
#######################################################
#                                                     #
#                        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  124 ( 1034),  selected  104 , name one
# Molecule2: number of CA atoms  104 (  843),  selected  104 , 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:    92      17_A - 108_A       4.95     7.65
  LCS_AVERAGE:     81.50

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    46      17_A - 62_A        1.89    10.09
  LCS_AVERAGE:     36.58

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      60_A - 92_A        0.93    11.74
  LCS_AVERAGE:     23.13

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  104
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     K    17_A     K    17_A     16   46   92      7   13   33   41   42   44   48   53   60   61   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     E    18_A     E    18_A     16   46   92      7   25   34   41   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     E    19_A     E    19_A     16   46   92      7   17   34   41   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     M    20_A     M    20_A     20   46   92      7   21   34   41   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     N    21_A     N    21_A     20   46   92      7   21   34   41   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     K    22_A     K    22_A     20   46   92      7   22   34   41   42   47   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     V    23_A     V    23_A     28   46   92      7   22   34   41   42   44   48   54   59   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     H    24_A     H    24_A     28   46   92      8   22   34   41   42   44   48   54   59   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     N    25_A     N    25_A     28   46   92      8   22   34   41   42   44   48   53   57   62   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     I    26_A     I    26_A     28   46   92      8   22   34   41   42   44   48   53   58   62   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     K    27_A     K    27_A     28   46   92      6   21   34   41   42   44   48   53   55   61   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     C    28_A     C    28_A     28   46   92      6   21   34   41   42   44   48   53   55   61   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     H    29_A     H    29_A     28   46   92      3   16   33   41   42   44   48   52   54   59   64   68   75   79   85   88   92   93   94   94 
LCS_GDT     F    30_A     F    30_A     28   46   92      4   21   34   41   42   44   48   52   55   60   66   73   76   82   85   88   92   93   94   94 
LCS_GDT     D    31_A     D    31_A     28   46   92      4   17   34   41   42   44   48   52   54   58   62   68   75   77   82   88   92   93   94   94 
LCS_GDT     N    32_A     N    32_A     28   46   92      4   16   33   41   42   44   48   52   54   58   61   65   68   73   80   86   92   93   94   94 
LCS_GDT     C    33_A     C    33_A     28   46   92      4   17   34   41   42   44   48   52   55   59   64   69   76   82   85   88   92   93   94   94 
LCS_GDT     N    34_A     N    34_A     28   46   92      3   21   34   41   42   44   48   53   55   61   66   73   77   82   85   88   92   93   94   94 
LCS_GDT     R    35_A     R    35_A     28   46   92      4   21   34   41   42   44   48   53   55   61   66   73   78   82   85   88   92   93   94   94 
LCS_GDT     K    36_A     K    36_A     28   46   92      4   21   34   41   42   44   48   53   55   61   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     I    37_A     I    37_A     28   46   92      4   22   34   41   42   44   48   53   58   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     H    38_A     H    38_A     28   46   92      8   22   34   41   42   44   48   53   58   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     W    39_A     W    39_A     28   46   92      7   22   34   41   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     K    40_A     K    40_A     28   46   92      4   14   34   41   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     I    41_A     I    41_A     28   46   92      4   20   33   41   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     R    42_A     R    42_A     28   46   92      