
#######################################################
#                                                     #
#                        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  107 (  851),  selected  106 , name one
# Molecule2: number of CA atoms  106 (  830),  selected  106 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105       2_B - 106_B       4.96     5.05
  LONGEST_CONTINUOUS_SEGMENT:   105       3_B - 107_B       4.95     5.04
  LCS_AVERAGE:     99.06

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    80       2_B - 81_B        1.85     5.55
  LCS_AVERAGE:     59.99

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76       5_B - 80_B        0.91     5.48
  LCS_AVERAGE:     53.46

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  106
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     G     2_B     G     2_B      3   80  105      0    6    7   11   24   32   70   83   90   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     V     3_B     V     3_B      4   80  105      1    6   10   19   65   76   86   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     S     4_B     S     4_B      4   80  105      3    6   15   55   65   83   88   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     D     5_B     D     5_B     76   80  105      3   38   81   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     V     6_B     V     6_B     76   80  105     50   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     P     7_B     P     7_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     R     8_B     R     8_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     D     9_B     D     9_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     L    10_B     L    10_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     E    11_B     E    11_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     V    12_B     V    12_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     V    13_B     V    13_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     A    14_B     A    14_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     A    15_B     A    15_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     T    16_B     T    16_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     P    17_B     P    17_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     T    18_B     T    18_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     S    19_B     S    19_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     L    20_B     L    20_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     L    21_B     L    21_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     I    22_B     I    22_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     S    23_B     S    23_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     W    24_B     W    24_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     D    25_B     D    25_B     76   80  105     60   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     A    26_B     A    26_B     76   80  105     50   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     P    27_B     P    27_B     76   80  105     16   73   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     P    28_B     P    28_B     76   80  105      4   28   77   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     Y    29_B     Y    29_B     76   80  105      6   40   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     Y    30_B     Y    30_B     76   80  105      6   72   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     V    31_B     V    31_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     R    32_B     R    32_B     76   80  105     37   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     Y    33_B     Y    33_B     76   80  105     37   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     Y    34_B     Y    34_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     R    35_B     R    35_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     I    36_B     I    36_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     T    37_B     T    37_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     Y    38_B     Y    38_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     G    39_B     G    39_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     E    40_B     E    40_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     T    41_B     T    41_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     G    42_B     G    42_B     76   80  105     39   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     G    43_B     G    43_B     76   80  105      3   32   