
#######################################################
#                                                     #
#                        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   82 (  674),  selected   79 , name one
# Molecule2: number of CA atoms   79 (  632),  selected   79 , 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:    65       3_A - 67_A        4.60    22.39
  LCS_AVERAGE:     72.18

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    45      12_A - 56_A        1.96    23.92
  LONGEST_CONTINUOUS_SEGMENT:    45      13_A - 57_A        1.98    23.84
  LCS_AVERAGE:     40.35

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      32_A - 56_A        0.92    24.48
  LCS_AVERAGE:     19.05

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   79
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     L     3_A     L     3_A     14   16   65      4   16   25   32   36   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     L     4_A     L     4_A     14   16   65      6   13   25   30   36   42   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     L     5_A     L     5_A     14   39   65      6   17   25   32   36   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     C     6_A     C     6_A     14   39   65      5   18   25   32   37   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     P     7_A     P     7_A     14   39   65      6   19   25   32   37   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     N     8_A     N     8_A     14   39   65      7   18   25   32   36   43   48   52   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     C     9_A     C     9_A     14   39   65      4   14   25   32   36   42   48   52   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     Q    10_A     Q    10_A     14   39   65      6   17   25   32   36   42   48   52   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     V    11_A     V    11_A     14   40   65      5   13   22   30   36   42   48   52   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     G    12_A     G    12_A     14   45   65      6   17   25   32   36   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     M    13_A     M    13_A     14   45   65     11   19   25   32   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     R    14_A     R    14_A     14   45   65     11   19   31   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     E    15_A     E    15_A     14   45   65     11   19   29   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     V    16_A     V    16_A     14   45   65      8   19   27   33   38   42   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     E    17_A     E    17_A     11   45   65      8   25   31   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     R    18_A     R    18_A     11   45   65      8    9   20   31   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     R    19_A     R    19_A     11   45   65      8    9   12   20   35   42   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     G    20_A     G    20_A     11   45   65      8    9   28   31   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     V    21_A     V    21_A     11   45   65      8   15   31   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     L    22_A     L    22_A     22   45   65      9   25   31   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     I    23_A     I    23_A     22   45   65     11   25   31   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     D    24_A     D    24_A     22   45   65     11   25   31   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     V    25_A     V    25_A     22   45   65     11   19   31   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     C    26_A     C    26_A     22   45   65     11   19   25   32   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     P    27_A     P    27_A     22   45   65     11   19   25   32   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     Q    28_A     Q    28_A     22   45   65      9   19   25   32   37   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     C    29_A     C    29_A     22   45   65      9   19   25   32   36   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     G    30_A     G    30_A     22   45   65      5   19   25   32   36   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     G    31_A     G    31_A     22   45   65     10   19   25   32   37   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     V    32_A     V    32_A     25   45   65     11   19   25   32   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     W    33_A     W    33_A     25   45   65     11   19   31   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     L    34_A     L    34_A     25   45   65     11   25   31   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     D    35_A     D    35_A     25   45   65     10   21   31   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     K    36_A     K    36_A     25   45   65     18   25   31   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     G    37_A     G    37_A     25   45   65     18   25   31   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     E    38_A     E    38_A     25   45   65     10   25   31   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     L    39_A     L    39_A     25   45   65     15   25   31   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     E    