
#######################################################
#                                                     #
#                        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  128 ( 1049),  selected  105 , name one
# Molecule2: number of CA atoms  105 (  864),  selected  105 , 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:   105      22_A - 126_A       2.66     2.66
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      22_A - 95_A        1.76     2.81
  LCS_AVERAGE:     55.58

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    69      22_A - 90_A        0.97     2.98
  LONGEST_CONTINUOUS_SEGMENT:    69      23_A - 91_A        0.98     2.93
  LCS_AVERAGE:     48.42

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  105
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     N    22_A     N    22_A     69   74  105      3   10   38   70   84   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     K    23_A     K    23_A     69   74  105     29   71   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     V    24_A     V    24_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     H    25_A     H    25_A     69   74  105     33   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     I    26_A     I    26_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     I    27_A     I    27_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     K    28_A     K    28_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     C    29_A     C    29_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     H    30_A     H    30_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     F    31_A     F    31_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     D    32_A     D    32_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     K    33_A     K    33_A     69   74  105     38   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     C    34_A     C    34_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     N    35_A     N    35_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     K    36_A     K    36_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     S    37_A     S    37_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     Y    38_A     Y    38_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     N    39_A     N    39_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     W    40_A     W    40_A     69   74  105     37   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     R    41_A     R    41_A     69   74  105     36   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     K    42_A     K    42_A     69   74  105     33   72   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     K    43_A     K    43_A     69   74  105     33   72   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     Y    44_A     Y    44_A     69   74  105     33   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     G    45_A     G    45_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     K    46_A     K    46_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     L    47_A     L    47_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     R    48_A     R    48_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     L    49_A     L    49_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     V    50_A     V    50_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     D    51_A     D    51_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     H    52_A     H    52_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     A    53_A     A    53_A     69   74  105     36   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     F    54_A     F    54_A     69   74  105     31   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     T    55_A     T    55_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     H    56_A     H    56_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     V    57_A     V    57_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     P    58_A     P    58_A     69   74  105      3    3   56   82   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     H    59_A     H    59_A     69   74  105     38   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     L    60_A     L    60_A     69   74  105     38   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     K    61_A     K    61_A     69   74  105     38   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     M    62_A     M    62_A     69   74  105     38   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     K    63_A     K    63_A     69   74  105     35   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     C    64_A     C    64_A     69   