
#######################################################
#                                                     #
#                        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   83 (  654),  selected   81 , name one
# Molecule2: number of CA atoms   81 (  640),  selected   81 , 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:    67      17_B - 83_B        4.90     8.86
  LCS_AVERAGE:     73.33

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    45      38_B - 82_B        1.99     8.02
  LONGEST_CONTINUOUS_SEGMENT:    45      39_B - 83_B        1.92     8.10
  LCS_AVERAGE:     36.88

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    41      43_B - 83_B        0.86     8.58
  LCS_AVERAGE:     29.23

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   81
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     G     3_B     G     3_B      4   13   23      4    6   10   13   15   18   22   24   25   28   31   34   47   50   50   54   57   62   66   66 
LCS_GDT     M     4_B     M     4_B      8   13   23      4    6   10   13   15   18   22   24   25   33   35   42   47   50   52   56   58   62   66   66 
LCS_GDT     E     5_B     E     5_B      8   13   23      4    6    9   13   15   18   22   24   27   33   39   43   47   50   53   57   59   62   66   66 
LCS_GDT     K     6_B     K     6_B      8   13   23      4    4    9   13   15   18   22   24   27   33   35   43   47   50   53   57   58   62   66   66 
LCS_GDT     V     7_B     V     7_B      9   13   23      6    7   10   13   15   18   22   24   25   33   39   43   47   50   53   57   59   62   66   66 
LCS_GDT     T     8_B     T     8_B      9   13   23      6    7   10   13   15   18   22   24   25   33   39   43   47   50   53   57   59   62   66   66 
LCS_GDT     V     9_B     V     9_B      9   13   23      6    7   10   13   15   18   22   24   30   33   39   43   47   51   53   57   59   62   66   66 
LCS_GDT     V    10_B     V    10_B      9   13   23      6    7   10   13   15   18   22   24   30   33   39   43   47   50   53   57   59   62   66   66 
LCS_GDT     L    11_B     L    11_B      9   13   23      6    7   10   13   15   18   22   24   30   36   39   43   48   51   53   57   59   62   66   66 
LCS_GDT     Y    12_B     Y    12_B      9   13   23      6    7   10   13   15   18   22   24   30   33   39   43   47   51   53   57   59   62   66   66 
LCS_GDT     V    13_B     V    13_B      9   13   23      4    7   10   12   15   18   22   26   30   36   39   43   48   51   53   57   59   62   66   66 
LCS_GDT     N    14_B     N    14_B      9   13   23      4    6    9   11   15   18   22   26   30   36   39   43   48   51   53   57   59   62   66   66 
LCS_GDT     G    15_B     G    15_B      9   13   23      4    6    9   10   14   17   22   26   30   40   45   46   50   52   55   57   59   62   66   66 
LCS_GDT     D    16_B     D    16_B      7   12   23      3    4    8    9   11   12   13   16   19   23   36   47   52   52   55   57   59   62   66   66 
LCS_GDT     E    17_B     E    17_B      6   12   67      0    3    8    9   11   12   13   16   19   22   37   42   43   51   55   57   58   62   66   66 
LCS_GDT     V    18_B     V    18_B      3    5   67      0    3    3    8    8   11   15   26   29   35   42   46   51   53   55   57   59   62   66   66 
LCS_GDT     A    19_B     A    19_B      3    3   67      3    3    3    3    4   19   28   31   35   38   48   50   54   55   57   59   62   64   66   66 
LCS_GDT     L    20_B     L    20_B      3    3   67      3    3    3    3    8   19   27   29   45   47   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     V    21_B     V    21_B      3    3   67      3    4    4    6   20   23   28   33   45   47   50   54   55   57   59   62   62   64   66   66 
LCS_GDT     H    22_B     H    22_B      3    3   67      3    4    4    6   12   27   30   33   45   47   52   54   55   57   60   62   63   64   65   66 
LCS_GDT     A    23_B     A    23_B      3    3   67      3    4   23   39   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     F    24_B     F    24_B      3    3   67      3    3    4    4    4    4   13   30   39   49   52   54   55   57   60   62   63   64   65   66 
LCS_GDT     M    25_B     M    25_B      3    3   67      3    3    3    3    4    4   22   35   47   50   52   54   55   57   60   62   63   64   65   66 
LCS_GDT     T    26_B     T    26_B      3    7   67      3    3    3    4    5    7   20   34   47   50   52   54   55   57   60   62   63   64   65   66 
LCS_GDT     T    27_B     T    27_B      4    7   67      3    4    4    6    7    8    9   17   31   48   52   53   55   57   60   62   63   64   65   66 
LCS_GDT     A    28_B     A    28_B      4    7   67      3    4    4    6    7    9   10   13   14   15   17   28   39   49   60   62   63   64   65   66 
LCS_GDT     S    29_B     S    29_B      4    7   67      3    4    4    6    7    7    9   13   14   16   29   42   53   57   60   62   63   64   65   66 
LCS_GDT     L    30_B     L    30_B      4    7   67      3    4    4    6    7    9    9   17   23   38   49   53   54   57   60   62   63   64   65   66 
LCS_GDT     L    31_B     L    31_B      4    7   67      3    4    4    6    7    7    8    8   10   11   15   16   19   31   47   61   63   64   65   66 
LCS_GDT     A    32_B     A    32_B      4    9   67      3    4    4    9    9    9   10   13   14   15   17   25   39   55   60   62   63   64   65   66 
LCS_GDT     K    33_B     K    33_B      6    9   67      3    5    6    9    9    9   10   13   14   15   17   25   46   52   59   62   63   64   65   66 
LCS_GDT     E    34_B     E    34_B      6    9   67      3    5    6    9    9    9   10   13   14   29   34   40   51   56   60   62   63   64   65   66 
