
#######################################################
#                                                     #
#                        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       2.64     2.64
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      12_A - 114_A       1.86     2.74
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.99     2.70
  LCS_AVERAGE:     95.43

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87      16_A - 102_A       0.98     3.12
  LONGEST_CONTINUOUS_SEGMENT:    87      17_A - 103_A       1.00     3.08
  LCS_AVERAGE:     72.02

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  103  106      3    4    8   12   65   77   90   93   95  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     D    13_A     D    13_A      6  103  106      3    6   12   78   82   85   90   94  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     P    14_A     P    14_A      6  103  106      3    6    8   15   27   77   85   93   94   97  101  103  103  103  105  105  106  106  106  106 
LCS_GDT     G    15_A     G    15_A     43  103  106      3    6    8   28   39   83   90   94  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     I    16_A     I    16_A     87  103  106     25   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     N    17_A     N    17_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     R    18_A     R    18_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     K    19_A     K    19_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     A    20_A     A    20_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     I    21_A     I    21_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     N    22_A     N    22_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     F    23_A     F    23_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     D    24_A     D    24_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     L    25_A     L    25_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     S    26_A     S    26_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     T    27_A     T    27_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     K    28_A     K    28_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     S    29_A     S    29_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     L    30_A     L    30_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     E    31_A     E    31_A     87  103  106     49   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     K    32_A     K    32_A     87  103  106     55   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     Y    33_A     Y    33_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     F    34_A     F    34_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     K    35_A     K    35_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     D    36_A     D    36_A     87  103  106     58   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     T    37_A     T    37_A     87  103  106     52   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     R    38_A     R    38_A     87  103  106     34   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     E    39_A     E    39_A     87  103  106     59   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     P    40_A     P    40_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     Y    41_A     Y    41_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     S    42_A     S    42_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     L    43_A     L    43_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     I    44_A     I    44_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     K    45_A     K    45_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     K    46_A     K    46_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     F    47_A     F    47_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     M    48_A     M    48_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     L    49_A     L    49_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     E    50_A     E    50_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     N    51_A     N    51_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     G    52_A     G    52_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     F    53_A     F    53_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     E    54_A     E    54_A     87  103  106     19   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     H    55_A     H    55_A     87  103  106     48   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     R    56_A     R    56_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     Q    57_A     Q    57_A     87  103  106      3   14   19   28   85   93   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     Y    58_A     Y    58_A     87  103  106      3    3    8   12   60   88   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     S    59_A     S    59_A     87  103  106      3    3    8   34   69   93   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     G    60_A     G    60_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     Y    61_A     Y    61_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     T    62_A     T    62_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     S    63_A     S    63_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     K    64_A     K    64_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     E    65_A     E    65_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     P    66_A     P    66_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     I    67_A     I    67_A     87  103  106     55   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     N    68_A     N    68_A     87  103  106     49   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     E    69_A     E    69_A     87  103  106     51   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     R    70_A     R    70_A     87  103  106     55   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     R    71_A     R    71_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     V    72_A     V    72_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     I    73_A     I    73_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     R    74_A     R    74_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     I    75_A     I    75_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     I    76_A     I    76_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     N    77_A     N    77_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     K    78_A     K    78_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     L    79_A     L    79_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     T    80_A     T    80_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     K    81_A     K    81_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     K    82_A     K    82_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     F    83_A     F    83_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     T    84_A     T    84_A     87  103  106     51   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     W    85_A     W    85_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     L    86_A     L    86_A     87  103  106     48   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     G    87_A     G    87_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     E    88_A     E    88_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     C    89_A     C    89_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     V    90_A     V    90_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     K    91_A     K    91_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     E    92_A     E    92_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     F    93_A     F    93_A     87  103  106     60   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     D    94_A     D    94_A     87  103  106     56   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     I    95_A     I    95_A     87  103  106     34   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     T    96_A     T    96_A     87  103  106     34   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     E    97_A     E    97_A     87  103  106     34   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     I    98_A     I    98_A     87  103  106     28   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     G    99_A     G    99_A     87  103  106     14   59   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     E   100_A     E   100_A     87  103  106      6   75   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     Q   101_A     Q   101_A     87  103  106     52   81   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     Y   102_A     Y   102_A     87  103  106     18   79   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     S   103_A     S   103_A     87  103  106      5   38   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     L   104_A     L   104_A     49  103  106      9   59   85   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     K   105_A     K   105_A     49  103  106      9   25   79   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     E   106_A     E   106_A     49  103  106      9   24   77   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     T   107_A     T   107_A     49  103  106      9   36   79   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     I   108_A     I   108_A     49  103  106      9   25   75   90   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     Q   109_A     Q   109_A     20  103  106      9   22   51   85   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     D   110_A     D   110_A     20  103  106      9   22   54   85   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     L   111_A     L   111_A     20  103  106      9   22   59   86   93   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     C   112_A     C   112_A     20  103  106      9   21   42   73   92   94   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     A   113_A     A   113_A     19  103  106      4   11   26   50   77   92   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     K   114_A     K   114_A     19  103  106      3    4    4   25   68   93   99   99  101  102  102  103  103  103  105  105  106  106  106  106 
LCS_GDT     D   115_A     D   115_A      4  103  106      3    4    4    5    5    6    8   10   41   57   81  102  103  103  105  105  106  106  106  106 
LCS_GDT     F   116_A     F   116_A      4    5  106      3    4    4    5    5    6    7    9   12   50   53   62   74   78  100  102  106  106  106  106 
LCS_GDT     H   117_A     H   117_A      4    5  106      3    4    4    5    5    6    7    9   13   50   53   62   74   97  105  105  106  106  106  106 
LCS_AVERAGE  LCS_A:  89.15  (  72.02   95.43  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     60     81     85     90     93     94     99     99    101    102    102    103    103    103    105    105    106    106    106    106 
GDT PERCENT_AT  56.60  76.42  80.19  84.91  87.74  88.68  93.40  93.40  95.28  96.23  96.23  97.17  97.17  97.17  99.06  99.06 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.47   0.59   0.87   1.10   1.18   1.50   1.50   1.66   1.75   1.75   1.86   1.86   1.86   2.35   2.35   2.64   2.64   2.64   2.64
GDT RMS_ALL_AT   3.32   3.25   3.16   2.97   2.85   2.81   2.73   2.73   2.73   2.73   2.73   2.74   2.74   2.74   2.66   2.66   2.64   2.64   2.64   2.64

