     3.170   90.476   82.063
LGA    I    98_A      I    98_A     0.743     0    0.060   1.465     3.076   90.476   78.155
LGA    G    99_A      G    99_A     1.621     0    0.500   0.500     3.193   69.286   69.286
LGA    E   100_A      E   100_A     1.768     0    0.058   1.010     2.862   72.976   65.873
LGA    Q   101_A      Q   101_A     0.570     0    0.011   1.030     4.364   90.476   75.344
LGA    Y   102_A      Y   102_A     0.545     0    0.033   0.145     2.982   95.238   79.167
LGA    S   103_A      S   103_A     1.363     0    0.007   0.127     2.941   81.429   74.603
LGA    L   104_A      L   104_A     0.837     0    0.060   0.176     1.264   83.690   90.655
LGA    K   105_A      K   105_A     1.758     0    0.030   0.735     5.888   72.976   57.407
LGA    E   106_A      E   106_A     2.135     0    0.089   1.313     6.286   64.881   46.720
LGA    T   107_A      T   107_A     1.715     0    0.025   0.035     2.062   70.833   74.150
LGA    I   108_A      I   108_A     1.768     0    0.020   0.096     2.282   68.810   72.976
LGA    Q   109_A      Q   109_A     3.017     0    0.030   0.315     3.914   52.024   50.159
LGA    D   110_A      D   110_A     3.499     0    0.013   0.146     3.948   48.333   46.667
LGA    L   111_A      L   111_A     2.967     0    0.056   0.061     3.606   51.905   58.393
LGA    C   112_A      C   112_A     3.508     0    0.392   0.418     3.905   46.667   48.968
LGA    A   113_A      A   113_A     5.362     0    0.166   0.182     6.050   26.190   24.381
LGA    K   114_A      K   114_A     4.667     0    0.525   0.910    11.637   31.429   21.323
LGA    D   115_A      D   115_A     8.574     0    0.120   0.972    11.600    4.048    2.202
LGA    F   116_A      F   116_A    13.720     0    0.641   1.469    23.166    0.000    0.000
LGA    H   117_A      H   117_A    13.004     0    0.194   0.869    19.790    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):     2.833          2.784                  3.619           75.327   71.292

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  138  106    4.0     99    1.67    87.500    90.043     5.586

LGA_LOCAL      RMSD:   1.672  Number of atoms:   99  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.913  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   2.833  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.200561 * X  +  -0.442376 * Y  +   0.874116 * Z  +  -6.407382
  Y_new =  -0.772957 * X  +  -0.476749 * Y  +  -0.418626 * Z  + -42.234161
  Z_new =   0.601924 * X  +  -0.759615 * Y  +  -0.246321 * Z  +  -2.581863 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.824670 -0.645908 -1.884368   [DEG: -104.5459  -37.0078 -107.9663 ]
ZXZ:  1.124160  1.819678  2.471499   [DEG:   64.4096  104.2599  141.6065 ]
 
# END of job