5   22   34   41   42   48   53   56   60   63   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     Y    43_A     Y    43_A     28   46   92      6   22   34   41   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     G    44_A     G    44_A     28   46   92      7   22   34   41   42   44   50   55   60   63   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     K    45_A     K    45_A     28   46   92      8   22   34   41   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     L    46_A     L    46_A     28   46   92      6   18   34   41   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     R    47_A     R    47_A     28   46   92     10   22   34   41   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     L    48_A     L    48_A     28   46   92     10   22   34   41   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     V    49_A     V    49_A     28   46   92     10   22   34   41   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     D    50_A     D    50_A     28   46   92     10   22   34   41   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     H    51_A     H    51_A     28   46   92     10   22   34   41   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     A    52_A     A    52_A     23   46   92     10   22   34   41   42   47   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     L    53_A     L    53_A     23   46   92     10   22   34   41   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     S    54_A     S    54_A     23   46   92     10   22   34   41   42   47   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     H    55_A     H    55_A     23   46   92     10   22   34   41   42   44   50   55   59   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     Q    56_A     Q    56_A     23   46   92     10   22   34   40   42   47   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     E    57_A     E    57_A     23   46   92      7   22   29   39   42   47   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     E    58_A     E    58_A     23   46   92      6   13   29   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     K    59_A     K    59_A      4   46   92      3    4    5    6   28   39   48   55   60   64   67   71   78   82   85   88   92   93   94   94 
LCS_GDT     S    60_A     S    60_A     33   46   92      6   24   34   39   42   47   52   55   60   63   66   70   75   79   85   88   92   93   94   94 
LCS_GDT     I    61_A     I    61_A     33   46   92     16   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     D    62_A     D    62_A     33   46   92     16   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     C    63_A     C    63_A     33   39   92     16   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     Q    64_A     Q    64_A     33   39   92      6   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     K    65_A     K    65_A     33   39   92     16   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     C    66_A     C    66_A     33   39   92      7   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     E    67_A     E    67_A     33   39   92      3   21   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     Y    68_A     Y    68_A     33   39   92     16   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     S    69_A     S    69_A     33   39   92     16   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     C    70_A     C    70_A     33   39   92      8   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     Q    71_A     Q    71_A     33   39   92     16   27   34   41   42   48   53   56   60   64   67   71   78   82   85   88   92   93   94   94 
LCS_GDT     T    72_A     T    72_A     33   39   92     16   27   34   41   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     T    73_A     T    73_A     33   39   92     16   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     R    74_A     R    74_A     33   39   92     16   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     Q    75_A     Q    75_A     33   39   92     16   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     M    76_A     M    76_A     33   39   92     16   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     R    77_A     R    77_A     33   39   92     16   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     Y    78_A     Y    78_A     33   39   92     