
#######################################################
#                                                     #
#                        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   96 (  755),  selected   93 , name one
# Molecule2: number of CA atoms  103 (  817),  selected   93 , 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:    61      55_A - 115_A       4.74    31.38
  LCS_AVERAGE:     51.34

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      23_A - 52_A        1.95    44.33
  LCS_AVERAGE:     20.37

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15      23_A - 37_A        0.82    43.94
  LCS_AVERAGE:      8.99

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   93
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     E    23_A     E    23_A     15   30   37     10   13   14   17   21   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     Q    24_A     Q    24_A     15   30   37      7   13   14   22   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     Y    25_A     Y    25_A     15   30   37     10   13   14   22   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     K    26_A     K    26_A     15   30   37     10   13   14   22   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     E    27_A     E    27_A     15   30   37     10   13   16   22   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     L    28_A     L    28_A     15   30   37     10   13   17   22   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     A    29_A     A    29_A     15   30   37     10   13   17   22   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     H    30_A     H    30_A     15   30   37     10   13   17   22   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     F    31_A     F    31_A     15   30   37     10   13   17   22   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     A    32_A     A    32_A     15   30   37     10   13   17   22   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     V    33_A     V    33_A     15   30   37     10   13   17   22   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     S    34_A     S    34_A     15   30   37     10   13   17   22   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     K    35_A     K    35_A     15   30   37      4   13   17   22   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     Q    36_A     Q    36_A     15   30   37      4   13   17   22   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     V    37_A     V    37_A     15   30   37      3    3   11   17   23   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     E    38_A     E    38_A     12   30   37      3    6   12   13   17   25   28   30   30   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     G    39_A     G    39_A     12   30   37      3    6   12   16   23   27   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     R    40_A     R    40_A     12   30   37      5   13   17   22   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     E    41_A     E    41_A     12   30   37      5   11   17   22   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     F    42_A     F    42_A     12   30   37      5   11   17   22   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     F    43_A     F    43_A     12   30   37      5   11   17   22   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     D    44_A     D    44_A     12   30   37      5   13   17   22   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     T    45_A     T    45_A     12   30   37      6   13   17   22   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     V    46_A     V    46_A     12   30   37      6   13   17   22   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     L    47_A     L    47_A     12   30   37      6   12   17   21   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     E    48_A     E    48_A     12   30   37      6   12   17   21   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     V    49_A     V    49_A     12   30   37      6   13   17   22   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     T    50_A     T    50_A     12   30   37      6   13   17   22   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     D    51_A     D    51_A     12   30   37      3    4   12   21   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     V    52_A     V    52_A      6   30   37      3    4   16   21   26   28   29   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     E    53_A     E    53_A      5   27   37      3    5    8   14   18   24   27   30   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     T    54_A     T    54_A      5    9   50      3    5    6    7   12   16   21   27   31   32   33   34   35   35   35   36   36   36   37   38 
LCS_GDT     Q    55_A     Q    55_A      5    9   61      3    5    6   10   14   19   24   29   31   32   33   34   35   35   41   46   49   53   55   56 
LCS_GDT     V    56_A     V    56_A      5    9   61      3    5    6    7    8   10   15   20   28   33   42   48   49   53   55   55   56   57   58   58 
LCS_GDT     V    57_A     V    57_A      5    9   61      3    5    6    7   11   12   27   40   47   49   51   53   54   55   56   57   58   58   59   59 
LCS_GDT     A    58_A     A    58_A      4    9   61      2    3    7   14   19   29   35   45   47   49   51   53   54   55   56   57   58   58   59   59 
