
#######################################################
#                                                     #
#                        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   89 (  714),  selected   89 , name one
# Molecule2: number of CA atoms  126 ( 1024),  selected   89 , 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:    72      24_B - 95_B        5.00     6.22
  LCS_AVERAGE:     50.91

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    32      64_B - 95_B        1.95     7.15
  LCS_AVERAGE:     18.54

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22      53_B - 74_B        0.92     8.10
  LCS_AVERAGE:     10.61

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   89
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     7_B     E     7_B     16   17   21      7   14   16   16   24   31   37   43   48   50   53   58   62   67   75   78   80   84   86   88 
LCS_GDT     E     8_B     E     8_B     16   17   21      9   14   16   16   17   31   37   43   48   50   53   58   60   66   73   78   80   84   86   88 
LCS_GDT     A     9_B     A     9_B     16   17   21      9   14   16   16   17   28   35   43   48   50   53   58   61   67   75   78   80   84   86   88 
LCS_GDT     K    10_B     K    10_B     16   17   31      9   14   16   16   17   30   37   43   48   50   53   58   62   67   75   78   80   84   86   88 
LCS_GDT     E    11_B     E    11_B     16   17   31      9   14   16   16   24   31   37   43   48   50   53   58   61   67   75   78   80   84   86   88 
LCS_GDT     A    12_B     A    12_B     16   17   31      9   14   16   19   25   31   37   43   48   50   53   58   60   66   75   78   80   84   86   88 
LCS_GDT     I    13_B     I    13_B     16   17   31      9   14   16   16   24   31   37   43   48   50   53   58   62   67   75   78   80   84   86   88 
LCS_GDT     I    14_B     I    14_B     16   17   31      9   14   16   16   24   31   37   43   48   50   53   58   62   67   75   78   80   84   86   88 
LCS_GDT     A    15_B     A    15_B     16   17   31      9   14   16   19   25   31   37   43   48   50   53   58   61   67   75   78   80   84   86   88 
LCS_GDT     M    16_B     M    16_B     16   17   31      9   14   16   19   25   31   37   43   48   50   53   58   60   66   75   78   80   84   86   88 
LCS_GDT     L    17_B     L    17_B     16   17   31      9   14   16   16   17   28   37   43   48   50   53   58   62   67   75   78   80   84   86   88 
LCS_GDT     K    18_B     K    18_B     16   17   31      9   14   16   16   17   28   37   43   48   50   53   58   62   67   75   78   80   84   86   88 
LCS_GDT     E    19_B     E    19_B     16   17   31      9   14   16   16   25   31   37   43   48   50   53   58   61   66   75   78   80   84   86   88 
LCS_GDT     W    20_B     W    20_B     16   17   31      9   14   16   16   17   17   37   43   48   50   53   58   61   66   75   78   80   84   86   88 
LCS_GDT     Y    21_B     Y    21_B     16   17   31      9   14   16   16   17   17   17   41   48   50   53   58   62   67   75   78   80   84   86   88 
LCS_GDT     D    22_B     D    22_B     16   17   44      9   14   16   16   17   17   34   41   48   50   53   58   62   67   75   78   80   84   86   88 
LCS_GDT     A    23_B     A    23_B      4   17   46      4    4    6   13   17   27   34   43   48   50   53   58   62   67   75   78   80   84   86   88 
LCS_GDT     M    24_B     M    24_B      4    5   72      4    4    4    4    7   10   11   15   21   37   43   48   62   67   75   78   80   84   86   88 
LCS_GDT     N    25_B     N    25_B      4    5   72      4    4    4   10   13   17   20   29   35   42   46   50   56   64   75   77   80   84   86   88 
LCS_GDT     E    26_B     E    26_B      3    5   72      4    4    4   10   12   17   20   28   37   42   46   50   53   58   71   76   80   84   86   88 
LCS_GDT     G    27_B     G    27_B      3   11   72      4    4    4    5    5    7   22   31   36   41   44   46   50   54   61   65   70   76   84   88 
LCS_GDT     D    28_B     D    28_B      9   11   72      7    8    8   10   13   15   16   31   43   55   57   59   60   63   70   78   80   84   86   88 
LCS_GDT     M    29_B     M    29_B      9   11   72      7    8    8   11   15   23   34   39   48   55   57   59   60   67   75   78   80   84   86   88 
LCS_GDT     E    30_B     E    30_B      9   11   72      7    8    9   11   20   25   34   37   48   55   57   59   60   65   75   78   80   84   86   88 
LCS_GDT     K    31_B     K    31_B      9   11   72      7    8    9   11   16   23   34   37   48   55   57   59   60   65   75   78   80   84   86   88 
LCS_GDT     L    32_B     L    32_B      9   11   72      7    8    9   11   16   23   30   36   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     R    33_B     R    33_B      9   15   72      7    8    9   11   17   23   30   37   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     S    34_B     S    34_B      9   19   72      7    8   11   14   17   23   34   37   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     L    35_B     L    35_B      9   19   72      3    8   11   14   17   23   30   37   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     V    36_B     V    36_B      9   19   72      3    6   11   14   20   31   36   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     D    37_B     D    37_B      7   19   72      3    6   11   22   32   36   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     P    38_B     P    38_B      7   19   72      4   13   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     D    39_B     D    39_B      7   19   72      3    6   11   14   17   35   41   44   48   50   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     A    40_B     A    40_B      7   19   72      3    6    8   18   19   35   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     S    41_B     S    41_B      7   19   72      3    6   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     F    42_B     F    42_B      7   19   72      4   10   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     V    43_B     V    43_B      7   19   72      4    7   20   26   30   33   36   40   43   49   57   59   60   65   70   78   80   84   86   88 
LCS_GDT     D    44_B     D    44_B      7   19   72      4    6    8   12   24   30   34   38   42   45   56   59   60   63   70   78   80   84   86   88 