16   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     H    79_A     H    79_A     33   39   92     16   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     Y    80_A     Y    80_A     33   39   92      9   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     K    81_A     K    81_A     33   39   92      9   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     K    82_A     K    82_A     33   39   92     16   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     I    83_A     I    83_A     33   39   92     16   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     H    84_A     H    84_A     33   39   92     16   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     A    85_A     A    85_A     33   39   92     16   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     N    86_A     N    86_A     33   39   92     16   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     L    87_A     L    87_A     33   39   92      8   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     K    88_A     K    88_A     33   39   92      4   25   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     M    89_A     M    89_A     33   39   92      3   24   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     E    90_A     E    90_A     33   39   92      3    5   32   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     G    91_A     G    91_A     33   39   92      0    9   23   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     F    92_A     F    92_A     33   39   92      3   27   34   39   42   48   53   56   60   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     G    93_A     G    93_A      5   39   92      3    3    5   10   10   18   35   44   51   57   61   68   74   79   85   88   92   93   94   94 
LCS_GDT     I    94_A     I    94_A      5   39   92      3    4    7   17   31   41   44   51   56   61   66   70   76   80   85   88   92   93   94   94 
LCS_GDT     L    95_A     L    95_A      5   39   92      3    4   21   35   42   47   52   55   60   64   66   71   78   82   85   88   92   93   94   94 
LCS_GDT     N    96_A     N    96_A      4   39   92      4    4    5    6   40   45   52   56   59   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     I    97_A     I    97_A      4   39   92      4    4    6    7    9   14   14   21   37   64   66   71   78   82   85   88   92   93   94   94 
LCS_GDT     P    98_A     P    98_A      5   16   92      4    5    6    7   10   14   19   45   54   64   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     L    99_A     L    99_A      5   18   92      4    5    6    7   11   14   15   27   43   56   63   73   78   82   85   88   92   93   94   94 
LCS_GDT     Q   100_A     Q   100_A     14   21   92      4   11   14   15   17   19   20   20   25   38   63   73   78   82   85   88   92   93   94   94 
LCS_GDT     N   101_A     N   101_A     16   21   92      9   13   14   16   18   21   30   45   54   60   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     T   102_A     T   102_A     16   21   92     12   13   14   16   18   19   20   31   36   46   63   69   76   82   84   88   92   93   94   94 
LCS_GDT     K   103_A     K   103_A     16   21   92     12   13   14   16   18   19   20   20   21   28   42   50   55   57   72   82   84   88   93   94 
LCS_GDT     F   104_A     F   104_A     16   21   92     12   13   14   16   18   19   20   31   36   47   61   73   78   82   85   88   92   93   94   94 
LCS_GDT     S   105_A     S   105_A     16   21   92     12   13   14   16   25   37   46   53   55   61   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     D   106_A     D   106_A     16   21   92     12   13   14   16   18   19   20   20   43   48   56   58   65   69   75   84   92   93   94   94 
LCS_GDT     V   107_A     V   107_A     16   21   92     12   13   14   16   18   19   20   20   26   33   51   57   65   69   75   86   92   93   94   94 
LCS_GDT     W   108_A     W   108_A     16   21   92     12   13   14   21   32   43   48   53   55   61   67   73   78   82   85   88   92   93   94   94 
LCS_GDT     N   109_A     N   109_A     16   21   76     12   13   14   16   18   19   33   45   50   55   59   63   65   69   75   80   92   93   94   94 
LCS_GDT     K   110_A     K   110_A     16   21   25     12   13   14   16   18   19   20   20   21   27   35   39   46   52   58   61   65   76   78   86 
