
#######################################################
#                                                     #
#                        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       2.91     2.91
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101      12_A - 112_A       1.98     3.09
  LCS_AVERAGE:     93.16

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83      16_A - 98_A        0.97     3.70
  LCS_AVERAGE:     66.23

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      7  101  106      4    4    8   19   68   79   83   90   92  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     D    13_A     D    13_A      7  101  106      4    9   65   79   81   85   89   93   98  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     P    14_A     P    14_A      7  101  106      4    4    8   17   23   76   83   90   92   94   97  102  102  103  104  105  105  106  106  106 
LCS_GDT     G    15_A     G    15_A     43  101  106      3    4    8   19   44   82   84   90   97  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     I    16_A     I    16_A     83  101  106      7   76   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     N    17_A     N    17_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     R    18_A     R    18_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     K    19_A     K    19_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     A    20_A     A    20_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     I    21_A     I    21_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     N    22_A     N    22_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     F    23_A     F    23_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     D    24_A     D    24_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     L    25_A     L    25_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     S    26_A     S    26_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     T    27_A     T    27_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     K    28_A     K    28_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     S    29_A     S    29_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     L    30_A     L    30_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     E    31_A     E    31_A     83  101  106     51   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     K    32_A     K    32_A     83  101  106     51   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     Y    33_A     Y    33_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     F    34_A     F    34_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     K    35_A     K    35_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     D    36_A     D    36_A     83  101  106     51   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     T    37_A     T    37_A     83  101  106     50   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     R    38_A     R    38_A     83  101  106     51   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     E    39_A     E    39_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     P    40_A     P    40_A     83  101  106     50   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     Y    41_A     Y    41_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     S    42_A     S    42_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     L    43_A     L    43_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     I    44_A     I    44_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     K    45_A     K    45_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     K    46_A     K    46_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     F    47_A     F    47_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     M    48_A     M    48_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     L    49_A     L    49_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     E    50_A     E    50_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     N    51_A     N    51_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     G    52_A     G    52_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     F    53_A     F    53_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     E    54_A     E    54_A     83  101  106     24   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     H    55_A     H    55_A     83  101  106     51   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     R    56_A     R    56_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     Q    57_A     Q    57_A     83  101  106      3   10   15   39   68   88   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     Y    58_A     Y    58_A     83  101  106      3    3    8   34   60   84   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     S    59_A     S    59_A     83  101  106      3    3   22   42   65   91   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     G    60_A     G    60_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     Y    61_A     Y    61_A     83  101  106     39   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     T    62_A     T    62_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     S    63_A     S    63_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     K    64_A     K    64_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     E    65_A     E    65_A     83  101  106     51   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     P    66_A     P    66_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     I    67_A     I    67_A     83  101  106     46   