
#######################################################
#                                                     #
#                        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:    70      20_A - 89_A        4.74    20.10
  LCS_AVERAGE:     53.35

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34      52_A - 85_A        1.94    21.18
  LCS_AVERAGE:     19.57

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      57_A - 85_A        0.92    22.39
  LCS_AVERAGE:     13.28

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      3    3   15      3    3    5    5    6    7    8    9   10   12   14   17   18   25   30   35   37   45   50   58 
LCS_GDT     E    18_A     E    18_A      4    4   15      3    4    4    4    4    4    8    9    9   10   11   13   19   20   22   33   37   39   52   60 
LCS_GDT     E    19_A     E    19_A      4    4   69      3    4    4    4    4    6    8   10   11   11   12   17   19   40   44   52   55   60   60   62 
LCS_GDT     M    20_A     M    20_A      7    9   70      3    6    7    7    8    9   11   11   11   34   41   47   53   57   59   60   62   65   65   66 
LCS_GDT     N    21_A     N    21_A      7    9   70      4    6    7    7    8   24   30   36   45   52   56   58   60   63   64   64   65   66   67   67 
LCS_GDT     K    22_A     K    22_A      7    9   70      4    6    7    7   11   25   35   46   51   56   59   62   62   63   64   65   66   66   67   67 
LCS_GDT     V    23_A     V    23_A      7   15   70      4    6   11   19   34   39   49   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     H    24_A     H    24_A      7   17   70      4    5    7   14   33   39   47   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     N    25_A     N    25_A      7   18   70      3   13   24   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     I    26_A     I    26_A      7   18   70      7   16   24   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     K    27_A     K    27_A      7   18   70      8   17   24   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     C    28_A     C    28_A      7   18   70      9   17   24   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     H    29_A     H    29_A      7   18   70      6   17   24   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     F    30_A     F    30_A      8   18   70      9   17   24   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     D    31_A     D    31_A      8   18   70      3    4   24   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     N    32_A     N    32_A      8   18   70      3    3   15   28   37   45   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     C    33_A     C    33_A      8   18   70      5   17   24   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     N    34_A     N    34_A      8   18   70      6   15   20   28   39   45   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     R    35_A     R    35_A      8   18   70      6   17   24   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     K    36_A     K    36_A      8   18   70      9   17   24   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     I    37_A     I    37_A      8   18   70      5   17   24   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     H    38_A     H    38_A      7   18   70      4   10   16   29   39   45   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     W    39_A     W    39_A      7   18   70      3   10   24   31   39   45   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     K    40_A     K    40_A      7   18   70      3    5   11   15   29   35   44   48   53   58   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     I    41_A     I    41_A      5   18   70      3    6   10   13   18   44   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     R    42_A     R    42_A      5   20   70      3    9   20   26   35   40   49   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     Y    43_A     Y    43_A      5   20   70      3    4    5    6   13   22   30   38   43   48   55   59   63   63   64   65   66   66   66   67 
LCS_GDT     G    44_A     G    44_A     14   20   70      3    9   14   20   25   32   37   43   47   54   58   62   63   64   64   65   66   66   67   67 