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     N    44_B     N    44_B     76   80  105      4   24   55   82   87   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     S    45_B     S    45_B     76   80  105      5   24   63   82   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     P    46_B     P    46_B     76   80  105      4   16   60   82   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     V    47_B     V    47_B     76   80  105     52   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     Q    48_B     Q    48_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     E    49_B     E    49_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     F    50_B     F    50_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     T    51_B     T    51_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     V    52_B     V    52_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     P    53_B     P    53_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     G    54_B     G    54_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     S    55_B     S    55_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     K    56_B     K    56_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     S    57_B     S    57_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     T    58_B     T    58_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     A    59_B     A    59_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     T    60_B     T    60_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     I    61_B     I    61_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     S    62_B     S    62_B     76   80  105     60   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     G    63_B     G    63_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     L    64_B     L    64_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     K    65_B     K    65_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     P    66_B     P    66_B     76   80  105     61   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     G    67_B     G    67_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     V    68_B     V    68_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     D    69_B     D    69_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     Y    70_B     Y    70_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     T    71_B     T    71_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     I    72_B     I    72_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     T    73_B     T    73_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     V    74_B     V    74_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     Y    75_B     Y    75_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     A    76_B     A    76_B     76   80  105     58   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     E    77_B     E    77_B     76   80  105     58   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     H    78_B     H    78_B     76   80  105     60   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     P    79_B     P    79_B     76   80  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     Y    80_B     Y    80_B     76   80  105      3   67   80   84   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     Y    81_B     Y    81_B      4   80  105      3    4    5    5    5    7   21   27   69   89   91   92   92   93   94   97   98  100  100  100 
LCS_GDT     D    82_B     D    82_B      4   78  105      3    4    5    5    5    7    9   11   15   18   40   83   90   93   93   95   95   97   98   99 
LCS_GDT     P    83_B     P    83_B      4    6  105      3    4    5    5    5    7    8   11   14   16   19   27   31   44   81   90   94   97   98   99 
LCS_GDT     S    84_B     S    84_B      4    6  105      3    4    5    5    5    7    9   11   15   16   19   24   30   36   46   60   71   89   95   97 
LCS_GDT     S    85_B     S    85_B      4    6  105      3    4    5    5    5    6    7    8   15   16   19   27   31   41   50   60   77   92   95   98 
LCS_GDT     S    86_B     S    86_B      4    6  105      3    4    5    5    6    7    8   16   21   24   27   33   40   52   71   84   91   93   96   99 
LCS_GDT     Y    87_B     Y    87_B      4    6  105      3    4    5    5    6    7    8   13   15   19   34   39   52   66   73   90   94   97   98   99 
LCS_GDT     Y    88_B     Y    88_B      4    6  105      3    4    4    6    7   14   20   23   62   78   88   92   92   93   93   97   98  100  100  100 