LCS_GDT     A    45_B     A    45_B      7   19   72      4    6   12   19   23   30   32   35   40   45   50   59   60   63   67   73   80   84   86   88 
LCS_GDT     R    46_B     R    46_B      5   19   72      3    4   11   14   19   22   27   30   33   39   47   52   56   62   65   72   77   82   86   88 
LCS_GDT     T    47_B     T    47_B      4   19   72      3    4   10   14   18   22   26   28   33   39   47   52   56   62   67   72   78   84   86   88 
LCS_GDT     N    48_B     N    48_B      6   19   72      5    5    9   12   15   19   21   25   28   29   37   43   52   59   63   71   76   82   86   88 
LCS_GDT     Q    49_B     Q    49_B      6   19   72      5    5   11   14   16   19   22   25   30   34   37   49   56   60   67   72   78   84   86   88 
LCS_GDT     V    50_B     V    50_B      6   19   72      5    5    9   12   14   19   21   22   26   29   33   37   42   50   59   65   70   79   85   88 
LCS_GDT     Y    51_B     Y    51_B      6   23   72      5    5   11   14   16   19   24   27   33   36   44   47   56   62   66   72   78   84   86   88 
LCS_GDT     D    52_B     D    52_B      6   27   72      5    5   10   12   16   19   21   27   32   36   39   46   52   57   61   66   74   82   86   88 
LCS_GDT     K    53_B     K    53_B     22   27   72      7   19   23   30   34   37   41   44   48   55   57   59   60   67   75   78   80   84   86   88 
LCS_GDT     D    54_B     D    54_B     22   27   72      7   19   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     Q    55_B     Q    55_B     22   27   72      7   19   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     F    56_B     F    56_B     22   27   72      7   19   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     L    57_B     L    57_B     22   27   72     11   19   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     Q    58_B     Q    58_B     22   27   72     11   19   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     M    59_B     M    59_B     22   27   72     11   19   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     I    60_B     I    60_B     22   27   72     11   19   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     K    61_B     K    61_B     22   27   72     11   19   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     E    62_B     E    62_B     22   27   72     11   19   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     A    63_B     A    63_B     22   27   72     11   19   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     L    64_B     L    64_B     22   32   72     11   19   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     E    65_B     E    65_B     22   32   72     11   19   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     Q    66_B     Q    66_B     22   32   72     11   19   23   30   34   36   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     D    67_B     D    67_B     22   32   72     11   19   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     L    68_B     L    68_B     22   32   72      4   18   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     K    69_B     K    69_B     22   32   72     16   19   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     V    70_B     V    70_B     22   32   72     16   19   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     E    71_B     E    71_B     22   32   72     16   18   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     V    72_B     V    72_B     22   32   72     16   18   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     K    73_B     K    73_B     22   32   72     16   18   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     S    74_B     S    74_B     22   32   72     16   18   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     I    75_B     I    75_B     21   32   72     16   18   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     D    76_B     D    76_B     13   32   72     16   18   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     I    77_B     I    77_B     13   32   72     16   18   21   28   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     E    78_B     E    78_B     13   32   72      4   18   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     Q    79_B     Q    79_B     12   32   72      4    5    9   20   23   32   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     Q    80_B     Q    80_B      5   32   72      4    5   18   21   26   33   40   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     P    81_B     P    81_B      5   32   72      3    5    5    7   10   25   34   43   48   50   53   58   62   67   75   78   80   84   86   88 
LCS_GDT     D    82_B     D    82_B     11   32   72      3    4   21   24   27   32   37   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     G    83_B     G    83_B     12   32   72      6    8   21   24   27   32   38   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     D    84_B     D    84_B     12   32   72      6   12   21   24   27   32   37   43   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     V    85_B     V    85_B     12   32   72      6   15   21   24   27   32   37   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     V    86_B     V    86_B     12   32   72      6   15   21   24   28   34   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     I    87_B     I    87_B     12   32   72      8   18   21   24   31   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     V    88_B     V    88_B     12   32   72     16   18   21   27   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     K    89_B     K    89_B     12   32   72     16   18   22   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     V    90_B     V    90_B     12   32   72     16   18   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     K    91_B     K    91_B     12   32   72     16   19   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     V    92_B     V    92_B     12   32   72     16   19   23   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     R    93_B     R    93_B     12   32   72     16   18   22   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     A    94_B     A    94_B     12   32   72     16   18   22   30   34   37   41   44   48   55   57   59   62   67   75   78   80   84   86   88 
LCS_GDT     T    95_B     T    95_B     12   32   72      5   18   21   24   32   37   41   44   48   55   57   59   61   66   75   78   80   84   86   88 
LCS_AVERAGE  LCS_A:  26.69  (  10.61   18.54   50.91 )

