
#######################################################
#                                                     #
#                        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       1.65     1.65
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105      22_A - 126_A       1.65     1.65
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    69      22_A - 90_A        0.97     1.74
  LONGEST_CONTINUOUS_SEGMENT:    69      23_A - 91_A        0.99     1.71
  LCS_AVERAGE:     49.06

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  105  105      3   10   41   74   94   98  100  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    23_A     K    23_A     69  105  105     36   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    24_A     V    24_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    25_A     H    25_A     69  105  105     45   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    26_A     I    26_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    27_A     I    27_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    28_A     K    28_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    29_A     C    29_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    30_A     H    30_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F    31_A     F    31_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D    32_A     D    32_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    33_A     K    33_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    34_A     C    34_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N    35_A     N    35_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    36_A     K    36_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S    37_A     S    37_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Y    38_A     Y    38_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N    39_A     N    39_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     W    40_A     W    40_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R    41_A     R    41_A     69  105  105     46   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    42_A     K    42_A     69  105  105     36   75   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    43_A     K    43_A     69  105  105     36   73   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Y    44_A     Y    44_A     69  105  105     36   74   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G    45_A     G    45_A     69  105  105     46   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    46_A     K    46_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    47_A     L    47_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R    48_A     R    48_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    49_A     L    49_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    50_A     V    50_A     69  105  105     46   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D    51_A     D    51_A     69  105  105     46   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    52_A     H    52_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     A    53_A     A    53_A     69  105  105     36   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F    54_A     F    54_A     69  105  105     23   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     T    55_A     T    55_A     69  105  105     38   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    56_A     H    56_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    57_A     V    57_A     69  105  105     45   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     P    58_A     P    58_A     69  105  105      7   23   81   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    59_A     H    59_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    60_A     L    60_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    61_A     K    61_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     M    62_A     M    62_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    63_A     K    63_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    64_A     C    64_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N    65_A     N    65_A     69  105  105     50   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F    66_A     F    66_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    67_A     C    67_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D    68_A     D    68_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Y    69_A     Y    69_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     M    70_A     M    70_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    71_A     C    71_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    72_A     K    72_A     69  105  105     45   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G    73_A     G    73_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    74_A     I    74_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R    75_A     R    75_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N    76_A     N    76_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    77_A     I    77_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R    78_A     R    78_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    79_A     L    79_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    80_A     H    80_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    81_A     H    81_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    