LCS_GDT     K    45_A     K    45_A     14   20   70      4   12   17   21   29   36   43   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     L    46_A     L    46_A     14   20   70      4   12   18   28   31   39   48   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     R    47_A     R    47_A     14   23   70      6   12   20   28   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     L    48_A     L    48_A     14   23   70      6   12   21   28   39   45   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     V    49_A     V    49_A     14   23   70      6   12   20   28   39   45   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     D    50_A     D    50_A     14   23   70      6   15   21   29   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     H    51_A     H    51_A     14   23   70      9   17   24   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     A    52_A     A    52_A     14   34   70      9   17   24   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     L    53_A     L    53_A     14   34   70      9   17   23   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     S    54_A     S    54_A     14   34   70      9   17   24   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     H    55_A     H    55_A     14   34   70      9   17   24   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     Q    56_A     Q    56_A     14   34   70      9   17   23   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     E    57_A     E    57_A     29   34   70      3    8   18   28   36   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     E    58_A     E    58_A     29   34   70     10   27   28   28   31   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     K    59_A     K    59_A     29   34   70     13   27   28   28   34   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     S    60_A     S    60_A     29   34   70      5   27   28   28   34   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     I    61_A     I    61_A     29   34   70     15   27   28   28   36   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     D    62_A     D    62_A     29   34   70     15   27   28   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     C    63_A     C    63_A     29   34   70     15   27   28   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     Q    64_A     Q    64_A     29   34   70     15   27   28   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     K    65_A     K    65_A     29   34   70     12   27   28   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     C    66_A     C    66_A     29   34   70     12   27   28   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     E    67_A     E    67_A     29   34   70      7   27   28   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     Y    68_A     Y    68_A     29   34   70      5   27   28   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     S    69_A     S    69_A     29   34   70     15   27   28   28   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     C    70_A     C    70_A     29   34   70     15   27   28   28   35   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     Q    71_A     Q    71_A     29   34   70     15   27   28   28   34   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     T    72_A     T    72_A     29   34   70     15   27   28   28   31   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     T    73_A     T    73_A     29   34   70     15   27   28   28   29   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     R    74_A     R    74_A     29   34   70     15   27   28   28   29   35   51   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     Q    75_A     Q    75_A     29   34   70     15   27   28   28   35   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     M    76_A     M    76_A     29   34   70     15   27   28   28   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     R    77_A     R    77_A     29   34   70     15   27   28   28   31   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     Y    78_A     Y    78_A     29   34   70     12   27   28   28   36   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     H    79_A     H    79_A     29   34   70     15   27   28   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     Y    80_A     Y    80_A     29   34   70     15   27   28   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     K    81_A     