74  105     25   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     N    65_A     N    65_A     69   74  105     25   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     F    66_A     F    66_A     69   74  105     25   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     C    67_A     C    67_A     69   74  105     25   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     D    68_A     D    68_A     69   74  105     25   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     Y    69_A     Y    69_A     69   74  105     35   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     M    70_A     M    70_A     69   74  105     36   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     C    71_A     C    71_A     69   74  105     38   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     K    72_A     K    72_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     G    73_A     G    73_A     69   74  105     38   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     I    74_A     I    74_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     R    75_A     R    75_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     N    76_A     N    76_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     I    77_A     I    77_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     R    78_A     R    78_A     69   74  105     37   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     L    79_A     L    79_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     H    80_A     H    80_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     H    81_A     H    81_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     K    82_A     K    82_A     69   74  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     K    83_A     K    83_A     69   74  105     37   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     S    84_A     S    84_A     69   74  105     35   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     H    85_A     H    85_A     69   74  105     35   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     P    86_A     P    86_A     69   74  105     25   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     D    87_A     D    87_A     69   74  105     10   39   82   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     E    88_A     E    88_A     69   74  105     25   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     Q    89_A     Q    89_A     69   74  105      3   10   50   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     L    90_A     L    90_A     69   74  105      3    3    8   11   14   53   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     T    91_A     T    91_A     69   74  105      3   37   69   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     G    92_A     G    92_A      4   74  105      3   37   66   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     F    93_A     F    93_A      4   74  105      3   32   56   70   82   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     G    94_A     G    94_A      9   74  105      5    6   13   18   28   39   54   65   75   86   94  101  105  105  105  105  105  105  105  105 
LCS_GDT     I    95_A     I    95_A      9   74  105      5    5   10   15   22   35   53   74   87   96  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     K    96_A     K    96_A      9   12  105      5    6   10   14   20   25   31   42   52   72   88   98  105  105  105  105  105  105  105  105 
LCS_GDT     S    97_A     S    97_A      9   12  105      5    6   10   15   21   30   36   45   61   75   89   99  105  105  105  105  105  105  105  105 
LCS_GDT     V    98_A     V    98_A      9   12  105      5    9   14   22   32   55   70   89   95   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     V    99_A     V    99_A      9   12  105      4    6   11   29   53   88   91   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     R   100_A     R   100_A      9   12  105      4    9   14   22   31   46   58   83   92   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     T   101_A     T   101_A      9   12  105      4    6   10   15   20   27   41   62   79   95  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     S   102_A     S   102_A      9   24  105      3    6   16   31   55   68   80   92   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     K   103_A     K   103_A      7   24  105      3   16   31   53   75   88   91   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     K   104_A     K   104_A      4   24  105      3    3    7   34   83   89   92   93   96   97   98  100  105  105  105  105  105  105  105  105 