LCS_GDT     G    35_B     G    35_B      6    9   67      3    5    6    9    9    9   10   17   47   50   52   54   55   57   60   62   63   64   65   66 
LCS_GDT     K    36_B     K    36_B      6    9   67      3    5    6    9   39   42   44   46   47   50   52   54   55   57   60   62   63   64   65   66 
LCS_GDT     L    37_B     L    37_B      6   44   67      3    5    8   26   38   41   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     V    38_B     V    38_B      6   45   67      3    5    6   12   24   36   42   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     E    39_B     E    39_B      7   45   67      5    7   14   16   22   27   36   40   45   48   49   50   52   53   57   61   63   64   66   66 
LCS_GDT     K    40_B     K    40_B      7   45   67      5    8   15   21   26   36   39   44   46   48   49   50   54   56   60   62   63   64   66   66 
LCS_GDT     L    41_B     L    41_B      7   45   67      5   15   20   30   38   41   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     I    42_B     I    42_B      7   45   67      5   10   20   30   38   41   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     L    43_B     L    43_B     41   45   67     14   32   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     T    44_B     T    44_B     41   45   67      4   23   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     S    45_B     S    45_B     41   45   67      3    7   19   31   41   42   44   45   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     N    46_B     N    46_B     41   45   67     21   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     F    47_B     F    47_B     41   45   67     11   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     T    48_B     T    48_B     41   45   67     15   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     E    49_B     E    49_B     41   45   67     15   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     R    50_B     R    50_B     41   45   67     17   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     T    51_B     T    51_B     41   45   67     17   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     V    52_B     V    52_B     41   45   67     22   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     R    53_B     R    53_B     41   45   67     17   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     R    54_B     R    54_B     41   45   67     15   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     A    55_B     A    55_B     41   45   67     22   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     F    56_B     F    56_B     41   45   67     22   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     D    57_B     D    57_B     41   45   67     22   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     L    58_B     L    58_B     41   45   67     22   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     V    59_B     V    59_B     41   45   67     20   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     R    60_B     R    60_B     41   45   67     22   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     E    61_B     E    61_B     41   45   67     22   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     L    62_B     L    62_B     41   45   67     22   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     L    63_B     L    63_B     41   45   67     22   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     P    64_B     P    64_B     41   45   67     15   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     A    65_B     A    65_B     41   45   67     15   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     K    66_B     K    66_B     41   45   67     15   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     A    67_B     A    67_B     41   45   67     22   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     E    68_B     E    68_B     41   45   67     22   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     I    69_B     I    69_B     41   45   67     22   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     I    70_B     I    70_B     41   45   67     22   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     D    71_B     D    71_B     41   45   67     22   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     A    72_B     A    72_B     41   45   67     22   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     L    73_B     L    73_B     41   45   67     22   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     R    74_B     R    74_B     41   45   67     22   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     E    75_B     E    75_B     41   45   67     22   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     E    76_B     E    76_B     41   45   67     22   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     A    77_B     A    77_B     41   45   67     22   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     E    78_B     E    78_B     41   45   67     22   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     K    79_B     K    79_B     41   45   67     22   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     Y    80_B     Y    80_B     41   45   67      7   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     F    81_B     F    81_B     41   45   67     21   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     A    82_B     A    82_B     41   45   67      7   37   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   66   66 
LCS_GDT     E    83_B     E    83_B     41   45   67      6   31   38   40   41   42   44   46   47   50   52   54   55   57   60   62   63   64   65   66 
LCS_AVERAGE  LCS_A:  46.48  (  29.23   36.88   73.33 )