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     N    68_A     N    68_A     83  101  106     43   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     E    69_A     E    69_A     83  101  106     47   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     R    70_A     R    70_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     R    71_A     R    71_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     V    72_A     V    72_A     83  101  106     51   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     I    73_A     I    73_A     83  101  106     51   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     R    74_A     R    74_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     I    75_A     I    75_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     I    76_A     I    76_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     N    77_A     N    77_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     K    78_A     K    78_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     L    79_A     L    79_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     T    80_A     T    80_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     K    81_A     K    81_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     K    82_A     K    82_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     F    83_A     F    83_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     T    84_A     T    84_A     83  101  106     52   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     W    85_A     W    85_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     L    86_A     L    86_A     83  101  106     52   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     G    87_A     G    87_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     E    88_A     E    88_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     C    89_A     C    89_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     V    90_A     V    90_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     K    91_A     K    91_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     E    92_A     E    92_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     F    93_A     F    93_A     83  101  106     56   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     D    94_A     D    94_A     83  101  106     51   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     I    95_A     I    95_A     83  101  106     48   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     T    96_A     T    96_A     83  101  106     53   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     E    97_A     E    97_A     83  101  106     48   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     I    98_A     I    98_A     83  101  106     47   79   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     G    99_A     G    99_A     45  101  106      4   31   70   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     E   100_A     E   100_A     45  101  106     19   30   70   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     Q   101_A     Q   101_A     45  101  106     18   69   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     Y   102_A     Y   102_A     45  101  106     10   46   81   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     S   103_A     S   103_A     45  101  106      6   19   57   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     L   104_A     L   104_A     45  101  106      9   22   74   85   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     K   105_A     K   105_A     38  101  106      9   18   36   80   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     E   106_A     E   106_A     19  101  106      9   19   36   71   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     T   107_A     T   107_A     19  101  106      9   19   51   81   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     I   108_A     I   108_A     19  101  106      9   19   48   80   90   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     Q   109_A     Q   109_A     19  101  106      9   19   31   56   82   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     D   110_A     D   110_A     19  101  106      9   19   31   56   82   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     L   111_A     L   111_A     19  101  106      9   19   36   66   87   93   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     C   112_A     C   112_A     19  101  106      9   19   31   54   76   91   96   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     A   113_A     A   113_A     19  100  106      4   10   23   36   57   79   92   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     K   114_A     K   114_A     17  100  106      3    4    4   14   48   75   94   99   99  100  101  102  103  103  104  105  105  106  106  106 
LCS_GDT     D   115_A     D   115_A      4   56  106      3    4    4    5    5    6    7   10   43   54   77  100  103  103  104  105  105  106  106  106 
LCS_GDT     F   116_A     F   116_A      4    5  106      3    4    4    5    5    6    7    8   12   12   61   70   75   78   84   98  104  106  106  106 
LCS_GDT     H   117_A     H   117_A      4    5  106      3    4    4    5    5    6    7    8   12   16   22   41   75   93  102  105  105  106  106  106 
LCS_AVERAGE  LCS_A:  86.46  (  66.23   93.16  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     56     79     81     85     90     93     96     99     99    100    101    102    103    103    104    105    105    106    106    106 