LCS_GDT     G    59_A     G    59_A      3   20   61      3   15   21   26   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     T    60_A     T    60_A     11   20   61      4    6   14   17   26   33   42   43   46   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     N    61_A     N    61_A     11   21   61      7   11   21   26   36   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     Y    62_A     Y    62_A     11   21   61      4   14   21   25   34   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     R    63_A     R    63_A     11   26   61      5   15   21   29   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     I    64_A     I    64_A     11   26   61      7   15   21   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     T    65_A     T    65_A     13   26   61      7   15   23   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     F    66_A     F    66_A     13   26   61      7   15   23   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     K    67_A     K    67_A     13   26   61      5   15   23   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     I    68_A     I    68_A     13   26   61      5   15   23   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     A    69_A     A    69_A     13   26   61      7   15   23   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     E    70_A     E    70_A     13   26   61      7   15   23   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     S    71_A     S    71_A     13   26   61      7   15   23   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     T    72_A     T    72_A     13   26   61      7   13   23   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     C    73_A     C    73_A     13   26   61      7   13   23   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     R    74_A     R    74_A     13   26   61      7   15   23   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     V    75_A     V    75_A     13   26   61      4   15   23   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     T    76_A     T    76_A     13   26   61      4   13   23   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     E    77_A     E    77_A     13   26   61      7   15   23   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     T    78_A     T    78_A     13   26   61      3    5   23   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     Y    79_A     Y    79_A      7   26   61      4    5    7   15   17   31   39   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     S    80_A     S    80_A      7   26   61      3   15   23   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     K    81_A     K    81_A      7   26   61      4    5    7   11   22   34   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     E    82_A     E    82_A      7   26   61      4    5    9   12   29   39   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     T    83_A     T    83_A      7   26   61      4    5   18   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     C    84_A     C    84_A      7   26   61      4   10   22   28   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     L    85_A     L    85_A      7   26   61      7   12   20   28   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     P    86_A     P    86_A      6   26   61      7   13   23   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     K    87_A     K    87_A      5   26   61      4   13   23   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     T    88_A     T    88_A      5   26   61      3    8   12   22   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     R    89_A     R    89_A      5   13   61      3    4    5   10   12   20   37   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     D    90_A     D    90_A      5   13   61      3    4    9   15   22   29   41   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     V    91_A     V    91_A      5   13   61      3    4    5   10   15   25   40   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     K    92_A     K    92_A      5   12   61      7   15   23   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     S    93_A     S    93_A      6   12   61      5   15   22   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     T    94_A     T    94_A      6   12   61      5   15   23   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     C    95_A     C    95_A      6   12   61      7   15   23   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     T    96_A     T    96_A      6   12   61      7   15   21   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     A    97_A     A    97_A      6   12   61      5    8   13   17   26   37   42   45   48   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     V    98_A     V    98_A      6   12   61      5   15   21   28   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     I    99_A     I    99_A      6   12   61      5   15   21   29   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     T   100_A     T   100_A      6   12   61      5   13   21   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     E   101_A     E   101_A      6   12   61      4    8   18   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     P   102_A     P   102_A      4    4   61      3    4    4    4    4    6    8   11   16   19   23   48   53   55   56   57   58   58   59   59 
LCS_GDT     L   103_A     L   103_A      4    4   61      3    4    4    4    6    7   10   12   17   19   22   28   37   51   55   57   58   58   59   59 
LCS_GDT     N   104_A     N   104_A      3    4   61      3    3    4    4    4    5    7    9   14   17   19   21   24   32   52   53   58   58   59   59 
LCS_GDT     N   105_A     N   105_A      3    4   61      3    3    4    5    5    6    8   11   14   17   18   21   23   23   28   31   52   57   59   59 
LCS_GDT     E   106_A     E   106_A      3    4   61      1    3    4    5    6    7    9   12   17   19   23   28   48   53   56   57   58   58   59   59 
LCS_GDT     R   107_A     R   107_A      3    4   61      0    3    3    5    5   20   23   41   45   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     F   108_A     F   108_A      3    3   61      3    3    3   10   14   19   20   43   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     V   109_A     V   109_A      3    5   61      3    3    7   13   18   31   41   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     H   110_A     H   110_A      3    5   61      3    3    4   14   20   34   38   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     S   111_A     S   111_A      5    5   61      7   15   23   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     F   112_A     F   112_A      5    5   61      5   15   21   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     T   113_A     T   113_A      5    5   61      7   15   23   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     C   114_A     C   114_A      5    5   61      5   14   23   30   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_GDT     G   115_A     G   115_A      5    5   61      5    9   21   28   37   40   42   45   49   51   52   53   54   55   56   57   58   58   59   59 
LCS_AVERAGE  LCS_A:  26.90  (   8.99   20.37   51.34 )

