
#######################################################
#                                                     #
#                        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       2.36     2.36
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      22_A - 96_A        1.98     2.50
  LCS_AVERAGE:     59.74

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    50      23_A - 72_A        0.98     2.70
  LONGEST_CONTINUOUS_SEGMENT:    50      24_A - 73_A        1.00     2.70
  LCS_AVERAGE:     35.11

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     45   75  105      3   10   32   56   85   90   94   96  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    23_A     K    23_A     50   75  105     34   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    24_A     V    24_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    25_A     H    25_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    26_A     I    26_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    27_A     I    27_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    28_A     K    28_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    29_A     C    29_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    30_A     H    30_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F    31_A     F    31_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D    32_A     D    32_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    33_A     K    33_A     50   75  105     33   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    34_A     C    34_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N    35_A     N    35_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    36_A     K    36_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S    37_A     S    37_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Y    38_A     Y    38_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N    39_A     N    39_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     W    40_A     W    40_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R    41_A     R    41_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    42_A     K    42_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    43_A     K    43_A     50   75  105     35   57   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Y    44_A     Y    44_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G    45_A     G    45_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    46_A     K    46_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    47_A     L    47_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R    48_A     R    48_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    49_A     L    49_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    50_A     V    50_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D    51_A     D    51_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    52_A     H    52_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     A    53_A     A    53_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F    54_A     F    54_A     50   75  105     31   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     T    55_A     T    55_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    56_A     H    56_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    57_A     V    57_A     50   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     P    58_A     P    58_A     50   75  105      3    9   33   72   84   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    59_A     H    59_A     50   75  105     24   57   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    60_A     L    60_A     50   75  105     26   57   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    61_A     K    61_A     50   75  105     26   57   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     M    62_A     M    62_A     50   75  105     23   54   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    63_A     K    63_A     50   75  105     24   50   66   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    64_A     C    64_A     50   75  105     24   49   66   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N    65_A     N    65_A     50   75  105     24   31   43   71   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F    66_A     F    66_A     50   75  105     24   31   57   74   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    67_A     C    67_A     50   75  105     24   35   63   74   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D    68_A     D    68_A     50   75  105     24   31   55   73   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Y    69_A     Y    69_A     50   75  105     24   50   66   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     M    70_A     M    70_A     50   75  105     24   50   66   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    71_A     C    71_A     50   75  105     24   54   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    72_A     K    72_A     50   75  105     24   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G    73_A     G    73_A     50   75  105     34   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    74_A     I    74_A     37   75  105     21   52   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R    75_A     R    75_A     37   75  105     24   38   65   72   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N    76_A     N    76_A     37   75  105     24   53   66   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    77_A     I    77_A     37   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R    78_A     R    78_A     37   75  105     24   52   67   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    79_A     L    79_A     37   75  105     24   52   67   75   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    80_A     H    80_A     37   75  105     24   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    81_A     H    81_A     37   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    82_A     K    82_A     37   75  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    83_A     K    83_A     37   75  105     24   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S    84_A     S    84_A     37   75  105     24   54   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    85_A     H    85_A     37   75  105     24   56   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     P    86_A     P    86_A     37   75  105     24   56   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D    87_A     D    87_A     37   75  105      9   30   53   75   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     E    88_A     E    88_A     37   75  105     24   31   57   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Q    89_A     Q    89_A     37   75  105      3    6   33   48   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    90_A     L    90_A     34   75  105      3    3    9   17   34   42   59   83   99  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     T    91_A     T    91_A      5   75  105      3   35   63   74   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G    92_A     G    92_A      5   75  105      3    5   28   65   82   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F    93_A     F    93_A      5   75  105      3    5   19   36   69   87   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G    94_A     G    94_A     12   75  105      4   15   26   48   66   74   85   89   96  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    95_A     I    95_A     12   75  105      4    5   23   48   66   79   85   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    96_A     K    96_A     16   75  105      4    8   23   36   55   73   85   89   99  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S    97_A     S    97_A     16   33  105      6   13   23   36   55   72   85   89   99  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    98_A     V    98_A     16   33  105      6   14   24   48   69   79   92   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    99_A     V    99_A     17   33  105      5   14   60   69   84   89   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R   100_A     R   100_A     17   33  105      5   14   43   61   75   84   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     T   101_A     T   101_A     17   33  105      5   15   30   61   71   84   92   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S   102_A     S   102_A     22   33  105      6   15   40   63   75   86   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   103_A     K   103_A     22   33  105      5   19   41   65   74   87   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   104_A     K   104_A     22   33  105      6   36   58   74   84   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G   105_A     G   105_A     22   33  105     14   58   69   76   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   106_A     K   106_A     22   33  105     21   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D   107_A     D   107_A     22   33  105     15   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L   108_A     L   108_A     22   33  105     15   54   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     A   109_A     A   109_A     22   33  105     34   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   110_A     K   110_A     22   33  105     34   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V   111_A     V   111_A     22   33  105     29   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     W   112_A     W   112_A     22   33  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D   113_A     D   113_A     22   33  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     E   114_A     E   114_A     22   33  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C   115_A     C   115_A     22   33  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F   116_A     F   116_A     22   33  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   117_A     K   117_A     22   33  105     24   57   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   118_A     K   118_A     22   33  105     29   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N   119_A     N   119_A     22   33  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R   120_A     R   120_A     22   33  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V   121_A     V   121_A     22   33  105     35   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L   122_A     L   122_A     22   33  105     34   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Q   123_A     Q   123_A     22   33  105     20   58   69   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H   124_A     H   124_A     22   33  105      3   35   67   77   85   90   94   97  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G   125_A     G   125_A      3   33  105      3    3    4    4   28   72   82   91  100  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S   126_A     S   126_A      3    4  105      3    3    4    4    4    5   19   52   55   62   86   92  100  105  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  64.95  (  35.11   59.74  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     35     58     69     77     85     90     94     97    100    104    104    104    104    105    105    105    105    105    105    105 
GDT PERCENT_AT  33.33  55.24  65.71  73.33  80.95  85.71  89.52  92.38  95.24  99.05  99.05  99.05  99.05 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.60   0.75   0.98   1.24   1.38   1.53   1.76   1.90   2.17   2.17   2.17   2.17   2.36   2.36   2.36   2.36   2.36   2.36   2.36
GDT RMS_ALL_AT   2.43   2.40   2.40   2.44   2.50   2.50   2.47   2.40   2.38   2.36   2.36   2.36   2.36   2.36   2.36   2.36   2.36   2.36   2.36   2.36