LCS_GDT     C   111_A     C   111_A     16   21   25     12   13   14   16   18   19   20   24   28   32   50   55   55   63   67   80   92   93   94   94 
LCS_GDT     F   112_A     F   112_A     16   21   25     12   13   14   16   18   19   20   40   47   48   54   55   57   63   65   69   83   92   94   94 
LCS_GDT     G   113_A     G   113_A     16   21   25     12   13   14   16   18   19   35   40   47   48   54   55   57   60   64   66   70   74   80   85 
LCS_GDT     D   114_A     D   114_A     16   21   25      4    8   14   16   18   19   20   20   21   21   22   25   26   27   29   32   45   60   62   63 
LCS_GDT     Q   115_A     Q   115_A     16   21   25      6   13   14   16   18   19   20   20   21   21   22   25   26   27   39   42   45   46   59   63 
LCS_GDT     L   116_A     L   116_A     16   21   25      4    8   14   16   18   19   20   20   21   21   23   26   41   51   54   58   59   64   71   79 
LCS_GDT     K   117_A     K   117_A     12   21   25      4    7   12   16   18   19   20   20   21   21   22   25   26   26   28   30   30   40   42   43 
LCS_GDT     T   118_A     T   118_A      7   21   25      3    3   11   16   18   19   20   20   21   21   22   25   26   26   28   30   30   32   33   36 
LCS_GDT     I   119_A     I   119_A      3   21   25      3    3    3    4   10   19   20   20   21   21   22   25   26   26   28   30   30   32   33   36 
LCS_GDT     G   120_A     G   120_A      3   21   25      3    3    3    4    4    4   11   18   21   21   22   25   26   26   28   30   30   31   33   36 
LCS_AVERAGE  LCS_A:  47.07  (  23.13   36.58   81.50 )

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     16     27     34     41     42     48     53     56     60     64     67     73     78     82     85     88     92     93     94     94 
GDT PERCENT_AT  15.38  25.96  32.69  39.42  40.38  46.15  50.96  53.85  57.69  61.54  64.42  70.19  75.00  78.85  81.73  84.62  88.46  89.42  90.38  90.38
GDT RMS_LOCAL    0.31   0.55   0.88   1.19   1.22   1.76   2.25   2.34   2.55   2.96   3.20   3.76   3.97   4.24   4.40   4.61   4.99   5.04   5.15   5.11
GDT RMS_ALL_AT  11.88  11.63  11.88  10.62  10.64  10.44   9.27   9.43   9.59   8.98   8.68   7.97   8.06   7.84   7.85   7.72   7.57   7.58   7.55   7.59

# Checking swapping
#   possible swapping detected:  F    30_A      F    30_A
#   possible swapping detected:  E    90_A      E    90_A
#   possible swapping detected:  F   104_A      F   104_A
#   possible swapping detected:  D   106_A      D   106_A
#   possible swapping detected:  F   112_A      F   112_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    17_A      K    17_A     5.469     4    0.040   0.046     6.435   33.571   16.825
LGA    E    18_A      E    18_A     1.790     4    0.044   0.048     3.136   73.690   41.799
LGA    E    19_A      E    19_A     2.825     4    0.134   0.137     4.435   62.857   32.063
LGA    M    20_A      M    20_A     2.715     0    0.060   0.317     5.132   62.976   48.036
LGA    N    21_A      N    21_A     2.373     0    0.014   0.923     3.927   59.524   54.821
LGA    K    22_A      K    22_A     3.579     0    0.072   1.127     6.114   52.143   38.624
LGA    V    23_A      V    23_A     5.990     0    0.064   0.076     7.273   17.500   15.238
LGA    H    24_A      H    24_A     6.709     0    0.106   0.852     8.028   16.310   15.476
LGA    N    25_A      N    25_A     8.956     0    0.010   1.116    12.858    2.262    1.131
LGA    I    26_A      I    26_A     7.994     0    0.025   0.625     8.432    6.548    9.524
LGA    K    27_A      K    27_A    10.681     0    0.017   0.456    17.432    0.357    0.159
LGA    C    28_A      C    28_A    10.520     0    0.195   0.669    13.891    0.000    0.317
LGA    H    29_A      H    29_A    14.229     0    0.275   1.163    19.301    0.000    0.000
LGA    F    30_A      F    30_A    13.528     0    0.067   1.171    15.482    0.000    0.000
LGA    D    31_A      D    31_A    16.818     0    0.043   0.134    18.739    0.000    0.000
LGA    N    32_A      N    32_A    18.080     0    0.102   0.312    19.904    0.000    0.000
LGA    C    33_A      C    33_A    14.821     0    0.462   0.782    17.756    0.000    0.000
LGA    N    34_A      N    34_A    13.749     0    0.033   1.260    14.774    0.000    0.000
LGA    R    35_A      R    35_A    11.894     0    0.109   1.465    14.071    0.000    0.000