82_A     K    82_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    83_A     K    83_A     69  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S    84_A     S    84_A     69  105  105     45   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    85_A     H    85_A     69  105  105     41   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     P    86_A     P    86_A     69  105  105     16   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D    87_A     D    87_A     69  105  105      9   52   85   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     E    88_A     E    88_A     69  105  105     43   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Q    89_A     Q    89_A     69  105  105      3    5   36   85   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    90_A     L    90_A     69  105  105      3    3    4    4    6   31  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     T    91_A     T    91_A     69  105  105      3   13   28   56   91   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G    92_A     G    92_A      4  105  105      3    4   27   51   74   90  100  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F    93_A     F    93_A      9  105  105      5   48   75   94   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G    94_A     G    94_A      9  105  105      5   47   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    95_A     I    95_A      9  105  105     15   61   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    96_A     K    96_A      9  105  105     19   65   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S    97_A     S    97_A      9  105  105     35   61   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    98_A     V    98_A      9  105  105     35   63   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    99_A     V    99_A      9  105  105     14   65   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R   100_A     R   100_A      9  105  105     35   64   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     T   101_A     T   101_A      9  105  105      4   41   79   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S   102_A     S   102_A      4  105  105      3    4   34   51   75   97  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   103_A     K   103_A     22  105  105      3   39   80   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   104_A     K   104_A     22  105  105      7   11   63   87   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G   105_A     G   105_A     22  105  105     10   42   78   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   106_A     K   106_A     22  105  105     10   56   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D   107_A     D   107_A     22  105  105     10   56   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L   108_A     L   108_A     22  105  105     14   66   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     A   109_A     A   109_A     22  105  105     38   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   110_A     K   110_A     22  105  105     45   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V   111_A     V   111_A     22  105  105     45   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     W   112_A     W   112_A     22  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D   113_A     D   113_A     22  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     E   114_A     E   114_A     22  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C   115_A     C   115_A     22  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F   116_A     F   116_A     22  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   117_A     K   117_A     22  105  105     30   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   118_A     K   118_A     22  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N   119_A     N   119_A     22  105  105     52   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R   120_A     R   120_A     22  105  105     50   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V   121_A     V   121_A     22  105  105     38   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L   122_A     L   122_A     22  105  105     38   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Q   123_A     Q   123_A     22  105  105     26   76   88   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H   124_A     H   124_A     22  105  105      3   47   85   95   97   98  101  103  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G   125_A     G   125_A      3  105  105      3    3    4    4   21   43   84  101  104  104  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S   126_A     S   126_A      3  105  105      3    3    4    4    4    5    7    8    8   15   89  101  101  105  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  83.02  (  49.06  100.00  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     52     76     88     95     97     98    101    103    104    104    104    104    104    105    105    105    105    105    105    105 
GDT PERCENT_AT  49.52  72.38  83.81  90.48  92.38  93.33  96.19  98.10  99.05  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    0.31   0.52   0.74   0.91   0.96   1.01   1.20   1.32   1.40   1.40   1.40   1.40   1.40   1.65   1.65   1.65   1.65   1.65   1.65   1.65
GDT RMS_ALL_AT   1.76   1.71   1.68   1.67   1.67   1.67   1.66   1.66   1.66   1.66   1.66   1.66   1.66   1.65   1.65   1.65   1.65   1.65   1.65   1.65