# 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     3.540     0    0.325   1.035     6.040   54.048   43.155
LGA    K    23_A      K    23_A     1.087     0    0.137   0.792     4.346   79.524   69.259
LGA    V    24_A      V    24_A     0.344     0    0.016   0.045     0.735   92.857   95.918
LGA    H    25_A      H    25_A     0.624     0    0.045   0.093     1.287   92.857   87.810
LGA    I    26_A      I    26_A     0.565     0    0.008   1.245     3.406   90.476   78.036
LGA    I    27_A      I    27_A     0.444     0    0.029   0.086     0.714   97.619   97.619
LGA    K    28_A      K    28_A     0.518     0    0.011   0.109     1.256   92.857   89.524
LGA    C    29_A      C    29_A     0.503     0    0.027   0.101     0.863   90.476   92.063
LGA    H    30_A      H    30_A     0.664     0    0.011   0.177     0.836   90.476   90.476
LGA    F    31_A      F    31_A     0.828     0    0.034   0.053     0.980   90.476   90.476
LGA    D    32_A      D    32_A     0.763     0    0.038   0.340     0.994   90.476   90.476
LGA    K    33_A      K    33_A     0.700     0    0.038   0.876     3.661   90.476   79.735
LGA    C    34_A      C    34_A     0.844     0    0.119   0.123     0.929   90.476   90.476
LGA    N    35_A      N    35_A     0.503     0    0.025   0.240     1.274   90.476   89.345
LGA    K    36_A      K    36_A     0.500     0    0.042   0.833     2.540   92.857   82.116
LGA    S    37_A      S    37_A     0.491     0    0.032   0.059     0.687   97.619   95.238
LGA    Y    38_A      Y    38_A     0.408     0    0.066   0.149     0.942  100.000   94.444
LGA    N    39_A      N    39_A     0.269     0    0.120   0.593     1.696   97.619   93.095
LGA    W    40_A      W    40_A     0.229     0    0.013   0.115     0.837   97.619   95.918
LGA    R    41_A      R    41_A     0.735     0    0.041   1.059     4.319   88.214   78.615
LGA    K    42_A      K    42_A     1.142     0    0.022   0.862     4.347   83.690   73.810
LGA    K    43_A      K    43_A     1.511     0    0.027   0.837     7.606   77.143   56.667
LGA    Y    44_A      Y    44_A     1.083     0    0.116   0.153     1.526   83.690   82.222
LGA    G    45_A      G    45_A     0.680     0    0.027   0.027     0.923   95.238   95.238
LGA    K    46_A      K    46_A     0.289     0    0.073   0.529     1.671  100.000   92.804
LGA    L    47_A      L    47_A     0.174     0    0.030   0.357     1.575  100.000   94.226
LGA    R    48_A      R    48_A     0.156     0    0.027   0.948     4.270  100.000   78.095
LGA    L    49_A      L    49_A     0.147     0    0.011   0.041     0.266  100.000  100.000
LGA    V    50_A      V    50_A     0.484     0    0.024   0.084     0.613   95.238   94.558
LGA    D    51_A      D    51_A     0.643     0    0.012   0.641     2.797   90.476   79.940
LGA    H    52_A      H    52_A     0.242     0    0.048   0.366     1.327  100.000   92.524
LGA    A    53_A      A    53_A     0.648     0    0.023   0.032     0.802   92.857   92.381
LGA    F    54_A      F    54_A     0.830     0    0.031   0.822     4.368   90.476   74.416
LGA    T    55_A      T    55_A     0.431     0    0.105   0.128     0.844  100.000   95.918
LGA    H    56_A      H    56_A     0.274     0    0.066   0.199     1.031  100.000   93.381
LGA    V    57_A      V    57_A     0.502     0    0.176   0.150     1.353   88.333   91.973
LGA    P    58_A      P    58_A     2.363     0    0.659   0.622     3.965   61.429   59.660
LGA    H    59_A      H    59_A     1.173     0    0.106   1.066     7.473   83.690   51.857