LGA    K    36_A      K    36_A    10.503     0    0.028   0.795    18.483    0.357    0.159
LGA    I    37_A      I    37_A     7.116     0    0.074   0.591     8.047    9.524   17.917
LGA    H    38_A      H    38_A     7.377     0    0.229   1.091    13.233   15.714    6.619
LGA    W    39_A      W    39_A     3.240     0    0.107   1.172     6.640   45.476   48.265
LGA    K    40_A      K    40_A     1.671     0    0.036   0.169     6.213   77.143   55.979
LGA    I    41_A      I    41_A     1.917     0    0.021   0.705     3.708   69.048   62.321
LGA    R    42_A      R    42_A     3.446     0    0.146   0.982    13.833   45.476   22.857
LGA    Y    43_A      Y    43_A     2.774     0    0.659   0.947     4.851   59.048   52.421
LGA    G    44_A      G    44_A     4.585     0    0.128   0.128     4.585   43.929   43.929
LGA    K    45_A      K    45_A     2.876     0    0.028   0.755     4.253   59.167   49.841
LGA    L    46_A      L    46_A     2.187     0    0.084   1.370     4.845   73.095   65.893
LGA    R    47_A      R    47_A     0.844     0    0.059   1.474     8.328   83.810   60.043
LGA    L    48_A      L    48_A     2.406     0    0.038   0.286     4.794   67.024   54.583
LGA    V    49_A      V    49_A     2.486     0    0.019   0.044     4.069   68.810   58.912
LGA    D    50_A      D    50_A     0.596     0    0.018   0.218     3.388   83.810   73.452
LGA    H    51_A      H    51_A     2.973     0    0.023   1.217     4.049   54.286   51.095
LGA    A    52_A      A    52_A     3.968     0    0.019   0.033     4.340   45.119   43.524
LGA    L    53_A      L    53_A     1.813     0    0.057   1.401     4.387   64.881   61.786
LGA    S    54_A      S    54_A     3.732     0    0.014   0.019     5.336   39.524   37.778
LGA    H    55_A      H    55_A     5.882     0    0.010   1.039     8.354   21.905   13.762
LGA    Q    56_A      Q    56_A     4.355     0    0.042   1.046     4.588   40.476   44.286
LGA    E    57_A      E    57_A     4.250     4    0.067   0.073     5.127   45.357   23.069
LGA    E    58_A      E    58_A     1.018     4    0.670   0.604     2.342   75.119   40.582
LGA    K    59_A      K    59_A     4.348     0    0.258   0.505    10.122   34.762   19.153
LGA    S    60_A      S    60_A     4.636     0    0.653   0.577     6.488   42.024   33.730
LGA    I    61_A      I    61_A     2.202     0    0.094   0.685     3.112   62.857   69.345
LGA    D    62_A      D    62_A     2.485     0    0.048   0.218     4.033   66.786   56.786
LGA    C    63_A      C    63_A     1.501     0    0.121   0.732     3.682   68.929   65.317
LGA    Q    64_A      Q    64_A     2.417     0    0.054   0.846     3.581   64.881   61.799
LGA    K    65_A      K    65_A     0.946     0    0.095   0.280     4.101   85.952   73.228
LGA    C    66_A      C    66_A     1.267     0    0.713   0.644     3.843   72.024   75.159
LGA    E    67_A      E    67_A     1.413     4    0.181   0.180     1.899   79.286   44.286
LGA    Y    68_A      Y    68_A     1.659     0    0.074   1.140     9.793   70.952   43.532
LGA    S    69_A      S    69_A     2.682     0    0.074   0.680     3.517   59.048   58.730
LGA    C    70_A      C    70_A     2.672     0    0.093   0.693     3.138   57.143   57.222
LGA    Q    71_A      Q    71_A     3.123     0    0.104   0.339     4.108   50.119   48.624
LGA    T    72_A      T    72_A     2.522     0    0.027   0.050     2.883   62.976   61.565
LGA    T    73_A      T    73_A     1.880     0    0.021   0.148     2.319   72.976   69.456
LGA    R    74_A      R    74_A     1.604     0    0.044   1.435     6.497   77.143   61.255
LGA    Q    75_A      Q    75_A     1.724     0    0.019   0.247     3.952   77.143   64.603
LGA    M    76_A      M    76_A     0.893     0    0.028   1.031     2.992   90.595   79.940
LGA    R    77_A      R    77_A     0.419     0    0.021   1.155     4.900   92.857   75.931
LGA    Y    78_A      Y    78_A     1.094     0    0.006   1.210     8.267   83.690   54.087
LGA    H    79_A      H    79_A     0.844     0    0.010   1.208     6.400   92.857   61.286
LGA    Y    80_A      Y    80_A     0.721     0    0.029   0.434     2.350   88.333   78.135
LGA    K    81_A      K    81_A     1.664     0    0.027   1.070     3.857   72.976   62.063
LGA    K    82_A      K    82_A     1.673     0    0.054   0.887     5.715   75.000   57.831
LGA    I    83_A      I    83_A     1.341     0    0.046   0.049     1.377   81.429   81.429