LCS_GDT     F    89_B     F    89_B      4   14  105      3    4    4    5    8   48   83   88   90   90   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     S    90_B     S    90_B     13   14  105     61   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     S    91_B     S    91_B     13   14  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     K    92_B     K    92_B     13   14  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     P    93_B     P    93_B     13   14  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     I    94_B     I    94_B     13   14  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     S    95_B     S    95_B     13   14  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     I    96_B     I    96_B     13   14  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     N    97_B     N    97_B     13   14  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     Y    98_B     Y    98_B     13   14  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     R    99_B     R    99_B     13   14  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     T   100_B     T   100_B     13   14  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     P   101_B     P   101_B     13   14  105     62   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     H   102_B     H   102_B     13   14  105     58   79   82   85   88   89   89   90   91   92   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     H   103_B     H   103_B      3   14  105      3    4    4   31   42   65   81   87   89   91   92   93   93   94   94   98   98  100  100  100 
LCS_GDT     H   104_B     H   104_B      3    4  105      3    3    3    4    8    9   10   14   19   55   58   93   93   93   94   98   98  100  100  100 
LCS_GDT     H   105_B     H   105_B      3    4  105      3    3    6    6    8   10   14   19   22   26   41   57   91   93   94   98   98  100  100  100 
LCS_GDT     H   106_B     H   106_B      3    4  105      3    3    3    5    9   13   17   41   47   50   55   88   91   93   94   98   98  100  100  100 
LCS_GDT     H   107_B     H   107_B      3    4  105      3    3    3    5   22   29   35   68   75   87   87   89   91   93   94   98   98  100  100  100 
LCS_AVERAGE  LCS_A:  70.83  (  53.46   59.99   99.06 )

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     62     79     82     85     88     89     89     90     91     92     92     93     93     94     94     98     98    100    100    100 
GDT PERCENT_AT  58.49  74.53  77.36  80.19  83.02  83.96  83.96  84.91  85.85  86.79  86.79  87.74  87.74  88.68  88.68  92.45  92.45  94.34  94.34  94.34
GDT RMS_LOCAL    0.28   0.42   0.53   0.65   0.81   0.86   0.86   1.03   1.20   1.45   1.38   1.53   1.53   1.73   1.73   2.76   2.76   3.12   3.12   3.12
GDT RMS_ALL_AT   5.47   5.45   5.47   5.49   5.48   5.48   5.48   5.51   5.55   5.61   5.56   5.51   5.51   5.57   5.57   5.58   5.58   5.42   5.42   5.42

# Checking swapping
#   possible swapping detected:  D     5_B      D     5_B
#   possible swapping detected:  E    11_B      E    11_B
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  E    40_B      E    40_B
#   possible swapping detected:  F    50_B      F    50_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  Y    81_B      Y    81_B
#   possible swapping detected:  F    89_B      F    89_B
#   possible swapping detected:  Y    98_B      Y    98_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     2_B      G     2_B     8.496     0    0.434   0.434     8.744    8.690    8.690
LGA    V     3_B      V     3_B     6.109     0    0.605   1.186     7.445   28.929   23.878
LGA    S     4_B      S     4_B     5.300     0    0.228   0.868     6.285   37.619   31.508
LGA    D     5_B      D     5_B     2.046     0    0.152   1.044     4.267   57.381   48.810
LGA    V     6_B      V     6_B     0.658     0    0.096   0.189     1.167   95.238   91.905
LGA    P     7_B      P     7_B     0.486     0    0.051   0.227     0.875   97.619   94.558
LGA    R     8_B      R     8_B     0.317     0    0.045   1.237     7.590  100.000   67.186
LGA    D     9_B      D     9_B     0.350     0    0.038   0.353     1.284  100.000   94.167
LGA    L    10_B      L    10_B     0.238     0    0.016   0.099     0.520  100.000   98.810
LGA    E    11_B      E    11_B     0.093     0    0.045   0.611     2.184  100.000   87.037
LGA    V    12_B      V    12_B     0.091     0    0.024   0.110     0.426  100.000  100.000
LGA    V    13_B      V    13_B     0.071     0    0.039   1.109     2.434  100.000   89.932
LGA    A    14_B      A    14_B     0.144     0    0.049   0.056     0.294  100.000  100.000
LGA    A    15_B      A    15_B     0.180     0    0.014   0.032     0.198  100.000  100.000
LGA    T    16_B      T    16_B     0.212     0    0.080   0.182     0.680   97.619   97.279