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     22     37     38     40     41     42     44     46     47     50     52     54     55     57     60     62     63     64     66     66 
GDT PERCENT_AT  27.16  45.68  46.91  49.38  50.62  51.85  54.32  56.79  58.02  61.73  64.20  66.67  67.90  70.37  74.07  76.54  77.78  79.01  81.48  81.48
GDT RMS_LOCAL    0.34   0.58   0.61   0.74   0.86   0.96   1.45   1.73   1.78   2.44   2.74   2.94   3.10   3.46   4.09   4.27   4.52   4.48   5.83   4.78
GDT RMS_ALL_AT   8.65   8.62   8.66   8.56   8.64   8.65   8.28   8.30   8.31   8.59   8.62   8.74   8.75   8.90   8.93   9.05   8.92   8.92   8.63   8.88

# Checking swapping
#   possible swapping detected:  E     5_B      E     5_B
#   possible swapping detected:  Y    12_B      Y    12_B
#   possible swapping detected:  E    17_B      E    17_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  D    57_B      D    57_B
#   possible swapping detected:  E    61_B      E    61_B
#   possible swapping detected:  E    68_B      E    68_B
#   possible swapping detected:  D    71_B      D    71_B
#   possible swapping detected:  E    76_B      E    76_B
#   possible swapping detected:  Y    80_B      Y    80_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_B      G     3_B    26.585     0    0.475   0.475    27.905    0.000    0.000
LGA    M     4_B      M     4_B    23.383     0    0.100   0.729    26.091    0.000    0.000
LGA    E     5_B      E     5_B    20.300     0    0.262   0.731    21.352    0.000    0.000
LGA    K     6_B      K     6_B    19.492     0    0.064   0.456    26.576    0.000    0.000
LGA    V     7_B      V     7_B    17.369     0    0.194   1.174    17.540    0.000    0.000
LGA    T     8_B      T     8_B    16.951     0    0.019   0.152    19.515    0.000    0.000
LGA    V     9_B      V     9_B    13.777     0    0.026   0.144    14.639    0.000    0.000
LGA    V    10_B      V    10_B    13.738     0    0.090   0.100    15.953    0.000    0.000
LGA    L    11_B      L    11_B    11.522     0    0.050   1.295    12.160    0.000    0.952
LGA    Y    12_B      Y    12_B    12.338     0    0.062   1.355    13.958    0.000    0.000
LGA    V    13_B      V    13_B    10.522     0    0.075   0.251    10.750    0.357    0.408
LGA    N    14_B      N    14_B    10.971     0    0.138   0.465    14.676    0.000    0.000
LGA    G    15_B      G    15_B     9.305     0    0.406   0.406     9.382    5.238    5.238
LGA    D    16_B      D    16_B     8.886     0    0.577   1.304    12.288    1.548    0.833
LGA    E    17_B      E    17_B     9.865     0    0.606   0.972    15.706    1.071    0.476
LGA    V    18_B      V    18_B     9.864     0    0.625   1.197    11.978    0.357    0.884
LGA    A    19_B      A    19_B     7.730     0    0.635   0.572     7.754   13.214   12.000
LGA    L    20_B      L    20_B     6.448     0    0.600   1.139    11.050   11.905    6.905
LGA    V    21_B      V    21_B     7.563     0    0.595   1.377     8.969   10.119    7.891
LGA    H    22_B      H    22_B     8.015     0    0.563   1.160     9.360    7.500    4.000
LGA    A    23_B      A    23_B     3.491     0    0.589   0.552     4.573   42.143   45.143
LGA    F    24_B      F    24_B     7.966     0    0.563   0.626    13.334    8.690    3.160