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     19     23     30     34     37     41     44     48     55     57     59     62     67     75     78     80     84     86     88 
GDT PERCENT_AT  12.70  15.08  18.25  23.81  26.98  29.37  32.54  34.92  38.10  43.65  45.24  46.83  49.21  53.17  59.52  61.90  63.49  66.67  68.25  69.84
GDT RMS_LOCAL    0.31   0.65   0.93   1.29   1.43   1.76   2.00   2.27   2.69   3.34   3.42   3.57   4.20   4.46   4.86   5.00   5.15   5.47   5.63   5.82
GDT RMS_ALL_AT   7.43   8.02   8.06   7.00   6.96   6.65   6.53   6.37   6.20   6.20   6.17   6.19   6.04   6.07   6.08   6.06   6.01   5.93   5.91   5.90

# Checking swapping
#   possible swapping detected:  E     7_B      E     7_B
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  E    19_B      E    19_B
#   possible swapping detected:  E    26_B      E    26_B
#   possible swapping detected:  D    28_B      D    28_B
#   possible swapping detected:  D    37_B      D    37_B
#   possible swapping detected:  F    42_B      F    42_B
#   possible swapping detected:  D    44_B      D    44_B
#   possible swapping detected:  D    52_B      D    52_B
#   possible swapping detected:  E    62_B      E    62_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     8.042     0    0.272   0.925    10.609    3.929    2.540
LGA    E     8_B      E     8_B     9.675     0    0.066   1.477    11.839    0.952    0.423
LGA    A     9_B      A     9_B     8.750     0    0.030   0.029     8.919    3.810    3.619
LGA    K    10_B      K    10_B     7.000     0    0.039   0.765     9.306   10.119    8.519
LGA    E    11_B      E    11_B     8.565     0    0.047   0.723     9.856    3.571    3.175
LGA    A    12_B      A    12_B     9.458     0    0.042   0.045     9.905    2.143    1.810
LGA    I    13_B      I    13_B     7.977     0    0.071   0.429     8.478    6.548    6.607
LGA    I    14_B      I    14_B     7.429     0    0.046   1.194    10.305    7.857    6.786
LGA    A    15_B      A    15_B     9.042     0    0.056   0.054     9.631    2.262    1.905
LGA    M    16_B      M    16_B     9.077     0    0.045   0.094    11.352    2.976    1.726
LGA    L    17_B      L    17_B     7.509     0    0.069   0.154     7.978    8.571    9.286
LGA    K    18_B      K    18_B     8.034     0    0.062   1.066     8.572    5.357    8.730
LGA    E    19_B      E    19_B     9.253     0    0.042   1.044    11.294    2.500    1.164
LGA    W    20_B      W    20_B     8.073     0    0.128   1.047    10.245    5.952    3.912
LGA    Y    21_B      Y    21_B     7.308     0    0.036   1.461    15.684    8.571    3.929
LGA    D    22_B      D    22_B     8.612     0    0.572   0.883    12.680    6.190    3.452
LGA    A    23_B      A    23_B     7.639     0    0.171   0.177     8.301    5.952    5.714
LGA    M    24_B      M    24_B     9.770     0    0.288   1.008    14.497    1.310    0.655
LGA    N    25_B      N    25_B    10.915     0    0.624   0.839    13.390    0.000    0.000
LGA    E    26_B      E    26_B    12.334     0    0.135   1.036    13.974    0.000    0.000
LGA    G    27_B      G    27_B    13.147     0    0.393   0.393    13.432    0.000    0.000
LGA    D    28_B      D    28_B     8.766     0    0.560   1.341     9.519    3.214    7.560
LGA    M    29_B      M    29_B     7.454     0    0.070   0.622     9.620    8.571    5.952
LGA    E    30_B      E    30_B     8.072     0    0.071   0.637     9.445    4.762    4.974