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     10     15     23     30     37     40     42     45     49     51     52     53     54     55     56     57     58     58     59     59 
GDT PERCENT_AT   9.71  14.56  22.33  29.13  35.92  38.83  40.78  43.69  47.57  49.51  50.49  51.46  52.43  53.40  54.37  55.34  56.31  56.31  57.28  57.28
GDT RMS_LOCAL    0.27   0.64   1.03   1.38   1.67   1.82   1.94   2.27   2.66   2.82   2.85   3.01   3.11   3.28   3.51   3.76   4.00   4.00   4.28   4.28
GDT RMS_ALL_AT  44.04  30.33  31.49  31.24  31.24  31.12  31.05  31.13  31.35  31.34  31.30  31.20  31.22  31.28  31.34  31.43  31.51  31.51  31.58  31.58

# Checking swapping
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  E    27_A      E    27_A
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  Y    62_A      Y    62_A
#   possible swapping detected:  E    77_A      E    77_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  E   101_A      E   101_A
#   possible swapping detected:  F   108_A      F   108_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E    23_A      E    23_A    41.988     0    0.257   1.079    48.316    0.000    0.000
LGA    Q    24_A      Q    24_A    39.953     0    0.057   0.747    40.334    0.000    0.000
LGA    Y    25_A      Y    25_A    36.801     0    0.095   1.353    39.849    0.000    0.000
LGA    K    26_A      K    26_A    43.810     0    0.033   0.858    46.798    0.000    0.000
LGA    E    27_A      E    27_A    46.947     0    0.032   1.602    48.229    0.000    0.000
LGA    L    28_A      L    28_A    42.149     0    0.029   0.172    43.508    0.000    0.000
LGA    A    29_A      A    29_A    44.432     0    0.035   0.040    48.241    0.000    0.000
LGA    H    30_A      H    30_A    51.536     0    0.016   1.183    58.562    0.000    0.000
LGA    F    31_A      F    31_A    49.961     0    0.057   1.384    50.495    0.000    0.000
LGA    A    32_A      A    32_A    46.606     0    0.031   0.039    49.605    0.000    0.000
LGA    V    33_A      V    33_A    53.039     0    0.107   0.812    56.614    0.000    0.000
LGA    S    34_A      S    34_A    57.204     0    0.128   0.698    58.567    0.000    0.000
LGA    K    35_A      K    35_A    53.535     0    0.168   1.077    54.406    0.000    0.000
LGA    Q    36_A      Q    36_A    54.476     0    0.582   1.193    58.661    0.000    0.000
LGA    V    37_A      V    37_A    61.381     0    0.335   1.072    64.170    0.000    0.000
LGA    E    38_A      E    38_A    60.642     0    0.370   1.430    62.021    0.000    0.000
LGA    G    39_A      G    39_A    65.260     0    0.280   0.280    69.108    0.000    0.000
LGA    R    40_A      R    40_A    69.846     0    0.110   1.317    72.250    0.000    0.000
LGA    E    41_A      E    41_A    76.844     0    0.060   0.927    84.744    0.000    0.000
LGA    F    42_A      F    42_A    75.124     0    0.062   1.255    84.748    0.000    0.000
LGA    F    43_A      F    43_A    69.020     0    0.030   1.300    71.822    0.000    0.000
LGA    D    44_A      D    44_A    64.840     0    0.038   0.198    66.354    0.000    0.000
LGA    T    45_A      T    45_A    62.364     0    0.020   1.128    66.260    0.000    0.000
LGA    V    46_A      V    46_A    56.778     0    0.067   0.104    59.169    0.000    0.000
LGA    L    47_A      L    47_A    58.500     0    0.035   1.383    63.171    0.000    0.000
LGA    E    48_A      E    48_A    51.656     0    0.051   0.830    53.858    0.000    0.000
LGA    V    49_A      V    49_A    44.330     0    0.051   0.100    46.964    0.000    0.000