K    81_A     29   34   70     15   27   28   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     K    82_A     K    82_A     29   34   70     15   27   28   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     I    83_A     I    83_A     29   34   70     12   27   28   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     H    84_A     H    84_A     29   34   70      8   27   28   28   36   45   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     A    85_A     A    85_A     29   34   70      4   26   28   31   39   46   54   55   60   60   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     N    86_A     N    86_A      4   32   70      3    3   14   18   29   35   43   49   56   59   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     L    87_A     L    87_A      5   31   70      3    4    9   11   18   28   38   46   54   58   61   63   63   64   64   65   66   66   67   67 
LCS_GDT     K    88_A     K    88_A      5    7   70      3    4    5    5    9   14   22   30   39   45   51   55   60   63   64   65   65   66   67   67 
LCS_GDT     M    89_A     M    89_A      5    7   70      3    4    5    5    8    8    9   12   13   17   18   25   31   46   52   56   62   65   65   66 
LCS_GDT     E    90_A     E    90_A      5    7   69      3    4    5    5    7    8    9   11   13   15   17   19   22   25   25   39   47   51   57   59 
LCS_GDT     G    91_A     G    91_A      5    7   18      3    4    5    5    7    7    9   10   11   12   15   17   19   21   23   24   25   27   30   33 
LCS_GDT     F    92_A     F    92_A      3    7   24      3    3    4    5    7    7    8    9   11   12   12   15   20   22   23   25   25   27   30   33 
LCS_GDT     G    93_A     G    93_A      3    6   24      3    3    3    5    5    7    9   10   12   14   16   19   20   23   23   25   25   27   30   33 
LCS_GDT     I    94_A     I    94_A      3    5   24      3    3    3    4    6    7   11   13   16   18   19   20   21   23   23   25   25   27   30   33 
LCS_GDT     L    95_A     L    95_A      3    5   24      3    3    3    4    5    7    9   13   14   18   19   20   21   23   23   25   25   27   30   33 
LCS_GDT     N    96_A     N    96_A      3    5   24      3    3    4    4    5    6    8   10   14   15   19   20   21   23   23   25   25   27   30   33 
LCS_GDT     I    97_A     I    97_A      3    5   24      3    3    4    4   10   14   15   15   17   18   19   20   21   23   23   25   25   28   32   37 
LCS_GDT     P    98_A     P    98_A      4    5   24      3    3    4    4   12   14   15   15   17   18   19   20   21   23   23   25   28   31   34   37 
LCS_GDT     L    99_A     L    99_A      4    6   24      3    3    4    4    7    9   13   14   16   16   18   20   21   23   23   25   28   31   34   37 
LCS_GDT     Q   100_A     Q   100_A      4   13   24      3    3    4    4    6   12   15   15   17   17   19   20   21   23   23   25   28   31   34   35 
LCS_GDT     N   101_A     N   101_A     12   14   24     10   12   12   12   12   14   15   15   17   18   19   20   21   23   23   25   28   31   34   35 
LCS_GDT     T   102_A     T   102_A     12   14   24     10   12   12   12   12   14   15   15   17   18   19   20   21   23   23   25   28   31   34   35 
LCS_GDT     K   103_A     K   103_A     12   14   24     10   12   12   12   12   14   15   15   17   18   19   20   21   23   23   25   28   31   34   35 
LCS_GDT     F   104_A     F   104_A     12   14   24     10   12   12   12   12   14   15   15   17   18   19   20   21   23   24   26   28   32   34   37 
LCS_GDT     S   105_A     S   105_A     12   14   24     10   12   12   12   12   14   15   15   17   18   19   20   21   23   23   25   28   31   34   37 
LCS_GDT     D   106_A     D   106_A     12   14   24     10   12   12   12   12   14   15   15   17   18   19   20   21   23   23   25   28   32   34   37 
LCS_GDT     V   107_A     V   107_A     12   14   24     10   12   12   12   12   14   15   15   17   18   19   20   21   23   24   26   29   32   33   37 
LCS_GDT     W   108_A     W   108_A     12   14   24     10   12   12   12   12   14   15   15   17   18   19   20   21   23   24   26   29   32   33   37 
LCS_GDT     N   109_A     N   109_A     12   14   24      6   12   12   12   12   14   15   15   17   18   19   20   21   23   24   26   29   32   33   37 