LCS_GDT     G   105_A     G   105_A     20   24  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     K   106_A     K   106_A     20   24  105     21   67   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     D   107_A     D   107_A     20   24  105     16   64   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     L   108_A     L   108_A     20   24  105     15   67   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     A   109_A     A   109_A     20   24  105     30   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     K   110_A     K   110_A     20   24  105     30   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     V   111_A     V   111_A     20   24  105     30   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     W   112_A     W   112_A     20   24  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     D   113_A     D   113_A     20   24  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     E   114_A     E   114_A     20   24  105     37   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     C   115_A     C   115_A     20   24  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     F   116_A     F   116_A     20   24  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     K   117_A     K   117_A     20   24  105     19   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     K   118_A     K   118_A     20   24  105     38   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     N   119_A     N   119_A     20   24  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     R   120_A     R   120_A     20   24  105     38   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     V   121_A     V   121_A     20   24  105     39   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     L   122_A     L   122_A     20   24  105     24   74   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     Q   123_A     Q   123_A     20   24  105      5   55   83   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     H   124_A     H   124_A     20   24  105      3   17   49   86   89   90   92   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     G   125_A     G   125_A      4   24  105      3    3    4    4   21   63   83   94   96   97  100  101  105  105  105  105  105  105  105  105 
LCS_GDT     S   126_A     S   126_A      4    4  105      3    3    4    4    4    5    7    9    9   84   98  101  105  105  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  68.00  (  48.42   55.58  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     39     74     83     86     89     90     92     94     96     97    100    101    105    105    105    105    105    105    105    105 
GDT PERCENT_AT  37.14  70.48  79.05  81.90  84.76  85.71  87.62  89.52  91.43  92.38  95.24  96.19 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.59   0.72   0.80   0.93   0.98   1.11   1.34   1.45   1.56   2.07   2.21   2.66   2.66   2.66   2.66   2.66   2.66   2.66   2.66
GDT RMS_ALL_AT   2.84   2.91   2.88   2.89   2.87   2.88   2.89   2.81   2.83   2.80   2.69   2.68   2.66   2.66   2.66   2.66   2.66   2.66   2.66   2.66

# Checking swapping
#   possible swapping detected:  F    31_A      F    31_A
#   possible swapping detected:  D    68_A      D    68_A
#   possible swapping detected:  Y    69_A      Y    69_A
#   possible swapping detected:  F    93_A      F    93_A
#   possible swapping detected:  D   113_A      D   113_A
#   possible swapping detected:  E   114_A      E   114_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    22_A      N    22_A     3.273     0    0.335   0.958     5.428   59.405   48.512
LGA    K    23_A      K    23_A     1.073     0    0.139   0.794     4.362   81.548   71.164
LGA    V    24_A      V    24_A     0.394     0    0.022   0.041     0.752   92.857   95.918
LGA    H    25_A      H    25_A     0.717     0    0.073   0.098     1.406   90.476   85.952
LGA    I    26_A      I    26_A     0.469     0    0.012   1.277     3.372   97.619   81.607
LGA    I    27_A      I    27_A     0.398     0    0.036   0.064     0.610  100.000   98.810
LGA    K    28_A      K    28_A     0.457     0    0.011   0.107     1.268  100.000   92.698
LGA    C    29_A      C    29_A     0.415     0    0.032   0.093     0.895   95.238   95.238
LGA    H    30_A      H    30_A     0.630     0    0.011   0.143     0.907   90.476   93.333
LGA    F    31_A      F    31_A     0.763     0    0.033   0.045     0.916   90.476   90.476
LGA    D    32_A      D    32_A     0.792     0    0.034   0.395     1.232   90.476   89.345
LGA    K    33_A      K    33_A     0.737     0    0.048   0.870     3.851   90.476   78.995
LGA    C    34_A      C    34_A     0.780     0    0.105   0.112     0.864   90.476   90.476