# Checking swapping
#   possible swapping detected:  F    31_A      F    31_A
#   possible swapping detected:  D    32_A      D    32_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  F    54_A      F    54_A
#   possible swapping detected:  D    68_A      D    68_A
#   possible swapping detected:  Y    69_A      Y    69_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    22_A      N    22_A     3.615     0    0.333   1.068     6.161   54.048   43.929
LGA    K    23_A      K    23_A     0.872     0    0.140   0.806     3.839   86.071   76.508
LGA    V    24_A      V    24_A     0.354     0    0.034   0.054     0.727  100.000   97.279
LGA    H    25_A      H    25_A     0.449     0    0.053   0.077     0.880   97.619   93.333
LGA    I    26_A      I    26_A     0.423     0    0.012   1.261     3.160  100.000   83.036
LGA    I    27_A      I    27_A     0.424     0    0.032   0.081     0.575  100.000   97.619
LGA    K    28_A      K    28_A     0.475     0    0.008   0.112     0.984  100.000   94.709
LGA    C    29_A      C    29_A     0.457     0    0.026   0.089     0.774   95.238   95.238
LGA    H    30_A      H    30_A     0.647     0    0.008   0.150     0.875   90.476   94.286
LGA    F    31_A      F    31_A     0.805     0    0.036   0.079     0.844   90.476   90.476
LGA    D    32_A      D    32_A     0.866     0    0.033   0.298     1.180   90.476   90.536
LGA    K    33_A      K    33_A     0.864     0    0.047   0.882     4.076   90.476   77.302
LGA    C    34_A      C    34_A     0.922     0    0.118   0.126     0.961   90.476   90.476
LGA    N    35_A      N    35_A     0.873     0    0.025   0.113     1.500   90.476   85.952
LGA    K    36_A      K    36_A     0.585     0    0.042   0.826     2.746   90.476   79.259
LGA    S    37_A      S    37_A     0.549     0    0.030   0.068     0.799   90.476   90.476
LGA    Y    38_A      Y    38_A     0.416     0    0.069   0.140     1.136  100.000   92.937
LGA    N    39_A      N    39_A     0.255     0    0.118   0.339     1.759  100.000   95.417
LGA    W    40_A      W    40_A     0.426     0    0.014   0.112     0.755   97.619   97.279
LGA    R    41_A      R    41_A     0.728     0    0.039   1.076     4.839   90.476   75.801
LGA    K    42_A      K    42_A     1.063     0    0.022   0.899     4.819   83.690   73.175
LGA    K    43_A      K    43_A     1.533     0    0.033   0.827     7.797   77.143   54.709
LGA    Y    44_A      Y    44_A     1.176     0    0.118   0.183     1.704   81.429   80.000
LGA    G    45_A      G    45_A     0.681     0    0.030   0.030     0.951   92.857   92.857
LGA    K    46_A      K    46_A     0.113     0    0.061   0.533     1.626  100.000   92.804
LGA    L    47_A      L    47_A     0.048     0    0.024   0.102     0.846  100.000   96.429
LGA    R    48_A      R    48_A     0.109     0    0.019   1.104     4.125  100.000   81.472
LGA    L    49_A      L    49_A     0.203     0    0.012   0.049     0.262  100.000  100.000
LGA    V    50_A      V    50_A     0.409     0    0.024   0.048     0.511   97.619   98.639
LGA    D    51_A      D    51_A     0.528     0    0.012   0.582     2.444   95.238   86.310
LGA    H    52_A      H    52_A     0.056     0    0.042   0.310     1.312  100.000   93.429
LGA    A    53_A      A    53_A     0.675     0    0.017   0.025     0.822   92.857   92.381
LGA    F    54_A      F    54_A     0.910     0    0.026   0.803     3.504   90.476   70.346
LGA    T    55_A      T    55_A     0.517     0    0.049   0.081     0.868   97.619   94.558
LGA    H    56_A      H    56_A     0.241     0    0.068   0.166     1.082  100.000   94.333
LGA    V    57_A      V    57_A     0.432     0    0.149   0.138     1.075   92.976   94.626
LGA    P    58_A      P    58_A     2.162     0    0.651   0.622     4.060   59.881   62.041
LGA    H    59_A      H    59_A     0.989     0    0.105   1.124     7.388   90.476   55.429
LGA    L    60_A      L    60_A     0.857     0    0.132   0.139     1.423   88.214   85.952
LGA    K    61_A      K    61_A     0.541     0    0.024   0.886     1.627   97.619   88.730
LGA    M    62_A      M    62_A     0.581     0    0.032   0.830     3.256   95.238   87.798
LGA    K    63_A      K    63_A     0.532     0    0.044   1.089     7.220   92.857   68.042
LGA    C    64_A      C    64_A     0.796     0    0.061   0.140     1.158   88.214   87.460
LGA    N    65_A      N    65_A     1.043     0    0.076   0.201     1.742   88.214   82.679
LGA    F    66_A      F    66_A     0.770     0    0.019   0.078     1.014   90.476   88.831
LGA    C    67_A      C    67_A     0.788     0    0.051   0.091     1.076   90.476   88.968
LGA    D    68_A      D    68_A     0.838     0    0.032   0.253     2.023   90.476   85.000
LGA    Y    69_A      Y    69_A     0.583     0    0.052   0.053     0.790   90.476   96.825
LGA    M    70_A      M    70_A     0.485     0    0.088   0.240     1.214   95.238   92.917
LGA    C    71_A      C    71_A     0.487     0    0.076   0.117     0.739   95.238   96.825
LGA    K    72_A      K    72_A     0.370     0    0.022   0.706     1.687  100.000   89.788
LGA    G    73_A      G    73_A     0.495     0    0.067   0.067     0.495  100.000  100.000
LGA    I    74_A      I    74_A     0.034     0    0.067   0.101     0.496  100.000  100.000
LGA    R    75_A      R    75_A     0.321     0    0.015   1.083     3.544  100.000   79.567
LGA    N    76_A      N    76_A     0.232     0    0.039   0.125     0.485  100.000  100.000