LGA    L    60_A      L    60_A     1.075     0    0.073   0.190     1.873   81.429   78.214
LGA    K    61_A      K    61_A     1.001     0    0.020   0.887     3.146   83.690   75.291
LGA    M    62_A      M    62_A     1.275     0    0.045   1.031     3.572   81.429   76.726
LGA    K    63_A      K    63_A     1.973     0    0.031   1.062     7.866   72.857   51.217
LGA    C    64_A      C    64_A     2.046     0    0.050   0.129     3.120   61.190   63.730
LGA    N    65_A      N    65_A     3.205     0    0.072   0.170     3.847   51.786   48.393
LGA    F    66_A      F    66_A     2.895     0    0.019   0.090     3.045   57.143   56.494
LGA    C    67_A      C    67_A     3.073     0    0.049   0.085     3.167   51.786   53.571
LGA    D    68_A      D    68_A     3.527     0    0.040   0.298     5.366   48.333   39.940
LGA    Y    69_A      Y    69_A     2.371     0    0.046   0.052     2.651   62.857   68.929
LGA    M    70_A      M    70_A     2.033     0    0.091   0.238     4.049   66.786   59.524
LGA    C    71_A      C    71_A     1.316     0    0.074   0.113     1.434   85.952   85.952
LGA    K    72_A      K    72_A     0.974     0    0.058   0.757     1.904   85.952   83.492
LGA    G    73_A      G    73_A     0.928     0    0.076   0.076     1.063   85.952   85.952
LGA    I    74_A      I    74_A     1.637     0    0.045   0.068     2.365   75.000   70.893
LGA    R    75_A      R    75_A     2.707     0    0.022   0.816     4.781   62.857   50.260
LGA    N    76_A      N    76_A     2.036     0    0.026   0.094     2.742   68.810   65.833
LGA    I    77_A      I    77_A     0.689     0    0.024   0.150     1.140   85.952   88.274
LGA    R    78_A      R    78_A     2.047     0    0.012   0.321     4.908   66.786   51.645
LGA    L    79_A      L    79_A     2.371     0    0.051   1.388     6.530   68.810   51.071
LGA    H    80_A      H    80_A     1.252     0    0.068   0.181     1.768   83.810   84.238
LGA    H    81_A      H    81_A     0.863     0    0.022   1.187     5.863   88.214   62.810
LGA    K    82_A      K    82_A     1.729     0    0.077   0.551     4.654   75.000   64.762
LGA    K    83_A      K    83_A     1.776     0    0.026   0.988     8.556   75.000   48.042
LGA    S    84_A      S    84_A     1.178     0    0.007   0.028     1.742   83.690   81.508
LGA    H    85_A      H    85_A     0.760     0    0.043   0.140     1.735   88.452   81.667
LGA    P    86_A      P    86_A     1.411     0    0.097   0.098     2.585   73.452   82.177
LGA    D    87_A      D    87_A     2.743     0    0.020   1.144     6.035   57.262   44.881
LGA    E    88_A      E    88_A     2.431     0    0.216   0.290     3.678   62.857   58.254
LGA    Q    89_A      Q    89_A     2.983     0    0.625   0.991     7.784   57.262   37.513
LGA    L    90_A      L    90_A     5.301     0    0.231   1.412    12.405   29.048   15.536
LGA    T    91_A      T    91_A     2.368     0    0.617   0.778     4.260   55.714   53.537
LGA    G    92_A      G    92_A     3.339     0    0.084   0.084     3.339   63.214   63.214
LGA    F    93_A      F    93_A     3.474     0    0.570   1.335     7.905   52.024   30.606
LGA    G    94_A      G    94_A     6.093     0    0.665   0.665     6.093   24.286   24.286
LGA    I    95_A      I    95_A     4.957     0    0.074   1.087     5.862   27.500   28.929
LGA    K    96_A      K    96_A     5.733     0    0.199   0.691     8.715   21.548   15.926
LGA    S    97_A      S    97_A     6.102     0    0.196   0.670     8.241   21.548   18.016