# Checking swapping
#   possible swapping detected:  F    23_A      F    23_A
#   possible swapping detected:  E    31_A      E    31_A
#   possible swapping detected:  Y    33_A      Y    33_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  F    53_A      F    53_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  E    97_A      E    97_A
#   possible swapping detected:  E   100_A      E   100_A
#   possible swapping detected:  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     6.420     0    0.427   0.875     7.564   13.690   13.968
LGA    D    13_A      D    13_A     5.745     0    0.091   0.891     8.195   23.929   21.310
LGA    P    14_A      P    14_A     7.320     0    0.236   0.223     9.058   10.833    7.483
LGA    G    15_A      G    15_A     5.044     0    0.196   0.196     5.548   32.024   32.024
LGA    I    16_A      I    16_A     1.837     0    0.175   0.158     2.906   68.929   73.036
LGA    N    17_A      N    17_A     1.343     0    0.022   1.112     3.031   83.690   73.452
LGA    R    18_A      R    18_A     0.921     0    0.046   0.522     2.896   88.214   80.952
LGA    K    19_A      K    19_A     0.775     0    0.036   0.665     2.877   90.476   86.772
LGA    A    20_A      A    20_A     0.769     0    0.023   0.026     0.809   90.476   90.476
LGA    I    21_A      I    21_A     0.689     0    0.016   0.063     0.786   90.476   90.476
LGA    N    22_A      N    22_A     0.725     0    0.010   0.171     1.077   90.476   89.345
LGA    F    23_A      F    23_A     0.644     0    0.045   0.080     0.848   90.476   90.476
LGA    D    24_A      D    24_A     0.629     0    0.054   0.188     0.829   90.476   91.667
LGA    L    25_A      L    25_A     0.730     0    0.069   0.089     0.846   90.476   90.476
LGA    S    26_A      S    26_A     0.752     0    0.092   0.107     0.812   90.476   90.476
LGA    T    27_A      T    27_A     1.077     0    0.056   0.065     1.256   81.429   81.429
LGA    K    28_A      K    28_A     1.250     0    0.065   1.069     5.914   81.429   66.138
LGA    S    29_A      S    29_A     1.040     0    0.038   0.066     1.102   83.690   84.444
LGA    L    30_A      L    30_A     0.918     0    0.040   0.105     1.009   90.476   89.345
LGA    E    31_A      E    31_A     1.094     0    0.023   0.102     1.339   81.429   81.429
LGA    K    32_A      K    32_A     0.925     0    0.066   0.925     5.804   90.476   66.138
LGA    Y    33_A      Y    33_A     1.077     0    0.042   0.127     1.252   81.429   81.429
LGA    F    34_A      F    34_A     1.332     0    0.023   0.055     1.807   81.429   76.753
LGA    K    35_A      K    35_A     1.671     0    0.026   0.433     2.656   72.857   69.312
LGA    D    36_A      D    36_A     1.805     0    0.023   0.227     2.359   72.857   68.810
LGA    T    37_A      T    37_A     1.642     0    0.024   0.048     1.719   72.857   75.306
LGA    R    38_A      R    38_A     1.758     0    0.017   1.302     5.510   72.857   61.991
LGA    E    39_A      E    39_A     1.491     0    0.014   0.079     1.921   79.286   75.714
LGA    P    40_A      P    40_A     1.256     0    0.017   0.026     1.376   81.429   81.429
LGA    Y    41_A      Y    41_A     1.249     0    0.040   0.231     2.071   81.429   76.508
LGA    S    42_A      S    42_A     1.244     0    0.028   0.646     2.836   81.429   77.381
LGA    L    43_A      L    43_A     1.064     0    0.026   0.144     1.326   85.952   84.821
LGA    I    44_A      I    44_A     0.926     0    0.033   0.090     1.117   90.476   89.345
LGA    K    45_A      K    45_A     0.985     0    0.046   0.147     1.945   88.214   83.492
LGA    K    46_A      K    46_A     0.910     0    0.036   0.554     2.263   90.476   82.646