LGA    M    25_B      M    25_B     7.770     0    0.572   0.774     9.376    7.857    6.488
LGA    T    26_B      T    26_B     8.106     0    0.580   0.663     9.669    7.381    4.898
LGA    T    27_B      T    27_B     8.346     0    0.363   1.121    10.426    3.095    2.245
LGA    A    28_B      A    28_B    12.380     0    0.241   0.247    14.526    0.000    0.000
LGA    S    29_B      S    29_B    11.616     0    0.201   0.207    14.637    0.000    0.000
LGA    L    30_B      L    30_B     8.876     0    0.262   0.940     9.828    2.143    2.560
LGA    L    31_B      L    31_B    11.958     0    0.156   1.206    16.866    0.000    0.000
LGA    A    32_B      A    32_B    12.535     0    0.596   0.553    14.112    0.357    0.286
LGA    K    33_B      K    33_B    11.777     0    0.276   0.604    17.767    0.000    0.000
LGA    E    34_B      E    34_B     9.929     0    0.416   0.388    15.354    6.190    2.751
LGA    G    35_B      G    35_B     6.833     0    0.211   0.211     7.841   19.524   19.524
LGA    K    36_B      K    36_B     4.004     0    0.262   0.330    12.077   33.214   19.101
LGA    L    37_B      L    37_B     4.353     0    0.096   1.156     9.964   46.905   27.143
LGA    V    38_B      V    38_B     5.109     0    0.020   0.039     8.510   18.095   15.578
LGA    E    39_B      E    39_B     7.587     0    0.615   0.905    13.733   12.143    5.714
LGA    K    40_B      K    40_B     6.687     0    0.101   0.159     9.253   17.381   10.106
LGA    L    41_B      L    41_B     3.803     0    0.035   0.835     4.806   38.810   54.107
LGA    I    42_B      I    42_B     3.930     0    0.012   0.036     7.127   48.452   34.821
LGA    L    43_B      L    43_B     1.132     0    0.062   0.878     4.169   75.119   72.798
LGA    T    44_B      T    44_B     1.863     0    0.341   1.123     6.047   63.452   52.993
LGA    S    45_B      S    45_B     3.475     0    0.674   0.677     6.900   53.810   40.952
LGA    N    46_B      N    46_B     0.570     0    0.271   1.011     4.081   88.214   78.214
LGA    F    47_B      F    47_B     1.258     0    0.048   0.359     3.716   83.690   65.108
LGA    T    48_B      T    48_B     0.895     0    0.071   0.172     1.541   90.476   87.959
LGA    E    49_B      E    49_B     0.750     0    0.032   0.751     5.010   90.476   69.312
LGA    R    50_B      R    50_B     0.450     0    0.022   0.985     4.012   97.619   80.606
LGA    T    51_B      T    51_B     0.564     0    0.059   0.080     0.984   95.238   93.197
LGA    V    52_B      V    52_B     0.314     0    0.034   0.128     0.516  100.000   98.639
LGA    R    53_B      R    53_B     0.284     0    0.022   1.051     5.771  100.000   75.022
LGA    R    54_B      R    54_B     0.464     0    0.039   1.584     6.364  100.000   65.498
LGA    A    55_B      A    55_B     0.425     0    0.024   0.025     0.695   95.238   96.190
LGA    F    56_B      F    56_B     0.423     0    0.067   0.162     0.686   97.619   96.537
LGA    D    57_B      D    57_B     0.365     0    0.066   0.160     0.773   97.619   97.619
LGA    L    58_B      L    58_B     0.540     0    0.043   1.124     3.206   92.857   84.345
LGA    V    59_B      V    59_B     0.550     0    0.017   0.275     1.166   92.857   91.905