LCS_GDT     K   110_A     K   110_A     12   14   24     10   12   12   12   12   14   15   15   17   18   19   20   21   23   24   26   29   32   33   37 
LCS_GDT     C   111_A     C   111_A     12   14   24     10   12   12   12   12   14   15   15   17   18   19   20   21   23   24   26   29   32   33   37 
LCS_GDT     F   112_A     F   112_A     12   14   24      4   12   12   12   12   14   15   15   17   18   19   20   21   23   24   26   29   32   33   37 
LCS_GDT     G   113_A     G   113_A      4   14   24      3    4    4    5   12   13   14   14   17   18   19   20   21   23   24   26   29   32   33   37 
LCS_GDT     D   114_A     D   114_A      4   14   24      3    3    5    9   12   13   14   15   17   18   19   20   21   23   24   26   29   32   33   37 
LCS_GDT     Q   115_A     Q   115_A      4    5   24      3    3    4    4    6    9   11   14   16   16   18   19   20   23   24   26   29   32   33   37 
LCS_GDT     L   116_A     L   116_A      4    5   24      3    3    4    4    6    9   11   14   16   16   18   18   20   21   24   26   29   32   34   38 
LCS_GDT     K   117_A     K   117_A      4    5   21      3    3    4    4    5    7   10   11   13   15   18   18   20   21   24   26   29   33   38   42 
LCS_GDT     T   118_A     T   118_A      3    5   21      3    3    3    3    4    6    8   11   13   14   17   18   20   23   26   32   37   40   45   47 
LCS_GDT     I   119_A     I   119_A      3    3   21      3    3    3    3    3    6    6    6    7   10   17   17   20   21   24   26   29   36   39   43 
LCS_GDT     G   120_A     G   120_A      3    3   21      0    3    3    3    3    3    5    5    7    7    8    8   11   17   24   26   29   32   34   37 
LCS_AVERAGE  LCS_A:  28.73  (  13.28   19.57   53.35 )

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     15     27     28     31     39     46     54     55     60     60     61     63     63     64     64     65     66     66     67     67 
GDT PERCENT_AT  14.42  25.96  26.92  29.81  37.50  44.23  51.92  52.88  57.69  57.69  58.65  60.58  60.58  61.54  61.54  62.50  63.46  63.46  64.42  64.42
GDT RMS_LOCAL    0.37   0.54   0.58   1.29   1.59   2.11   2.25   2.30   2.63   2.63   2.71   3.01   3.01   3.14   3.19   3.31   3.47   3.47   3.85   3.75
GDT RMS_ALL_AT  22.73  22.61  22.61  20.99  21.03  20.71  20.80  20.82  20.78  20.78  20.85  20.69  20.69  20.74  20.55  20.60  20.70  20.70  20.31  20.59

# Checking swapping
#   possible swapping detected:  Y    78_A      Y    78_A
#   possible swapping detected:  Y    80_A      Y    80_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  D   106_A      D   106_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    17_A      K    17_A    29.603     4    0.643   0.616    31.815    0.000    0.000
LGA    E    18_A      E    18_A    25.062     4    0.572   0.591    26.711    0.000    0.000
LGA    E    19_A      E    19_A    24.355     4    0.190   0.189    26.202    0.000    0.000
LGA    M    20_A      M    20_A    19.422     0    0.669   0.995    21.450    0.000    0.000
LGA    N    21_A      N    21_A    14.609     0    0.522   0.532    16.205    0.000    0.000
LGA    K    22_A      K    22_A    10.164     0    0.137   0.404    12.509    0.714    0.370
LGA    V    23_A      V    23_A     5.694     0    0.067   0.093     6.615   21.786   26.803
LGA    H    24_A      H    24_A     5.494     0    0.019   0.092    13.884   30.595   12.952
LGA    N    25_A      N    25_A     2.001     0    0.600   0.977     8.532   70.833   45.238
LGA    I    26_A      I    26_A     1.684     0    0.073   0.142     3.434   79.405   69.286
LGA    K    27_A      K    27_A     1.235     0    0.166   0.630     1.595   83.690   84.497
LGA    C    28_A      C    28_A     1.121     0    0.097   0.121     1.388   81.429   81.429
LGA    H    29_A      H    29_A     0.929     0    0.251   1.140     8.520   88.214   50.476
LGA    F    30_A      F    30_A     1.319     0    0.025   0.951     2.697   83.690   75.498
LGA    D    31_A      D    31_A     1.922     0    0.599   1.113     5.582   69.286   51.667
LGA    N    32_A      N    32_A     2.456     0    0.364   0.419     5.519   77.381   54.643
LGA    C    33_A      C    33_A     1.169     0    0.490   0.845     1.965   81.548   81.587
LGA    N    34_A      N    34_A     2.650     0    0.214   1.096     7.485   69.405   46.548
LGA    R    35_A      R    35_A     1.269     0    0.082   0.915     5.818   77.143   62.641