GDT PERCENT_AT  52.83  74.53  76.42  80.19  84.91  87.74  90.57  93.40  93.40  94.34  95.28  96.23  97.17  97.17  98.11  99.06  99.06 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.46   0.53   0.77   1.15   1.42   1.60   1.82   1.82   1.86   1.94   2.03   2.22   2.14   2.32   2.63   2.63   2.91   2.91   2.91
GDT RMS_ALL_AT   3.79   3.76   3.73   3.54   3.28   3.12   3.06   3.00   3.00   3.04   3.03   3.00   2.97   3.01   2.98   2.93   2.93   2.91   2.91   2.91

# 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    65_A      E    65_A
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  E   100_A      E   100_A
#   possible swapping detected:  E   106_A      E   106_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    12_A      Q    12_A     6.475     0    0.446   0.943     9.058   14.405    9.471
LGA    D    13_A      D    13_A     5.349     0    0.094   0.968     7.504   25.000   24.643
LGA    P    14_A      P    14_A     7.789     0    0.200   0.191     9.416    8.571    5.986
LGA    G    15_A      G    15_A     5.665     0    0.204   0.204     6.089   24.048   24.048
LGA    I    16_A      I    16_A     2.433     0    0.130   0.136     3.505   59.405   65.119
LGA    N    17_A      N    17_A     1.913     0    0.023   1.101     3.822   77.143   65.476
LGA    R    18_A      R    18_A     1.294     0    0.060   0.511     2.515   79.286   75.325
LGA    K    19_A      K    19_A     1.042     0    0.030   0.656     3.188   81.429   78.942
LGA    A    20_A      A    20_A     1.033     0    0.036   0.069     1.050   85.952   85.048
LGA    I    21_A      I    21_A     0.928     0    0.013   0.051     1.029   85.952   88.214
LGA    N    22_A      N    22_A     0.889     0    0.008   0.153     1.302   90.476   89.345
LGA    F    23_A      F    23_A     0.696     0    0.045   0.092     0.945   90.476   90.476
LGA    D    24_A      D    24_A     0.707     0    0.056   0.151     0.863   90.476   90.476
LGA    L    25_A      L    25_A     0.819     0    0.068   0.092     0.991   90.476   90.476
LGA    S    26_A      S    26_A     0.831     0    0.087   0.102     0.930   90.476   90.476
LGA    T    27_A      T    27_A     1.249     0    0.066   0.074     1.578   81.429   80.204
LGA    K    28_A      K    28_A     1.295     0    0.068   1.058     5.588   81.429   67.937
LGA    S    29_A      S    29_A     1.096     0    0.044   0.072     1.146   81.429   81.429
LGA    L    30_A      L    30_A     1.157     0    0.048   0.104     1.254   81.429   81.429
LGA    E    31_A      E    31_A     1.402     0    0.025   0.116     1.659   81.429   77.619
LGA    K    32_A      K    32_A     1.248     0    0.066   0.930     5.886   81.429   61.111
LGA    Y    33_A      Y    33_A     1.455     0    0.049   0.175     1.613   77.143   82.262
LGA    F    34_A      F    34_A     1.714     0    0.024   0.080     1.895   72.857   72.857
LGA    K    35_A      K    35_A     2.222     0    0.046   0.440     3.432   64.762   60.582
LGA    D    36_A      D    36_A     2.297     0    0.024   0.205     2.804   64.762   60.952
LGA    T    37_A      T    37_A     2.064     0    0.036   0.057     2.104   66.786   67.075
LGA    R    38_A      R    38_A     2.084     0    0.018   1.284     5.880   68.810   57.056
LGA    E    39_A      E    39_A     1.805     0    0.017   0.108     2.257   75.000   72.910
LGA    P    40_A      P    40_A     1.631     0    0.049   0.333     1.897   75.000   76.599
LGA    Y    41_A      Y    41_A     1.567     0    0.035   0.224     2.389   75.000   70.873
LGA    S    42_A      S    42_A     1.623     0    0.033   0.655     3.171   72.857   69.048
LGA    L    43_A      L    43_A     1.404     0    0.028   0.177     1.686   81.429   80.357
LGA    I    44_A      I    44_A     1.196     0    0.033   0.074     1.319   81.429   81.429
LGA    K    45_A      K    45_A     1.335     0    0.047   0.136     2.338   81.429   76.720
LGA    K    46_A      K    46_A     1.296     0    0.038   0.555     2.432   81.429   75.820
LGA    F    47_A      F    47_A     1.015     0    0.036   0.053     1.132   85.952   90.563
LGA    M    48_A      M    48_A     0.951     0    0.020   0.767     3.296   90.476   85.476
LGA    L    49_A      L    49_A     1.035     0    0.067   0.421     2.036   83.690   81.607
LGA    E    50_A      E    50_A     0.888     0    0.029   0.155     1.899   90.476   85.503
LGA    N    51_A      N    51_A     0.449     0    0.056   0.100     0.614   92.857   91.667
LGA    G    52_A      G    52_A     0.592     0    0.083   0.083     0.852   90.476   90.476
LGA    F    53_A      F    53_A     0.985     0    0.039   0.069     1.433   85.952   90.563
LGA    E    54_A      E    54_A     1.870     0    0.025   0.690     2.435   75.000   72.963
LGA    H    55_A      H    55_A     1.591     0    0.057   0.266     2.179   72.857   70.429
LGA    R    56_A      R    56_A     1.754     0    0.531   0.926     3.238   65.119   60.823
LGA    Q    57_A      Q    57_A     3.860     0    0.609   1.312     7.384   36.905   30.423
LGA    Y    58_A      Y    58_A     4.155     0    0.231   1.283    10.962   41.905   23.016
LGA    S    59_A      S    59_A     3.695     0    0.593   0.531     4.849   43.690   40.556
LGA    G    60_A      G    60_A     1.063     0    0.174   0.174     1.090   83.690   83.690
LGA    Y    61_A      Y    61_A     1.237     0    0.118   0.177     1.560   81.429   80.714
LGA    T    62_A      T    62_A     1.189     0    0.020   1.148     2.317   81.429   76.667
LGA    S    63_A      S    63_A     1.076     0    0.036   0.099     1.227   81.429   81.429
LGA    K    64_A      K    64_A     1.398     0    0.044   0.853     2.347   79.286   76.720
LGA    E    65_A      E    65_A     1.500     0    0.045   0.187     1.892   79.286   77.619