LGA    P    17_B      P    17_B     0.369     0    0.051   0.077     0.633  100.000   97.279
LGA    T    18_B      T    18_B     0.272     0    0.171   0.191     0.944   97.619   95.918
LGA    S    19_B      S    19_B     0.121     0    0.051   0.660     1.761  100.000   93.889
LGA    L    20_B      L    20_B     0.127     0    0.084   0.178     0.508  100.000   98.810
LGA    L    21_B      L    21_B     0.391     0    0.021   0.112     1.073  100.000   94.167
LGA    I    22_B      I    22_B     0.341     0    0.051   0.144     0.671   97.619   98.810
LGA    S    23_B      S    23_B     0.193     0    0.036   0.583     1.987  100.000   95.476
LGA    W    24_B      W    24_B     0.184     0    0.045   0.102     0.609  100.000   97.959
LGA    D    25_B      D    25_B     0.652     0    0.033   0.105     1.006   90.476   89.345
LGA    A    26_B      A    26_B     0.809     0    0.113   0.141     1.257   85.952   86.857
LGA    P    27_B      P    27_B     1.444     0    0.045   0.428     2.056   75.119   76.599
LGA    P    28_B      P    28_B     2.557     0    0.681   0.777     5.221   49.524   52.857
LGA    Y    29_B      Y    29_B     2.305     0    0.115   1.386    10.139   66.786   38.373
LGA    Y    30_B      Y    30_B     1.752     0    0.073   1.059     7.273   72.976   50.040
LGA    V    31_B      V    31_B     0.597     0    0.092   0.115     1.263   92.857   91.905
LGA    R    32_B      R    32_B     1.121     0    0.074   1.186     6.140   83.690   55.325
LGA    Y    33_B      Y    33_B     0.917     0    0.101   1.370     7.615   90.476   61.230
LGA    Y    34_B      Y    34_B     0.778     0    0.080   0.097     1.101   88.214   90.516
LGA    R    35_B      R    35_B     0.578     0    0.049   0.945     4.134   95.238   78.398
LGA    I    36_B      I    36_B     0.586     0    0.038   0.337     1.044   95.238   91.726
LGA    T    37_B      T    37_B     0.160     0    0.027   0.112     0.442  100.000  100.000
LGA    Y    38_B      Y    38_B     0.185     0    0.011   0.170     0.969  100.000   96.032
LGA    G    39_B      G    39_B     0.244     0    0.036   0.036     0.334  100.000  100.000
LGA    E    40_B      E    40_B     0.150     0    0.030   0.518     2.018  100.000   87.989
LGA    T    41_B      T    41_B     0.227     0    0.075   0.085     0.594   97.619   97.279
LGA    G    42_B      G    42_B     1.052     0    0.209   0.209     1.422   88.333   88.333
LGA    G    43_B      G    43_B     1.881     0    0.306   0.306     2.320   77.381   77.381
LGA    N    44_B      N    44_B     2.779     3    0.482   0.480     4.844   65.476   36.667
LGA    S    45_B      S    45_B     2.344     0    0.114   0.551     3.261   70.952   66.429
LGA    P    46_B      P    46_B     2.629     0    0.067   0.256     4.629   65.000   54.966
LGA    V    47_B      V    47_B     0.774     0    0.042   0.153     2.239   85.952   81.633
LGA    Q    48_B      Q    48_B     0.147     0    0.030   0.164     1.629   97.619   90.741
LGA    E    49_B      E    49_B     0.515     0    0.070   0.548     1.553   97.619   88.677
LGA    F    50_B      F    50_B     0.330     0    0.031   0.165     1.415  100.000   92.338
LGA    T    51_B      T    51_B     0.514     0    0.034   1.132     2.427   92.857   84.490
LGA    V    52_B      V    52_B     0.780     0    0.074   1.325     3.437   90.476   81.020
LGA    P    53_B      P    53_B     0.555     0    0.064   0.251     0.804   90.476   90.476
LGA    G    54_B      G    54_B     0.402     0    0.062   0.062     0.420  100.000  100.000
LGA    S    55_B      S    55_B     0.398     0    0.066   0.060     0.716   95.238   93.651
LGA    K    56_B      K    56_B     0.561     0    0.045   0.919     3.955   90.476   81.640
LGA    S    57_B      S    57_B     0.254     0    0.111   0.672     1.956   95.238   92.302
LGA    T    58_B      T    58_B     0.356     0    0.039   0.082     0.639  100.000   98.639
LGA    A    59_B      A    59_B     0.168     0    0.036   0.050     0.340  100.000  100.000
LGA    T    60_B      T    60_B     0.158     0    0.042   0.874     2.067  100.000   91.088
LGA    I    61_B      I    61_B     0.254     0    0.080   0.090     0.597  100.000   97.619
LGA    S    62_B      S    62_B     0.469     0    0.056   0.058     1.061  100.000   95.317
LGA    G    63_B      G    63_B     0.217     0    0.068   0.068     0.408  100.000  100.000
LGA    L    64_B      L    64_B     0.148     0    0.040   0.085     0.320  100.000  100.000
LGA    K    65_B      K    65_B     0.480     2    0.047   0.567     1.929   95.238   71.587
LGA    P    66_B      P    66_B     0.707     0    0.070   0.162     1.219   90.476   89.184
LGA    G    67_B      G    67_B     0.327     0    0.061   0.061     0.525   97.619   97.619