LGA    K    36_A      K    36_A     1.089     0    0.173   1.049     3.481   81.548   76.190
LGA    I    37_A      I    37_A     1.328     0    0.157   1.010     3.741   83.690   75.774
LGA    H    38_A      H    38_A     2.750     0    0.467   1.125     6.307   49.524   36.429
LGA    W    39_A      W    39_A     2.622     0    0.136   1.596     5.848   45.119   45.476
LGA    K    40_A      K    40_A     5.645     0    0.138   0.712    17.353   43.690   19.947
LGA    I    41_A      I    41_A     3.260     0    0.522   0.782    10.060   54.762   33.929
LGA    R    42_A      R    42_A     5.093     0    0.650   0.938    16.283   24.881   10.000
LGA    Y    43_A      Y    43_A     9.425     0    0.662   0.944    12.828    2.500    0.833
LGA    G    44_A      G    44_A     8.110     0    0.080   0.080     8.201   10.000   10.000
LGA    K    45_A      K    45_A     5.661     0    0.463   0.933     9.787   25.833   15.238
LGA    L    46_A      L    46_A     4.743     0    0.065   1.173     5.638   36.071   30.536
LGA    R    47_A      R    47_A     2.837     0    0.060   1.531     7.649   59.524   44.935
LGA    L    48_A      L    48_A     2.913     0    0.039   1.101     6.593   59.048   42.560
LGA    V    49_A      V    49_A     2.913     0    0.041   0.922     3.444   60.952   56.259
LGA    D    50_A      D    50_A     2.057     0    0.039   1.057     4.997   70.952   56.845
LGA    H    51_A      H    51_A     1.110     0    0.042   0.096     1.577   81.548   80.619
LGA    A    52_A      A    52_A     1.454     0    0.048   0.061     1.733   81.429   79.714
LGA    L    53_A      L    53_A     0.987     0    0.045   0.137     1.846   88.214   81.607
LGA    S    54_A      S    54_A     0.707     0    0.184   0.706     1.201   88.214   85.952
LGA    H    55_A      H    55_A     0.912     0    0.261   0.358     1.565   86.071   83.286
LGA    Q    56_A      Q    56_A     0.850     0    0.139   0.764     3.841   85.952   73.704
LGA    E    57_A      E    57_A     2.316     4    0.528   0.484     3.937   61.667   33.757
LGA    E    58_A      E    58_A     3.845     4    0.141   0.205     4.438   45.000   24.127
LGA    K    59_A      K    59_A     3.601     0    0.090   0.807     4.483   46.667   43.439
LGA    S    60_A      S    60_A     3.528     0    0.193   0.736     4.488   52.143   49.286
LGA    I    61_A      I    61_A     2.219     0    0.068   1.195     6.087   66.905   57.321
LGA    D    62_A      D    62_A     0.754     0    0.084   0.329     1.796   85.952   84.881
LGA    C    63_A      C    63_A     1.150     0    0.055   0.101     2.394   77.381   77.302
LGA    Q    64_A      Q    64_A     2.795     0    0.201   1.027     5.123   52.262   48.360
LGA    K    65_A      K    65_A     3.055     0    0.097   1.220     9.173   53.571   38.942
LGA    C    66_A      C    66_A     2.783     0    0.037   0.102     3.145   62.976   61.111
LGA    E    67_A      E    67_A     2.087     4    0.429   0.405     2.528   62.857   35.132
LGA    Y    68_A      Y    68_A     1.922     0    0.096   0.162     2.669   75.000   66.905
LGA    S    69_A      S    69_A     1.686     0    0.038   0.610     4.369   68.810   62.857
LGA    C    70_A      C    70_A     2.743     0    0.078   0.119     3.038   57.262   58.492
LGA    Q    71_A      Q    71_A     3.317     0    0.041   0.964     7.896   50.000   34.550
LGA    T    72_A      T    72_A     3.405     0    0.055   1.008     5.867   53.571   44.354
LGA    T    73_A      T    73_A     3.060     0    0.081   1.101     5.444   51.786   45.782
LGA    R    74_A      R    74_A     4.081     0    0.041   1.545     9.824   43.452   25.238
LGA    Q    75_A      Q    75_A     3.061     0    0.044   0.204     4.402   59.405   50.582
LGA    M    76_A      M    76_A     1.520     0    0.033   1.101     5.194   72.976   66.190
LGA    R    77_A      R    77_A     2.561     0    0.062   0.740     7.604   62.857   38.961
LGA    Y    78_A      Y    78_A     2.381     0    0.033   1.184     7.280   70.952   51.230
LGA    H    79_A      H    79_A     0.560     0    0.036   0.173     2.186   88.214   81.762
LGA    Y    80_A      Y    80_A     1.750     0    0.054   0.391     3.055   72.976   70.595
LGA    K    81_A      K    81_A     2.015     0    0.027   0.972     5.604   72.976   56.508
LGA    K    82_A      K    82_A     0.737     0    0.126   1.043     3.898   85.952   80.212