LGA    H    84_A      H    84_A     1.365     0    0.008   0.145     1.675   77.143   79.714
LGA    A    85_A      A    85_A     2.199     0    0.019   0.024     2.671   64.881   64.857
LGA    N    86_A      N    86_A     2.512     3    0.062   0.063     2.637   60.952   37.619
LGA    L    87_A      L    87_A     2.277     0    0.046   1.078     4.404   64.762   57.857
LGA    K    88_A      K    88_A     2.270     0    0.098   0.624     6.068   68.810   56.402
LGA    M    89_A      M    89_A     1.170     0    0.286   0.402     1.552   79.286   81.488
LGA    E    90_A      E    90_A     1.371     0    0.664   0.574     4.351   66.190   64.868
LGA    G    91_A      G    91_A     2.285     0    0.560   0.560     2.541   69.048   69.048
LGA    F    92_A      F    92_A     1.914     0    0.514   1.139     7.394   68.929   48.874
LGA    G    93_A      G    93_A     6.461     0    0.092   0.092     6.461   25.476   25.476
LGA    I    94_A      I    94_A     5.705     0    0.179   1.553    10.327   26.786   20.060
LGA    L    95_A      L    95_A     4.106     0    0.146   0.266     7.287   42.143   31.012
LGA    N    96_A      N    96_A     3.959     0    0.436   1.449     8.645   38.810   25.179
LGA    I    97_A      I    97_A     5.783     0    0.021   0.629     7.945   25.119   17.619
LGA    P    98_A      P    98_A     6.061     0    0.235   0.427     7.831   12.857   13.061
LGA    L    99_A      L    99_A     8.972     0    0.094   0.112    10.630    2.857    1.548
LGA    Q   100_A      Q   100_A     8.379     0    0.464   1.016     9.862    4.762    5.556
LGA    N   101_A      N   101_A     8.205     0    0.251   0.744    11.120    3.690    2.500
LGA    T   102_A      T   102_A    12.758     0    0.019   0.057    16.369    0.000    0.000
LGA    K   103_A      K   103_A    14.744     0    0.015   0.812    19.253    0.000    0.000
LGA    F   104_A      F   104_A    10.426     0    0.029   1.582    11.616    0.000    0.433
LGA    S   105_A      S   105_A    10.939     0    0.037   0.049    13.111    0.000    0.000
LGA    D   106_A      D   106_A    15.854     0    0.045   1.292    19.924    0.000    0.000
LGA    V   107_A      V   107_A    14.395     0    0.015   0.967    15.800    0.000    0.000
LGA    W   108_A      W   108_A    10.959     0    0.071   1.279    13.363    0.000    9.864
LGA    N   109_A      N   109_A    16.099     0    0.052   0.686    19.560    0.000    0.000
LGA    K   110_A      K   110_A    18.506     0    0.019   1.223    25.649    0.000    0.000
LGA    C   111_A      C   111_A    14.696     0    0.023   0.791    15.735    0.000    0.000
LGA    F   112_A      F   112_A    15.316     0    0.198   0.240    17.352    0.000    0.043
LGA    G   113_A      G   113_A    18.713     0    0.343   0.343    20.400    0.000    0.000
LGA    D   114_A      D   114_A    24.476     3    0.113   0.115    26.638    0.000    0.000
LGA    Q   115_A      Q   115_A    21.138     0    0.148   0.909    21.512    0.000    0.000
LGA    L   116_A      L   116_A    18.200     0    0.416   1.172    19.978    0.000    0.000
LGA    K   117_A      K   117_A    24.034     0    0.144   0.758    28.730    0.000    0.000
LGA    T   118_A      T   118_A    24.957     0    0.344   1.042    25.893    0.000    0.000
LGA    I   119_A      I   119_A    21.353     0    0.050   0.162    22.954    0.000    0.000
LGA    G   120_A      G   120_A    24.380     0    0.081   0.081    24.380    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      104     416    416  100.00     843    843  100.00               104
SUMMARY(RMSD_GDC):     7.361          7.368                  7.537           40.010   33.564

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0     56    2.34    50.962    48.116     2.293

LGA_LOCAL      RMSD:   2.343  Number of atoms:   56  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   9.426  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:   7.361  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.685055 * X  +   0.568387 * Y  +   0.455672 * Z  +  -5.332377
  Y_new =  -0.537874 * X  +   0.027217 * Y  +  -0.842586 * Z  +  30.358706
  Z_new =  -0.491317 * X  +  -0.822311 * Y  +   0.287075 * Z  +  50.777885 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.475970  0.513601 -1.234917   [DEG: -141.8626   29.4272  -70.7555 ]
ZXZ:  0.495754  1.279624 -2.603026   [DEG:   28.4046   73.3171 -149.1424 ]
 
# END of job