LGA    P    66_A      P    66_A     1.521     0    0.058   0.049     1.672   72.857   72.857
LGA    I    67_A      I    67_A     1.335     0    0.034   1.067     2.604   81.429   75.238
LGA    N    68_A      N    68_A     1.440     0    0.048   0.128     1.575   81.429   79.286
LGA    E    69_A      E    69_A     1.363     0    0.053   0.882     5.048   81.429   64.921
LGA    R    70_A      R    70_A     1.190     0    0.063   1.274     6.340   83.690   64.545
LGA    R    71_A      R    71_A     0.340     0    0.065   1.419     8.290   97.619   60.952
LGA    V    72_A      V    72_A     0.684     0    0.066   0.124     1.143   90.476   89.184
LGA    I    73_A      I    73_A     1.020     0    0.108   1.523     4.113   88.214   76.131
LGA    R    74_A      R    74_A     0.760     0    0.023   1.505     5.903   90.476   72.164
LGA    I    75_A      I    75_A     0.303     0    0.056   0.090     0.410  100.000  100.000
LGA    I    76_A      I    76_A     0.391     0    0.036   0.086     0.712   95.238   97.619
LGA    N    77_A      N    77_A     0.938     0    0.087   1.301     3.004   88.214   79.940
LGA    K    78_A      K    78_A     1.070     0    0.029   0.653     2.641   83.690   77.884
LGA    L    79_A      L    79_A     0.858     0    0.072   0.098     1.064   88.214   89.345
LGA    T    80_A      T    80_A     0.972     0    0.034   0.187     1.245   85.952   86.599
LGA    K    81_A      K    81_A     1.386     0    0.019   0.341     2.506   79.286   75.873
LGA    K    82_A      K    82_A     1.478     0    0.054   0.581     3.457   77.143   76.032
LGA    F    83_A      F    83_A     1.358     0    0.013   0.192     1.861   81.429   78.312
LGA    T    84_A      T    84_A     1.594     0    0.106   0.111     2.326   77.143   71.837
LGA    W    85_A      W    85_A     1.361     0    0.083   0.121     1.628   83.690   80.238
LGA    L    86_A      L    86_A     1.152     0    0.014   0.287     1.302   81.429   84.821
LGA    G    87_A      G    87_A     1.071     0    0.022   0.022     1.136   85.952   85.952
LGA    E    88_A      E    88_A     0.974     0    0.127   1.012     2.452   85.952   81.640
LGA    C    89_A      C    89_A     1.062     0    0.076   0.096     1.062   85.952   85.952
LGA    V    90_A      V    90_A     0.813     0    0.012   0.172     1.044   88.214   87.891
LGA    K    91_A      K    91_A     0.539     0    0.058   0.509     2.280   90.476   85.608
LGA    E    92_A      E    92_A     0.523     0    0.041   0.617     2.059   92.857   82.804
LGA    F    93_A      F    93_A     0.546     0    0.114   0.143     0.977   92.857   91.342
LGA    D    94_A      D    94_A     0.493     0    0.024   0.069     0.607   95.238   96.429
LGA    I    95_A      I    95_A     0.564     0    0.014   0.643     2.091   90.476   90.833
LGA    T    96_A      T    96_A     0.961     0    0.056   0.292     1.634   88.214   85.374
LGA    E    97_A      E    97_A     0.826     0    0.053   0.785     3.062   90.476   82.063
LGA    I    98_A      I    98_A     0.788     0    0.037   1.448     3.314   90.476   79.048
LGA    G    99_A      G    99_A     1.720     0    0.497   0.497     3.083   69.286   69.286
LGA    E   100_A      E   100_A     1.755     0    0.062   1.014     2.985   72.976   66.720
LGA    Q   101_A      Q   101_A     0.625     0    0.018   1.048     4.537   90.476   74.709
LGA    Y   102_A      Y   102_A     0.689     0    0.024   0.135     2.794   92.857   78.373
LGA    S   103_A      S   103_A     1.828     0    0.041   0.051     3.073   72.976   66.508
LGA    L   104_A      L   104_A     1.374     0    0.044   0.150     1.810   77.143   83.810
LGA    K   105_A      K   105_A     2.309     0    0.033   0.748     6.476   64.881   50.370
LGA    E   106_A      E   106_A     2.663     0    0.090   1.324     6.704   57.262   40.476
LGA    T   107_A      T   107_A     2.235     0    0.021   0.045     2.603   62.857   65.986
LGA    I   108_A      I   108_A     2.425     0    0.023   0.098     2.953   60.952   64.881
LGA    Q   109_A      Q   109_A     3.629     0    0.035   0.278     4.362   43.452   42.011
LGA    D   110_A      D   110_A     3.940     0    0.012   0.151     4.295   41.786   40.238
LGA    L   111_A      L   111_A     3.447     0    0.023   0.049     4.088   45.119   53.095
LGA    C   112_A      C   112_A     4.238     0    0.404   0.433     4.555   38.810   39.286
LGA    A   113_A      A   113_A     5.893     0    0.148   0.163     6.532   21.429   19.810
LGA    K   114_A      K   114_A     5.068     0    0.518   0.899    11.524   25.000   18.466
LGA    D   115_A      D   115_A     9.406     0    0.146   1.255    13.738    2.857    1.429
LGA    F   116_A      F   116_A    14.234     0    0.643   1.449    23.455    0.000    0.000
LGA    H   117_A      H   117_A    13.112     0    0.202   1.026    19.120    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):     2.914          2.852                  3.676           73.293   69.650

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  138  106    4.0     99    1.82    86.792    89.381     5.161

LGA_LOCAL      RMSD:   1.818  Number of atoms:   99  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.999  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   2.914  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.149042 * X  +   0.269473 * Y  +   0.951405 * Z  +  -4.682287
  Y_new =   0.061808 * X  +  -0.962808 * Y  +   0.263021 * Z  + -40.008087
  Z_new =   0.986897 * X  +   0.019603 * Y  +  -0.160155 * Z  +  -3.037088 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.393114 -1.408738  3.019798   [DEG:   22.5238  -80.7147  173.0217 ]
ZXZ:  1.840515  1.731644  1.550936   [DEG:  105.4537   99.2159   88.8621 ]
 
# END of job