LGA    T    50_A      T    50_A    40.828     0    0.640   0.551    44.992    0.000    0.000
LGA    D    51_A      D    51_A    33.734     0    0.052   0.367    36.636    0.000    0.000
LGA    V    52_A      V    52_A    28.232     0    0.096   0.117    29.809    0.000    0.000
LGA    E    53_A      E    53_A    24.780     0    0.149   1.001    30.208    0.000    0.000
LGA    T    54_A      T    54_A    19.289     0    0.215   1.132    21.224    0.000    0.000
LGA    Q    55_A      Q    55_A    13.387     0    0.062   0.233    15.613    0.000    0.000
LGA    V    56_A      V    56_A     8.775     0    0.044   0.128    10.045    6.548    6.531
LGA    V    57_A      V    57_A     6.779     0    0.190   0.930     9.823    6.429    7.007
LGA    A    58_A      A    58_A     7.281     0    0.435   0.453     8.447   11.071    9.810
LGA    G    59_A      G    59_A     2.726     0    0.655   0.655     3.859   57.500   57.500
LGA    T    60_A      T    60_A     5.114     0    0.141   0.969     9.034   37.500   23.673
LGA    N    61_A      N    61_A     2.649     0    0.154   1.091     4.987   50.238   48.810
LGA    Y    62_A      Y    62_A     2.860     0    0.040   0.291     7.233   62.857   37.937
LGA    R    63_A      R    63_A     2.140     0    0.109   1.011     3.797   66.786   56.970
LGA    I    64_A      I    64_A     1.699     0    0.102   0.998     3.853   68.929   70.476
LGA    T    65_A      T    65_A     1.396     0    0.031   0.083     1.669   79.286   76.531
LGA    F    66_A      F    66_A     1.565     0    0.090   0.130     1.598   75.000   77.532
LGA    K    67_A      K    67_A     1.859     0    0.053   0.251     2.348   72.857   71.058
LGA    I    68_A      I    68_A     1.785     0    0.030   0.071     2.622   72.857   67.857
LGA    A    69_A      A    69_A     1.312     0    0.017   0.021     1.417   81.429   81.429
LGA    E    70_A      E    70_A     0.895     0    0.039   0.485     2.170   88.214   84.603
LGA    S    71_A      S    71_A     1.281     0    0.036   0.182     1.725   83.690   81.508
LGA    T    72_A      T    72_A     2.023     0    0.088   0.104     2.994   66.786   62.653
LGA    C    73_A      C    73_A     2.230     0    0.060   0.166     2.834   64.762   63.492
LGA    R    74_A      R    74_A     2.016     0    0.025   1.264     4.751   66.786   62.251
LGA    V    75_A      V    75_A     2.198     0    0.126   1.206     3.848   64.762   65.374
LGA    T    76_A      T    76_A     1.458     0    0.223   0.262     1.842   77.143   77.755
LGA    E    77_A      E    77_A     1.105     0    0.044   0.498     1.501   85.952   82.487
LGA    T    78_A      T    78_A     2.360     0    0.579   0.957     5.703   61.190   51.361
LGA    Y    79_A      Y    79_A     4.691     0    0.042   1.146    15.675   42.143   15.437
LGA    S    80_A      S    80_A     1.541     0    0.034   0.088     2.626   64.881   70.476
LGA    K    81_A      K    81_A     4.114     0    0.053   0.808    13.614   46.786   23.280
LGA    E    82_A      E    82_A     3.332     0    0.027   0.868     5.888   57.262   42.540
LGA    T    83_A      T    83_A     1.795     0    0.148   0.204     2.834   71.071   68.435
LGA    C    84_A      C    84_A     2.574     0    0.195   0.202     3.102   61.071   58.571
LGA    L    85_A      L    85_A     2.569     0    0.067   0.171     4.441   67.143   55.417
LGA    P    86_A      P    86_A     1.438     0    0.077   0.291     2.789   79.286   74.354
LGA    K    87_A      K    87_A     1.022     0    0.630   0.978     5.688   77.262   64.444