LGA    N    35_A      N    35_A     0.848     0    0.019   0.155     1.591   90.476   84.881
LGA    K    36_A      K    36_A     0.666     0    0.044   0.878     2.757   90.476   78.201
LGA    S    37_A      S    37_A     0.647     0    0.050   0.070     0.838   90.476   90.476
LGA    Y    38_A      Y    38_A     0.403     0    0.074   0.153     1.260  100.000   92.183
LGA    N    39_A      N    39_A     0.209     0    0.108   0.191     1.113  100.000   96.488
LGA    W    40_A      W    40_A     0.468     0    0.011   0.126     0.824   95.238   93.197
LGA    R    41_A      R    41_A     0.763     0    0.048   0.985     4.211   88.214   77.489
LGA    K    42_A      K    42_A     1.058     0    0.022   0.855     3.809   83.690   76.296
LGA    K    43_A      K    43_A     1.302     0    0.041   0.820     7.447   79.286   58.889
LGA    Y    44_A      Y    44_A     1.068     0    0.129   0.143     1.551   81.429   81.468
LGA    G    45_A      G    45_A     0.750     0    0.025   0.025     0.970   90.476   90.476
LGA    K    46_A      K    46_A     0.193     0    0.052   0.537     1.491  100.000   94.815
LGA    L    47_A      L    47_A     0.237     0    0.026   0.113     0.504  100.000   98.810
LGA    R    48_A      R    48_A     0.211     0    0.032   1.102     4.166  100.000   81.342
LGA    L    49_A      L    49_A     0.187     0    0.013   0.038     0.278  100.000  100.000
LGA    V    50_A      V    50_A     0.579     0    0.023   0.046     0.690   92.857   91.837
LGA    D    51_A      D    51_A     0.633     0    0.018   0.057     1.107   90.476   88.214
LGA    H    52_A      H    52_A     0.112     0    0.049   0.354     1.266  100.000   93.429
LGA    A    53_A      A    53_A     0.578     0    0.033   0.043     0.775   92.857   92.381
LGA    F    54_A      F    54_A     0.845     0    0.021   0.768     4.157   90.476   75.671
LGA    T    55_A      T    55_A     0.529     0    0.044   0.080     0.868   97.619   94.558
LGA    H    56_A      H    56_A     0.149     0    0.037   0.214     1.020  100.000   95.286
LGA    V    57_A      V    57_A     0.477     0    0.223   0.192     1.424   90.714   93.333
LGA    P    58_A      P    58_A     2.676     0    0.677   0.625     4.133   57.976   54.626
LGA    H    59_A      H    59_A     1.057     0    0.131   1.069     7.411   85.952   53.286
LGA    L    60_A      L    60_A     0.977     0    0.058   1.400     4.565   85.952   71.369
LGA    K    61_A      K    61_A     0.636     0    0.031   0.901     2.205   90.476   85.714
LGA    M    62_A      M    62_A     0.797     0    0.015   0.800     2.848   90.476   86.310
LGA    K    63_A      K    63_A     0.929     0    0.023   1.083     7.274   88.214   63.651
LGA    C    64_A      C    64_A     1.044     0    0.051   0.128     1.513   79.286   81.508
LGA    N    65_A      N    65_A     1.464     0    0.064   0.171     2.032   81.429   76.131
LGA    F    66_A      F    66_A     1.135     0    0.024   0.091     1.460   81.429   82.251
LGA    C    67_A      C    67_A     1.123     0    0.050   0.087     1.177   81.429   81.429
LGA    D    68_A      D    68_A     1.298     0    0.034   0.317     2.719   81.429   74.167
LGA    Y    69_A      Y    69_A     0.812     0    0.048   0.051     0.919   90.476   93.651
LGA    M    70_A      M    70_A     0.803     0    0.087   0.234     1.964   90.476   86.012
LGA    C    71_A      C    71_A     0.543     0    0.084   0.123     0.806   92.857   95.238
LGA    K    72_A      K    72_A     0.246     0    0.047   0.699     2.031  100.000   91.111
LGA    G    73_A      G    73_A     0.360     0    0.068   0.068     0.360  100.000  100.000
LGA    I    74_A      I    74_A     0.530     0    0.049   0.071     0.731   92.857   91.667
LGA    R    75_A      R    75_A     0.897     0    0.024   0.678     2.521   90.476   78.745
LGA    N    76_A      N    76_A     0.673     0    0.038   0.085     0.885   92.857   91.667
LGA    I    77_A      I    77_A     0.312     0    0.031   0.085     0.602   95.238   97.619
LGA    R    78_A      R    78_A     1.011     0    0.015   0.293     2.335   85.952   76.970
LGA    L    79_A      L    79_A     1.011     0    0.037   1.383     4.489   88.214   71.429
LGA    H    80_A      H    80_A     0.542     0    0.072   0.195     0.870   90.476   92.381
LGA    H    81_A      H    81_A     0.594     0    0.020   1.112     5.549   90.476   66.429
LGA    K    82_A      K    82_A     0.854     0    0.089   0.538     2.570   88.214   85.767
LGA    K    83_A      K    83_A     0.687     0    0.036   0.385     3.147   92.857   81.217
LGA    S    84_A      S    84_A     0.371     0    0.007   0.047     0.546   97.619   98.413
LGA    H    85_A      H    85_A     0.569     0    0.030   0.142     1.028   90.595   90.524