LGA    V    98_A      V    98_A     4.768     0    0.050   0.069     5.406   34.524   33.265
LGA    V    99_A      V    99_A     3.103     0    0.049   0.057     3.831   52.024   52.177
LGA    R   100_A      R   100_A     4.238     0    0.158   0.602     7.742   37.262   24.026
LGA    T   101_A      T   101_A     4.892     0    0.059   0.988     8.363   31.429   26.190
LGA    S   102_A      S   102_A     3.986     0    0.120   0.156     4.142   46.905   45.714
LGA    K   103_A      K   103_A     3.339     0    0.034   0.135     6.831   51.905   36.984
LGA    K   104_A      K   104_A     2.273     4    0.093   0.095     2.785   66.905   36.931
LGA    G   105_A      G   105_A     1.843     0    0.048   0.048     1.846   77.143   77.143
LGA    K   106_A      K   106_A     1.102     0    0.046   1.017     3.908   83.690   74.550
LGA    D   107_A      D   107_A     1.165     0    0.078   0.130     2.200   83.690   79.405
LGA    L   108_A      L   108_A     1.077     0    0.032   1.427     4.749   85.952   68.750
LGA    A   109_A      A   109_A     0.356     0    0.078   0.092     0.661   97.619   96.190
LGA    K   110_A      K   110_A     0.357     0    0.042   0.736     1.987   97.619   88.836
LGA    V   111_A      V   111_A     0.605     0    0.045   0.877     2.352   90.476   84.286
LGA    W   112_A      W   112_A     0.355     0    0.012   0.091     1.011   95.238   91.224
LGA    D   113_A      D   113_A     0.593     0    0.042   0.274     1.271   92.857   90.536
LGA    E   114_A      E   114_A     0.842     0    0.064   0.100     1.171   88.214   87.460
LGA    C   115_A      C   115_A     0.732     0    0.018   0.032     0.948   90.476   90.476
LGA    F   116_A      F   116_A     0.855     0    0.055   0.152     1.328   90.476   88.009
LGA    K   117_A      K   117_A     0.866     0    0.029   0.647     2.535   90.476   82.910
LGA    K   118_A      K   118_A     0.809     0    0.042   0.123     0.896   90.476   90.476
LGA    N   119_A      N   119_A     0.698     0    0.074   0.095     0.774   90.476   91.667
LGA    R   120_A      R   120_A     0.940     6    0.026   0.025     1.082   90.476   40.303
LGA    V   121_A      V   121_A     0.925     0    0.038   0.066     1.115   90.476   89.184
LGA    L   122_A      L   122_A     0.812     0    0.029   0.079     1.152   90.476   89.345
LGA    Q   123_A      Q   123_A     0.851     0    0.630   0.860     3.491   78.095   73.598
LGA    H   124_A      H   124_A     1.558     0    0.459   1.114     9.482   71.429   37.476
LGA    G   125_A      G   125_A     5.165     0    0.112   0.112     9.326   23.690   23.690
LGA    S   126_A      S   126_A    10.215     0    0.200   0.728    11.256    1.786    1.190

# 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):     2.356          2.337                  2.895           76.260   69.683

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0     97    1.76    80.238    78.472     5.221

LGA_LOCAL      RMSD:   1.758  Number of atoms:   97  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.397  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   2.356  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.466538 * X  +   0.095193 * Y  +  -0.879364 * Z  +   6.796558
  Y_new =   0.791771 * X  +  -0.398208 * Y  +  -0.463173 * Z  + -22.509598
  Z_new =  -0.394260 * X  +  -0.912342 * Y  +   0.110408 * Z  +  17.700865 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.103262  0.405263 -1.450366   [DEG:  120.5080   23.2199  -83.0998 ]
ZXZ: -1.086007  1.460162 -2.733689   [DEG:  -62.2236   83.6611 -156.6289 ]
 
# END of job