LGA    T    88_A      T    88_A     2.894     0    0.582   1.406     6.440   47.262   40.068
LGA    R    89_A      R    89_A     5.993     6    0.446   0.413     8.136   19.762    7.619
LGA    D    90_A      D    90_A     4.723     0    0.144   1.188     6.643   38.929   31.012
LGA    V    91_A      V    91_A     5.130     0    0.032   0.065     9.845   30.952   20.204
LGA    K    92_A      K    92_A     2.079     0    0.586   1.002    13.328   73.214   38.889
LGA    S    93_A      S    93_A     2.115     0    0.143   0.585     2.877   70.833   68.889
LGA    T    94_A      T    94_A     1.066     0    0.033   0.108     1.468   81.429   85.306
LGA    C    95_A      C    95_A     1.326     0    0.085   0.139     2.374   81.429   77.222
LGA    T    96_A      T    96_A     1.472     0    0.051   0.064     2.174   73.095   74.286
LGA    A    97_A      A    97_A     3.778     0    0.277   0.431     4.917   53.690   49.238
LGA    V    98_A      V    98_A     2.301     0    0.104   0.962     3.387   62.857   61.565
LGA    I    99_A      I    99_A     1.821     0    0.055   1.370     3.824   72.976   66.250
LGA    T   100_A      T   100_A     1.211     0    0.651   0.995     3.521   71.905   72.381
LGA    E   101_A      E   101_A     1.434     0    0.136   1.410     6.027   56.548   57.037
LGA    P   102_A      P   102_A     8.899     0    0.656   0.666    10.517    5.119    4.898
LGA    L   103_A      L   103_A    11.421     0    0.135   1.396    15.646    0.000    0.000
LGA    N   104_A      N   104_A    12.078     0    0.098   0.800    14.079    0.000    0.000
LGA    N   105_A      N   105_A    13.448     0    0.609   0.575    18.222    0.000    0.000
LGA    E   106_A      E   106_A    10.206     0    0.620   0.684    11.108    0.476    5.820
LGA    R   107_A      R   107_A     6.622     0    0.671   0.907    12.492   12.619    9.437
LGA    F   108_A      F   108_A     5.647     0    0.546   0.620    13.477   22.738    9.351
LGA    V   109_A      V   109_A     4.821     0    0.633   0.606     5.794   27.619   31.020
LGA    H   110_A      H   110_A     5.194     0    0.049   0.112     8.277   37.738   21.810
LGA    S   111_A      S   111_A     0.928     0    0.664   0.841     3.711   71.667   67.143
LGA    F   112_A      F   112_A     1.288     0    0.043   1.398     8.620   85.952   47.056
LGA    T   113_A      T   113_A     0.542     0    0.068   1.119     3.004   90.476   82.177
LGA    C   114_A      C   114_A     1.844     0    0.091   0.128     3.020   65.119   62.460
LGA    G   115_A      G   115_A     2.407     0    0.688   0.688     4.652   56.548   56.548

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       93     372    372  100.00     735    735  100.00               103
SUMMARY(RMSD_GDC):    26.056         26.099                 26.956           31.907   28.595

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   96  103    4.0     45    2.27    35.680    34.252     1.901

LGA_LOCAL      RMSD:   2.268  Number of atoms:   45  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  31.130  Number of assigned atoms:   93 
Std_ASGN_ATOMS RMSD:  26.056  Standard rmsd on all 93 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.686752 * X  +  -0.721408 * Y  +   0.089116 * Z  + -26.843224
  Y_new =  -0.205808 * X  +  -0.075394 * Y  +   0.975684 * Z  +  32.771111
  Z_new =  -0.697147 * X  +  -0.688394 * Y  +  -0.200248 * Z  +  22.608845 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.291166  0.771411 -1.853876   [DEG:  -16.6826   44.1986 -106.2193 ]
ZXZ:  3.050508  1.772407 -2.349877   [DEG:  174.7812  101.5515 -134.6380 ]
 
# END of job