LGA    P    86_A      P    86_A     1.042     0    0.093   0.094     1.845   81.548   88.095
LGA    D    87_A      D    87_A     1.954     0    0.023   1.121     5.810   72.857   55.774
LGA    E    88_A      E    88_A     1.139     0    0.209   0.306     2.624   83.690   78.836
LGA    Q    89_A      Q    89_A     1.910     0    0.629   0.864     6.250   67.262   48.254
LGA    L    90_A      L    90_A     3.975     0    0.256   1.431    11.191   46.905   26.310
LGA    T    91_A      T    91_A     2.634     0    0.415   0.793     5.975   67.024   49.728
LGA    G    92_A      G    92_A     2.378     0    0.047   0.047     3.088   63.333   63.333
LGA    F    93_A      F    93_A     3.379     0    0.561   1.334     6.444   44.762   37.446
LGA    G    94_A      G    94_A     8.780     0    0.634   0.634     8.780    6.429    6.429
LGA    I    95_A      I    95_A     7.299     0    0.028   0.246     7.880    7.857   10.357
LGA    K    96_A      K    96_A     9.585     0    0.235   0.701    15.058    0.952    0.423
LGA    S    97_A      S    97_A     9.675     0    0.177   0.207    11.002    2.381    1.587
LGA    V    98_A      V    98_A     6.512     0    0.045   0.060     7.759   17.024   20.000
LGA    V    99_A      V    99_A     4.995     0    0.038   0.049     5.654   27.619   26.327
LGA    R   100_A      R   100_A     8.000     0    0.179   0.660    15.592    5.595    2.078
LGA    T   101_A      T   101_A     8.768     0    0.079   0.145    11.630    4.881    2.993
LGA    S   102_A      S   102_A     5.827     0    0.324   0.364     6.432   26.786   28.333
LGA    K   103_A      K   103_A     4.290     0    0.454   0.363    12.715   43.929   22.381
LGA    K   104_A      K   104_A     4.173     4    0.058   0.060     7.081   42.143   19.841
LGA    G   105_A      G   105_A     0.426     0    0.239   0.239     0.839   92.857   92.857
LGA    K   106_A      K   106_A     1.048     0    0.037   1.068     4.537   83.690   71.481
LGA    D   107_A      D   107_A     1.143     0    0.095   0.134     1.836   83.690   80.417
LGA    L   108_A      L   108_A     1.114     0    0.040   1.421     4.697   85.952   68.750
LGA    A   109_A      A   109_A     0.480     0    0.069   0.079     0.755   97.619   96.190
LGA    K   110_A      K   110_A     0.398     0    0.050   0.730     2.344  100.000   88.254
LGA    V   111_A      V   111_A     0.568     0    0.037   0.880     2.480   92.857   85.646
LGA    W   112_A      W   112_A     0.236     0    0.011   0.111     1.036   97.619   92.585
LGA    D   113_A      D   113_A     0.382     0    0.053   0.464     1.788   95.238   93.036
LGA    E   114_A      E   114_A     0.632     0    0.051   0.113     1.136   90.476   89.471
LGA    C   115_A      C   115_A     0.535     0    0.019   0.055     0.782   92.857   92.063
LGA    F   116_A      F   116_A     0.655     0    0.059   0.161     1.166   90.476   88.009
LGA    K   117_A      K   117_A     0.685     0    0.017   0.688     2.470   90.476   84.762
LGA    K   118_A      K   118_A     0.424     0    0.021   0.087     0.527   97.619   98.942
LGA    N   119_A      N   119_A     0.310     0    0.036   0.069     0.382  100.000  100.000
LGA    R   120_A      R   120_A     0.472     6    0.039   0.038     0.654  100.000   44.589
LGA    V   121_A      V   121_A     0.465     0    0.059   1.161     3.097   95.238   82.653
LGA    L   122_A      L   122_A     0.749     0    0.029   0.084     1.122   88.214   89.405
LGA    Q   123_A      Q   123_A     1.541     0    0.631   0.873     3.908   65.595   61.323
LGA    H   124_A      H   124_A     2.458     0    0.502   1.222    10.113   73.214   34.714
LGA    G   125_A      G   125_A     4.770     0    0.045   0.045     8.799   26.190   26.190
LGA    S   126_A      S   126_A     9.618     0    0.170   0.731    10.699    2.619    1.825

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      105     420    420  100.00     864    864  100.00               105
SUMMARY(RMSD_GDC):     2.657          2.609                  3.255           79.461   73.173

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0     94    1.34    85.476    79.526     6.541

LGA_LOCAL      RMSD:   1.337  Number of atoms:   94  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.806  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   2.657  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.661229 * X  +  -0.482886 * Y  +  -0.574106 * Z  +   5.285750
  Y_new =  -0.597297 * X  +  -0.124141 * Y  +   0.792355 * Z  + -23.641205
  Z_new =  -0.453887 * X  +   0.866839 * Y  +  -0.206341 * Z  +  15.326918 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.406950  0.471122  1.804486   [DEG: -137.9081   26.9933  103.3894 ]
ZXZ: -2.514575  1.778630 -0.482358   [DEG: -144.0745  101.9080  -27.6371 ]
 
# END of job