LGA    F    47_A      F    47_A     0.706     0    0.047   0.087     0.798   90.476   93.939
LGA    M    48_A      M    48_A     0.664     0    0.016   0.774     3.056   90.476   86.607
LGA    L    49_A      L    49_A     0.661     0    0.050   0.415     1.759   90.476   89.464
LGA    E    50_A      E    50_A     0.578     0    0.019   0.156     1.710   95.238   87.619
LGA    N    51_A      N    51_A     0.156     0    0.042   0.089     0.422  100.000  100.000
LGA    G    52_A      G    52_A     0.518     0    0.053   0.053     0.813   92.857   92.857
LGA    F    53_A      F    53_A     0.815     0    0.033   0.081     1.128   85.952   89.697
LGA    E    54_A      E    54_A     1.524     0    0.022   0.137     2.400   79.286   73.968
LGA    H    55_A      H    55_A     1.390     0    0.097   0.319     2.042   79.286   74.619
LGA    R    56_A      R    56_A     1.605     0    0.568   1.021     4.493   68.929   57.229
LGA    Q    57_A      Q    57_A     3.481     0    0.606   1.348     7.334   40.357   31.905
LGA    Y    58_A      Y    58_A     4.365     0    0.216   1.268    11.437   38.929   20.794
LGA    S    59_A      S    59_A     3.810     0    0.587   0.525     4.799   40.476   38.413
LGA    G    60_A      G    60_A     0.702     0    0.176   0.176     0.766   90.476   90.476
LGA    Y    61_A      Y    61_A     0.850     0    0.087   0.152     1.216   90.476   87.460
LGA    T    62_A      T    62_A     0.873     0    0.027   1.096     2.249   90.476   81.837
LGA    S    63_A      S    63_A     0.882     0    0.029   0.080     1.023   90.476   88.968
LGA    K    64_A      K    64_A     1.076     0    0.012   0.792     1.877   83.690   81.534
LGA    E    65_A      E    65_A     1.238     0    0.048   0.185     1.596   81.429   80.476
LGA    P    66_A      P    66_A     1.199     0    0.051   0.048     1.347   81.429   81.429
LGA    I    67_A      I    67_A     0.958     0    0.045   0.131     1.035   88.214   89.345
LGA    N    68_A      N    68_A     1.056     0    0.056   0.201     1.619   88.214   84.881
LGA    E    69_A      E    69_A     0.914     0    0.066   1.006     4.649   90.476   67.619
LGA    R    70_A      R    70_A     0.904     0    0.056   1.139     6.486   90.476   62.857
LGA    R    71_A      R    71_A     0.437     0    0.038   1.334     6.145   97.619   73.074
LGA    V    72_A      V    72_A     0.510     0    0.058   0.110     0.689   92.857   91.837
LGA    I    73_A      I    73_A     0.727     0    0.093   1.733     3.765   90.476   76.488
LGA    R    74_A      R    74_A     0.500     0    0.022   1.444     6.043   95.238   75.801
LGA    I    75_A      I    75_A     0.208     0    0.053   0.088     0.354  100.000  100.000
LGA    I    76_A      I    76_A     0.342     0    0.050   0.095     0.673   95.238   97.619
LGA    N    77_A      N    77_A     0.747     0    0.102   1.280     3.111   90.476   81.071
LGA    K    78_A      K    78_A     0.842     0    0.031   0.666     2.917   90.476   81.058
LGA    L    79_A      L    79_A     0.651     0    0.070   0.104     0.793   90.476   92.857
LGA    T    80_A      T    80_A     0.747     0    0.022   0.142     0.905   90.476   90.476
LGA    K    81_A      K    81_A     1.051     0    0.021   0.338     2.228   83.690   80.582
LGA    K    82_A      K    82_A     1.109     0    0.052   0.574     2.816   81.429   81.746
LGA    F    83_A      F    83_A     1.043     0    0.013   0.225     1.571   85.952   82.338
LGA    T    84_A      T    84_A     1.281     0    0.101   0.106     1.935   81.429   77.755
LGA    W    85_A      W    85_A     1.108     0    0.081   0.101     1.233   85.952   84.014
LGA    L    86_A      L    86_A     1.022     0    0.013   0.291     1.183   85.952   87.083