LGA    K    31_B      K    31_B     8.532     0    0.037   0.783     9.608    4.286    3.069
LGA    L    32_B      L    32_B     7.668     0    0.071   0.114     8.026    7.976    8.274
LGA    R    33_B      R    33_B     7.336     0    0.080   1.110     9.400    9.286   10.346
LGA    S    34_B      S    34_B     7.858     0    0.166   0.751     8.160    6.548    5.952
LGA    L    35_B      L    35_B     7.635     0    0.184   0.158     9.170    9.405    6.310
LGA    V    36_B      V    36_B     5.229     0    0.205   1.119     5.878   29.048   28.571
LGA    D    37_B      D    37_B     3.219     0    0.017   0.909     4.060   64.167   52.976
LGA    P    38_B      P    38_B     0.802     0    0.032   0.028     2.474   77.381   78.027
LGA    D    39_B      D    39_B     3.164     0    0.290   0.636     5.628   44.881   44.940
LGA    A    40_B      A    40_B     3.243     0    0.063   0.082     4.740   69.762   62.095
LGA    S    41_B      S    41_B     2.415     0    0.094   0.613     4.473   64.762   56.587
LGA    F    42_B      F    42_B     2.374     0    0.102   1.273     9.472   47.024   30.130
LGA    V    43_B      V    43_B     5.671     0    0.075   0.148     8.392   32.024   22.313
LGA    D    44_B      D    44_B     6.755     0    0.080   1.088     9.591    8.571    7.917
LGA    A    45_B      A    45_B     8.370     0    0.602   0.574    10.514    4.048    4.190
LGA    R    46_B      R    46_B    10.597     0    0.424   1.614    17.585    0.119    0.043
LGA    T    47_B      T    47_B    10.532     0    0.050   0.164    12.073    0.000    0.000
LGA    N    48_B      N    48_B    11.827     0    0.526   1.079    16.105    0.000    0.000
LGA    Q    49_B      Q    49_B     9.761     0    0.087   0.590     9.999    0.714    4.392
LGA    V    50_B      V    50_B    10.959     0    0.017   0.030    13.607    0.000    0.000
LGA    Y    51_B      Y    51_B     8.103     0    0.016   1.445     9.839    3.452    6.508
LGA    D    52_B      D    52_B     8.197     0    0.088   1.100    12.412   13.214    6.607
LGA    K    53_B      K    53_B     3.500     0    0.525   1.092     7.625   49.524   41.587
LGA    D    54_B      D    54_B     2.709     0    0.099   0.121     3.258   55.357   55.417
LGA    Q    55_B      Q    55_B     3.251     0    0.063   1.354     4.437   53.571   51.323
LGA    F    56_B      F    56_B     2.958     0    0.040   0.099     3.555   61.190   52.857
LGA    L    57_B      L    57_B     1.595     0    0.022   1.035     3.807   77.143   70.298
LGA    Q    58_B      Q    58_B     1.444     0    0.052   0.468     3.501   81.429   70.741
LGA    M    59_B      M    59_B     1.528     0    0.057   0.722     2.250   77.143   75.060
LGA    I    60_B      I    60_B     1.086     0    0.016   0.614     1.857   85.952   86.071
LGA    K    61_B      K    61_B     0.443     0    0.083   0.904     3.834   92.976   77.196
LGA    E    62_B      E    62_B     1.667     0    0.017   1.283     3.101   72.976   65.132
LGA    A    63_B      A    63_B     1.556     0    0.038   0.034     1.575   77.143   76.286
LGA    L    64_B      L    64_B     0.826     0    0.030   1.373     3.840   85.952   74.048
LGA    E    65_B      E    65_B     2.141     0    0.037   0.183     3.083   61.190   65.979
LGA    Q    66_B      Q    66_B     2.827     0    0.339   1.076     3.837   62.976   59.894
LGA    D    67_B      D    67_B     2.141     0    0.032   0.800     5.171   68.810   54.345
LGA    L    68_B      L    68_B     2.285     0    0.112   1.400     6.157   62.857   51.607