LGA    I    83_A      I    83_A     2.060     0    0.135   0.138     2.966   64.881   67.857
LGA    H    84_A      H    84_A     3.131     0    0.517   0.461     5.547   42.976   51.571
LGA    A    85_A      A    85_A     2.158     0    0.075   0.073     4.859   53.095   55.429
LGA    N    86_A      N    86_A     7.235     3    0.090   0.091     9.747   11.667    6.726
LGA    L    87_A      L    87_A     8.828     0    0.047   1.088     9.958    3.690    5.833
LGA    K    88_A      K    88_A    13.247     0    0.087   1.178    19.771    0.000    0.000
LGA    M    89_A      M    89_A    16.952     0    0.036   1.361    19.461    0.000    0.000
LGA    E    90_A      E    90_A    23.955     0    0.113   1.092    26.438    0.000    0.000
LGA    G    91_A      G    91_A    30.320     0    0.520   0.520    32.586    0.000    0.000
LGA    F    92_A      F    92_A    32.282     0    0.461   1.320    35.969    0.000    0.000
LGA    G    93_A      G    93_A    36.740     0    0.565   0.565    39.165    0.000    0.000
LGA    I    94_A      I    94_A    38.298     0    0.072   1.570    40.824    0.000    0.000
LGA    L    95_A      L    95_A    39.346     0    0.400   1.060    41.590    0.000    0.000
LGA    N    96_A      N    96_A    35.041     0    0.738   1.225    36.114    0.000    0.000
LGA    I    97_A      I    97_A    31.061     0    0.080   0.597    32.350    0.000    0.000
LGA    P    98_A      P    98_A    31.163     0    0.269   0.469    31.682    0.000    0.000
LGA    L    99_A      L    99_A    28.686     0    0.161   0.938    29.688    0.000    0.000
LGA    Q   100_A      Q   100_A    31.348     0    0.382   0.988    35.238    0.000    0.000
LGA    N   101_A      N   101_A    34.684     0    0.594   1.294    35.597    0.000    0.000
LGA    T   102_A      T   102_A    35.667     0    0.040   1.202    36.317    0.000    0.000
LGA    K   103_A      K   103_A    34.320     0    0.050   0.951    35.008    0.000    0.000
LGA    F   104_A      F   104_A    35.045     0    0.045   0.998    36.455    0.000    0.000
LGA    S   105_A      S   105_A    37.246     0    0.038   0.701    38.482    0.000    0.000
LGA    D   106_A      D   106_A    37.967     0    0.024   1.084    40.469    0.000    0.000
LGA    V   107_A      V   107_A    37.032     0    0.027   1.160    38.193    0.000    0.000
LGA    W   108_A      W   108_A    38.521     0    0.028   0.085    41.099    0.000    0.000
LGA    N   109_A      N   109_A    41.326     0    0.037   0.881    43.326    0.000    0.000
LGA    K   110_A      K   110_A    40.992     0    0.031   1.433    41.859    0.000    0.000
LGA    C   111_A      C   111_A    40.776     0    0.045   0.064    42.325    0.000    0.000
LGA    F   112_A      F   112_A    42.160     0    0.258   1.473    44.779    0.000    0.000
LGA    G   113_A      G   113_A    45.226     0    0.266   0.266    45.295    0.000    0.000
LGA    D   114_A      D   114_A    42.671     3    0.692   0.640    43.380    0.000    0.000
LGA    Q   115_A      Q   115_A    38.523     0    0.467   0.701    39.910    0.000    0.000
LGA    L   116_A      L   116_A    36.932     0    0.635   1.448    37.863    0.000    0.000
LGA    K   117_A      K   117_A    37.069     0    0.640   1.066    45.205    0.000    0.000
LGA    T   118_A      T   118_A    32.349     0    0.644   0.974    33.722    0.000    0.000
LGA    I   119_A      I   119_A    34.537     0    0.576   0.947    36.092    0.000    0.000
LGA    G   120_A      G   120_A    38.500     0    0.175   0.175    39.498    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):    15.654         15.601                 16.432           38.120   32.296

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0     55    2.30    42.788    39.323     2.293

LGA_LOCAL      RMSD:   2.298  Number of atoms:   55  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  20.819  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:  15.654  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.804718 * X  +  -0.445544 * Y  +  -0.392326 * Z  +  21.868818
  Y_new =  -0.352732 * X  +  -0.890404 * Y  +   0.287681 * Z  + -10.348442
  Z_new =  -0.477503 * X  +  -0.093116 * Y  +  -0.873682 * Z  +  42.996521 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.413107  0.497811 -3.035414   [DEG:  -23.6693   28.5225 -173.9164 ]
ZXZ: -2.203505  2.633516 -1.763386   [DEG: -126.2515  150.8894 -101.0346 ]
 
# END of job