LGA    G    87_A      G    87_A     0.926     0    0.024   0.024     0.988   90.476   90.476
LGA    E    88_A      E    88_A     0.829     0    0.134   1.132     2.897   88.214   80.847
LGA    C    89_A      C    89_A     0.890     0    0.078   0.097     0.890   90.476   90.476
LGA    V    90_A      V    90_A     0.787     0    0.013   0.174     1.125   90.476   89.184
LGA    K    91_A      K    91_A     0.528     0    0.046   0.525     2.185   95.238   87.725
LGA    E    92_A      E    92_A     0.541     0    0.035   1.122     5.301   92.857   71.958
LGA    F    93_A      F    93_A     0.520     0    0.078   0.114     1.013   92.857   90.519
LGA    D    94_A      D    94_A     0.542     0    0.020   0.129     0.713   90.476   92.857
LGA    I    95_A      I    95_A     0.568     0    0.023   0.624     2.062   90.476   89.643
LGA    T    96_A      T    96_A     0.691     0    0.030   1.127     3.207   90.476   82.177
LGA    E    97_A      E    97_A     0.682     0    0.025   0.751     3.037   90.476   84.974
LGA    I    98_A      I    98_A     0.813     0    0.040   0.809     3.031   90.476   86.607
LGA    G    99_A      G    99_A     1.353     0    0.459   0.459     2.352   77.262   77.262
LGA    E   100_A      E   100_A     1.407     0    0.065   1.008     3.852   79.286   68.148
LGA    Q   101_A      Q   101_A     0.904     0    0.029   0.844     2.990   90.595   80.000
LGA    Y   102_A      Y   102_A     0.241     0    0.021   0.143     1.355   95.238   91.349
LGA    S   103_A      S   103_A     1.348     0    0.029   0.054     2.404   83.690   78.730
LGA    L   104_A      L   104_A     1.145     0    0.048   0.155     1.427   81.429   85.952
LGA    K   105_A      K   105_A     1.649     0    0.031   0.743     5.068   75.000   62.698
LGA    E   106_A      E   106_A     1.732     0    0.085   1.314     5.528   70.833   52.487
LGA    T   107_A      T   107_A     1.597     0    0.020   0.058     1.988   75.000   76.531
LGA    I   108_A      I   108_A     1.916     0    0.020   0.094     2.346   68.810   69.821
LGA    Q   109_A      Q   109_A     2.760     0    0.029   0.315     3.401   57.262   55.608
LGA    D   110_A      D   110_A     2.976     0    0.017   0.150     3.262   55.357   53.571
LGA    L   111_A      L   111_A     2.851     0    0.023   0.048     3.505   51.905   59.345
LGA    C   112_A      C   112_A     3.611     0    0.400   0.428     3.841   46.667   46.667
LGA    A   113_A      A   113_A     4.925     0    0.146   0.161     5.451   31.429   30.381
LGA    K   114_A      K   114_A     4.114     0    0.519   0.900    11.380   32.976   23.704
LGA    D   115_A      D   115_A     9.145     0    0.148   1.264    13.769    3.690    1.845
LGA    F   116_A      F   116_A    13.564     0    0.641   1.455    22.598    0.000    0.000
LGA    H   117_A      H   117_A    12.169     0    0.202   0.976    18.803    0.476    0.190

# 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):     2.645          2.588                  3.437           77.860   73.734

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  138  106    4.0     99    1.50    88.443    91.392     6.176

LGA_LOCAL      RMSD:   1.503  Number of atoms:   99  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.734  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   2.645  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.180740 * X  +   0.379173 * Y  +  -0.907503 * Z  +  -7.589500
  Y_new =   0.021915 * X  +  -0.920917 * Y  +  -0.389142 * Z  + -41.892277
  Z_new =  -0.983287 * X  +  -0.090221 * Y  +   0.158137 * Z  +  -3.411384 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.020931  1.387712 -0.518465   [DEG:  173.0866   79.5100  -29.7059 ]
ZXZ: -1.165707  1.411993 -1.662295   [DEG:  -66.7901   80.9012  -95.2425 ]
 
# END of job