LGA    K    69_B      K    69_B     1.530     0    0.167   0.845     3.976   75.000   68.942
LGA    V    70_B      V    70_B     1.288     0    0.064   0.112     2.407   81.548   75.510
LGA    E    71_B      E    71_B     0.986     0    0.031   0.529     3.983   85.952   75.503
LGA    V    72_B      V    72_B     1.566     0    0.097   0.111     2.550   69.048   69.524
LGA    K    73_B      K    73_B     2.419     0    0.111   1.098     3.725   61.190   55.079
LGA    S    74_B      S    74_B     1.788     0    0.080   0.560     3.097   75.000   70.476
LGA    I    75_B      I    75_B     1.567     0    0.024   0.124     2.233   72.857   71.845
LGA    D    76_B      D    76_B     1.411     0    0.034   0.456     2.316   81.429   78.274
LGA    I    77_B      I    77_B     1.727     0    0.059   1.061     4.535   70.833   59.048
LGA    E    78_B      E    78_B     1.577     0    0.160   0.749     3.620   72.976   67.937
LGA    Q    79_B      Q    79_B     3.703     0    0.034   0.621    10.559   57.619   30.635
LGA    Q    80_B      Q    80_B     4.421     0    0.075   1.591     8.482   28.214   21.111
LGA    P    81_B      P    81_B     8.393     0    0.413   0.410     9.217    7.024    6.531
LGA    D    82_B      D    82_B     6.943     0    0.394   0.487     9.805   13.333    8.690
LGA    G    83_B      G    83_B     6.791     0    0.194   0.194     7.169   11.667   11.667
LGA    D    84_B      D    84_B     7.961     0    0.177   0.417    10.364    7.857    4.643
LGA    V    85_B      V    85_B     6.586     0    0.208   0.237     7.279   13.452   14.082
LGA    V    86_B      V    86_B     4.171     0    0.024   0.127     4.915   38.810   39.116
LGA    I    87_B      I    87_B     2.846     0    0.042   0.189     4.358   61.190   53.155
LGA    V    88_B      V    88_B     1.581     0    0.104   0.189     2.394   75.000   70.612
LGA    K    89_B      K    89_B     1.020     0    0.068   0.619     3.440   88.214   75.450
LGA    V    90_B      V    90_B     0.574     0    0.042   0.087     1.085   88.214   93.265
LGA    K    91_B      K    91_B     1.379     0    0.051   0.743     5.791   83.690   59.683
LGA    V    92_B      V    92_B     1.241     0    0.041   1.063     2.624   77.143   74.286
LGA    R    93_B      R    93_B     1.881     0    0.117   0.996     6.660   72.857   52.814
LGA    A    94_B      A    94_B     1.771     0    0.129   0.152     2.324   68.810   68.000
LGA    T    95_B      T    95_B     3.041     0    0.201   0.222     3.242   51.786   56.327

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       89     356    356  100.00     714    714  100.00               126
SUMMARY(RMSD_GDC):     5.901          5.894                  6.425           26.339   23.744

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89  126    4.0     44    2.27    33.929    30.331     1.856

LGA_LOCAL      RMSD:   2.271  Number of atoms:   44  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.373  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:   5.901  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.311246 * X  +   0.922969 * Y  +   0.226395 * Z  +   9.815602
  Y_new =  -0.761858 * X  +  -0.099934 * Y  +  -0.639988 * Z  +  13.214266
  Z_new =  -0.568065 * X  +  -0.371675 * Y  +   0.734275 * Z  +  27.228243 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.958639  0.604153 -0.468579   [DEG: -112.2218   34.6154  -26.8476 ]
ZXZ:  0.340010  0.746198 -2.150176   [DEG:   19.4811   42.7540 -123.1960 ]
 
# END of job