LGA    V    68_B      V    68_B     0.277     0    0.044   0.120     0.633  100.000   98.639
LGA    D    69_B      D    69_B     0.338     0    0.045   0.562     1.466  100.000   92.976
LGA    Y    70_B      Y    70_B     0.184     0    0.028   0.052     0.292  100.000  100.000
LGA    T    71_B      T    71_B     0.253     0    0.017   0.107     0.494  100.000  100.000
LGA    I    72_B      I    72_B     0.426     0    0.011   0.328     1.241  100.000   96.488
LGA    T    73_B      T    73_B     0.293     0    0.053   1.108     2.256  100.000   88.571
LGA    V    74_B      V    74_B     0.259     0    0.040   0.095     0.381  100.000  100.000
LGA    Y    75_B      Y    75_B     0.271     0    0.029   0.141     0.865  100.000   96.825
LGA    A    76_B      A    76_B     0.747     0    0.021   0.043     0.862   90.476   90.476
LGA    E    77_B      E    77_B     0.859     0    0.095   0.802     4.334   90.476   76.349
LGA    H    78_B      H    78_B     0.648     0    0.153   1.073     3.043   90.476   79.524
LGA    P    79_B      P    79_B     0.622     0    0.580   0.592     4.247   72.738   70.748
LGA    Y    80_B      Y    80_B     2.107     0    0.358   1.134     5.314   50.952   59.841
LGA    Y    81_B      Y    81_B     8.988     0    0.572   0.930    20.010    5.000    1.667
LGA    D    82_B      D    82_B    13.844     0    0.093   0.127    17.452    0.000    0.000
LGA    P    83_B      P    83_B    17.173     0    0.687   0.568    18.806    0.000    0.000
LGA    S    84_B      S    84_B    21.470     0    0.609   0.820    23.738    0.000    0.000
LGA    S    85_B      S    85_B    21.550     0    0.125   0.757    21.550    0.000    0.000
LGA    S    86_B      S    86_B    21.199     0    0.223   0.210    22.715    0.000    0.000
LGA    Y    87_B      Y    87_B    17.188     0    0.126   1.193    19.828    0.000    0.000
LGA    Y    88_B      Y    88_B    11.385     0    0.080   1.388    14.120    0.714    0.238
LGA    F    89_B      F    89_B     6.376     0    0.132   1.285    14.036   21.310    8.831
LGA    S    90_B      S    90_B     0.914     0    0.311   0.648     2.533   82.143   79.127
LGA    S    91_B      S    91_B     0.311     0    0.039   0.573     2.453  100.000   94.127
LGA    K    92_B      K    92_B     0.108     0    0.031   0.510     1.347  100.000   95.820
LGA    P    93_B      P    93_B     0.146     0    0.045   0.160     0.701  100.000   97.279
LGA    I    94_B      I    94_B     0.141     0    0.022   0.503     1.733  100.000   95.417
LGA    S    95_B      S    95_B     0.564     0    0.020   0.569     1.330   97.619   92.222
LGA    I    96_B      I    96_B     0.303     0    0.041   1.150     3.254  100.000   85.833
LGA    N    97_B      N    97_B     0.250     0    0.017   0.111     0.498  100.000  100.000
LGA    Y    98_B      Y    98_B     0.371     0    0.041   0.070     0.717  100.000   93.651
LGA    R    99_B      R    99_B     0.337     3    0.038   0.639     2.490  100.000   63.853
LGA    T   100_B      T   100_B     0.387     0    0.068   0.158     0.721  100.000   98.639
LGA    P   101_B      P   101_B     0.528     0    0.051   0.414     1.041   92.857   90.544
LGA    H   102_B      H   102_B     0.554     0    0.393   0.740     8.915   80.000   43.619
LGA    H   103_B      H   103_B     6.966     0    0.617   1.340     9.398   14.167    9.619
LGA    H   104_B      H   104_B    10.767     5    0.604   0.603    11.539    0.714    0.286
LGA    H   105_B      H   105_B    11.840     0    0.615   1.573    16.485    0.000    0.000
LGA    H   106_B      H   106_B    12.982     0    0.168   0.754    18.526    0.000    0.000
LGA    H   107_B      H   107_B    11.691     0    0.092   0.914    15.262    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      106     424    424  100.00     830    830  100.00               106
SUMMARY(RMSD_GDC):     5.040          4.960                  5.563           79.043   73.524

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  106    4.0     90    1.03    83.019    77.654     7.997

LGA_LOCAL      RMSD:   1.025  Number of atoms:   90  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.513  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   5.040  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.393230 * X  +  -0.383288 * Y  +   0.835739 * Z  + -84.662895
  Y_new =   0.377082 * X  +   0.761775 * Y  +   0.526791 * Z  +  29.608521
  Z_new =  -0.838558 * X  +   0.522292 * Y  +  -0.155022 * Z  + 119.760979 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.377155  0.994630  1.859324   [DEG:  136.2009   56.9881  106.5314 ]
ZXZ:  2.133219  1.726446 -1.013747   [DEG:  122.2244   98.9181  -58.0834 ]
 
# END of job