LGA    I    77_A      I    77_A     0.155     0    0.036   0.062     0.307  100.000  100.000
LGA    R    78_A      R    78_A     0.382     0    0.016   0.352     1.313   97.619   93.117
LGA    L    79_A      L    79_A     0.323     0    0.033   1.393     3.405  100.000   83.988
LGA    H    80_A      H    80_A     0.295     0    0.081   0.172     0.793   97.619   96.190
LGA    H    81_A      H    81_A     0.228     0    0.037   1.320     5.596  100.000   71.190
LGA    K    82_A      K    82_A     0.361     0    0.092   0.544     1.700   97.619   93.810
LGA    K    83_A      K    83_A     0.138     0    0.036   0.401     2.382  100.000   92.011
LGA    S    84_A      S    84_A     0.576     0    0.017   0.048     0.787   92.857   92.063
LGA    H    85_A      H    85_A     0.815     0    0.019   0.130     0.993   90.476   90.476
LGA    P    86_A      P    86_A     1.110     0    0.101   0.108     1.917   79.405   84.150
LGA    D    87_A      D    87_A     1.952     0    0.019   1.234     5.787   72.857   55.774
LGA    E    88_A      E    88_A     0.849     0    0.202   0.366     2.559   85.952   84.815
LGA    Q    89_A      Q    89_A     2.790     0    0.608   0.990     8.583   54.048   34.444
LGA    L    90_A      L    90_A     4.047     0    0.147   1.390    10.989   45.357   25.357
LGA    T    91_A      T    91_A     3.604     0    0.014   0.832     6.723   51.905   37.755
LGA    G    92_A      G    92_A     4.449     0    0.671   0.671     5.028   36.190   36.190
LGA    F    93_A      F    93_A     2.246     0    0.503   1.267     4.985   75.238   52.857
LGA    G    94_A      G    94_A     1.642     0    0.016   0.016     1.887   72.857   72.857
LGA    I    95_A      I    95_A     1.331     0    0.108   1.101     3.582   81.429   79.048
LGA    K    96_A      K    96_A     1.367     0    0.268   0.703     4.174   75.119   68.095
LGA    S    97_A      S    97_A     1.736     0    0.181   0.242     2.139   75.000   72.937
LGA    V    98_A      V    98_A     1.543     0    0.035   0.038     2.008   77.143   74.150
LGA    V    99_A      V    99_A     1.368     0    0.057   0.064     1.957   81.429   77.755
LGA    R   100_A      R   100_A     1.569     0    0.025   0.840     4.230   75.000   63.939
LGA    T   101_A      T   101_A     2.319     0    0.630   0.925     6.377   61.429   51.905
LGA    S   102_A      S   102_A     3.788     0    0.649   0.810     7.212   53.690   40.317
LGA    K   103_A      K   103_A     2.013     0    0.157   0.772     8.456   65.119   43.862
LGA    K   104_A      K   104_A     2.829     4    0.352   0.356     3.881   63.214   32.910
LGA    G   105_A      G   105_A     1.993     0    0.020   0.020     2.329   70.833   70.833
LGA    K   106_A      K   106_A     1.806     0    0.046   0.992     2.427   75.000   74.868
LGA    D   107_A      D   107_A     1.502     0    0.075   0.114     2.393   79.405   73.095
LGA    L   108_A      L   108_A     1.204     0    0.030   1.413     4.656   85.952   67.976
LGA    A   109_A      A   109_A     0.724     0    0.065   0.073     1.057   90.476   88.667
LGA    K   110_A      K   110_A     0.403     0    0.043   0.741     2.840  100.000   84.656
LGA    V   111_A      V   111_A     0.243     0    0.039   0.863     2.372  100.000   91.088
LGA    W   112_A      W   112_A     0.286     0    0.012   0.067     1.031   95.238   91.871
LGA    D   113_A      D   113_A     0.744     0    0.086   0.935     3.028   90.476   82.083
LGA    E   114_A      E   114_A     0.789     0    0.069   0.635     2.577   88.214   80.847
LGA    C   115_A      C   115_A     0.542     0    0.030   0.040     0.693   92.857   92.063
LGA    F   116_A      F   116_A     0.754     0    0.048   0.092     1.092   90.476   88.009
LGA    K   117_A      K   117_A     0.755     0    0.025   0.649     2.463   90.476   79.048
LGA    K   118_A      K   118_A     0.517     0    0.029   0.109     0.634   90.476   95.767
LGA    N   119_A      N   119_A     0.588     0    0.069   0.102     0.634   90.476   91.667
LGA    R   120_A      R   120_A     0.791     6    0.031   0.031     0.885   90.476   41.126
LGA    V   121_A      V   121_A     0.817     0    0.031   0.043     1.008   90.476   89.184
LGA    L   122_A      L   122_A     0.755     0    0.035   0.081     1.039   90.476   89.345
LGA    Q   123_A      Q   123_A     0.943     0    0.605   0.881     3.402   78.095   74.444
LGA    H   124_A      H   124_A     1.712     0    0.433   1.257     9.093   71.429   36.714
LGA    G   125_A      G   125_A     4.941     0    0.143   0.143     8.643   26.190   26.190
LGA    S   126_A      S   126_A     9.387     0    0.198   0.722    10.372    3.810    2.540

# 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):     1.653          1.651                  2.248           86.093   78.941

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0    103    1.32    90.238    94.528     7.272

LGA_LOCAL      RMSD:   1.316  Number of atoms:  103  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.665  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   1.653  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.069233 * X  +  -0.201108 * Y  +   0.977119 * Z  +   4.872806
  Y_new =  -0.635453 * X  +  -0.746162 * Y  +  -0.198598 * Z  + -24.706724
  Z_new =   0.769029 * X  +  -0.634663 * Y  +  -0.076136 * Z  +  12.723961 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.679318 -0.877321 -1.690189   [DEG:  -96.2178  -50.2668  -96.8407 ]
ZXZ:  1.370280  1.647006  2.260762   [DEG:   78.5112   94.3665  129.5321 ]
 
# END of job