LGA    R    60_B      R    60_B     0.545     0    0.015   1.423     6.027   90.476   72.035
LGA    E    61_B      E    61_B     0.695     0    0.024   0.873     3.402   90.476   82.063
LGA    L    62_B      L    62_B     0.795     0    0.024   0.134     1.901   90.476   84.881
LGA    L    63_B      L    63_B     0.437     0    0.087   1.299     2.543   97.619   84.583
LGA    P    64_B      P    64_B     0.587     0    0.056   0.268     0.896   92.857   93.197
LGA    A    65_B      A    65_B     1.024     0    0.091   0.087     1.195   88.214   86.857
LGA    K    66_B      K    66_B     0.812     0    0.017   0.805     4.120   90.476   78.730
LGA    A    67_B      A    67_B     0.797     0    0.037   0.040     0.875   90.476   90.476
LGA    E    68_B      E    68_B     1.121     0    0.017   0.863     4.176   85.952   69.153
LGA    I    69_B      I    69_B     0.580     0    0.062   0.186     0.832   95.238   92.857
LGA    I    70_B      I    70_B     0.328     0    0.022   0.681     1.888   97.619   94.226
LGA    D    71_B      D    71_B     0.615     0    0.022   0.424     2.183   92.857   86.190
LGA    A    72_B      A    72_B     0.901     0    0.019   0.020     0.982   90.476   90.476
LGA    L    73_B      L    73_B     0.534     0    0.008   0.079     0.841   92.857   92.857
LGA    R    74_B      R    74_B     0.653     0    0.058   0.160     1.386   90.476   86.364
LGA    E    75_B      E    75_B     0.728     0    0.088   0.546     1.168   88.214   87.513
LGA    E    76_B      E    76_B     0.810     0    0.075   0.367     1.950   88.214   86.508
LGA    A    77_B      A    77_B     0.624     0    0.012   0.021     0.633   90.476   90.476
LGA    E    78_B      E    78_B     0.758     0    0.064   0.710     3.725   88.214   70.000
LGA    K    79_B      K    79_B     1.280     0    0.068   0.640     2.481   79.286   73.968
LGA    Y    80_B      Y    80_B     1.407     0    0.086   0.122     1.848   81.429   78.571
LGA    F    81_B      F    81_B     1.260     0    0.035   0.152     1.583   79.286   83.939
LGA    A    82_B      A    82_B     1.838     0    0.027   0.029     2.357   68.810   68.000
LGA    E    83_B      E    83_B     2.427     0    0.409   1.221     7.519   54.524   36.878

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       81     324    324  100.00     640    640  100.00                81
SUMMARY(RMSD_GDC):     7.779          7.660                  8.131           49.049   44.456

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   81    4.0     46    1.73    57.099    51.749     2.513

LGA_LOCAL      RMSD:   1.730  Number of atoms:   46  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   8.296  Number of assigned atoms:   81 
Std_ASGN_ATOMS RMSD:   7.779  Standard rmsd on all 81 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.076848 * X  +  -0.832608 * Y  +  -0.548506 * Z  +  32.488380
  Y_new =  -0.319934 * X  +  -0.541633 * Y  +   0.777351 * Z  +   4.838457
  Z_new =  -0.944318 * X  +   0.115748 * Y  +  -0.308003 * Z  +  -6.203498 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.335063  1.235515  2.782120   [DEG:  -76.4935   70.7898  159.4037 ]
ZXZ: -2.527112  1.883890 -1.448832   [DEG: -144.7929  107.9389  -83.0119 ]
 
# END of job