40_A     E    40_A     25   45   65     18   25   31   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     K    41_A     K    41_A     25   45   65     18   25   31   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     L    42_A     L    42_A     25   45   65     18   25   31   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     L    43_A     L    43_A     25   45   65     18   25   31   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     A    44_A     A    44_A     25   45   65     18   25   31   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     E    45_A     E    45_A     25   45   65     18   25   31   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     A    46_A     A    46_A     25   45   65     18   25   31   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     E    47_A     E    47_A     25   45   65     18   25   31   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     E    48_A     E    48_A     25   45   65     18   25   31   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     V    49_A     V    49_A     25   45   65     18   25   31   33   38   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     E    50_A     E    50_A     25   45   65     18   25   31   33   38   42   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     R    51_A     R    51_A     25   45   65     18   25   31   33   38   42   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     R    52_A     R    52_A     25   45   65     18   25   31   33   38   42   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     Y    53_A     Y    53_A     25   45   65     18   25   31   33   38   42   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     E    54_A     E    54_A     25   45   65     18   25   31   33   38   42   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     E    55_A     E    55_A     25   45   65     18   25   31   33   38   41   48   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     E    56_A     E    56_A     25   45   65      4   25   31   33   38   41   47   53   55   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     L    57_A     L    57_A      3   45   65      3    3   18   27   32   41   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     E    58_A     E    58_A      3    4   65      3    3   10   15   20   28   35   40   46   50   54   59   60   61   61   61   62   63   63   63 
LCS_GDT     G    59_A     G    59_A      3    4   65      3    6   20   27   34   41   47   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     F    60_A     F    60_A      3    3   65      1    3    3   22   36   43   49   53   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     Y    61_A     Y    61_A      3    3   65      3    3    4   12   31   41   46   50   53   56   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     R    62_A     R    62_A      3    3   65      3    3    4   14   31   43   48   52   56   58   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     K    63_A     K    63_A      3    8   65      3    3    5    7   11   12   13   14   49   57   59   60   60   61   61   61   62   63   63   63 
LCS_GDT     E    64_A     E    64_A      3    8   65      3    3    3    6   11   12   13   14   14   15   47   51   56   59   61   61   62   63   63   63 
LCS_GDT     G    65_A     G    65_A      5    8   65      4    4    5    7   11   12   13   14   14   15   16   17   27   56   59   59   62   63   63   63 
LCS_GDT     K    66_A     K    66_A      5    8   65      4    4    5    7   11   12   13   14   14   15   16   17   17   18   19   19   19   25   39   60 
LCS_GDT     P    67_A     P    67_A      5    8   65      4    4    5    7   11   12   13   14   14   15   16   17   17   18   19   19   24   39   58   61 
LCS_GDT     Y    68_A     Y    68_A      5    8   20      4    4    5    7   11   12   13   14   14   15   16   17   17   18   19   19   19   21   21   22 
LCS_GDT     K    69_A     K    69_A      5    8   20      3    4    5    7   11   12   13   14   14   15   16   17   17   18   19   19   19   21   21   22 
LCS_GDT     R    70_A     R    70_A      5    8   20      3    4    5    6    7   12   13   14   14   15   16   17   17   18   19   19   19   21   21   22 
LCS_GDT     K    71_A     K    71_A      4    8   20      3    3    5    7   10   12   13   14   14   15   16   17   17   18   19   19   19   21   21   22 
LCS_GDT     K    72_A     K    72_A      4    8   20      3    3    4    6   11   12   13   14   14   15   16   17   17   18   19   19   19   21   21   22 
LCS_GDT     G    73_A     G    73_A      3    6   20      3    3    4    6   11   12   13   14   14   15   16   17   17   18   19   19   19   21   21   22 
LCS_GDT     F    74_A     F    74_A      3    6   20      3    3    5    7   11   12   13   14   14   15   16   17   17   18   19   19   19   21   21   22 
LCS_GDT     M    75_A     M    75_A      3    5   20      3    3    5    7   11   12   13   14   14   15   16   17   17   18   19   19   19   21   21   22 
LCS_GDT     K    76_A     K    76_A      4    5   20      3    3    4    4    5    6    7    8   12   13   15   16   17   18   19   19   19   21   21   22 
LCS_GDT     L    77_A     L    77_A      4    5   20      3    3    4    4    5   10   11   14   14   14   16   17   17   18   19   19   19   21   21   22 
LCS_GDT     F    78_A     F    78_A      4    5   20      3    3    4    4    5    8    9   10   13   15   16   17   17   18   19   19   19   21   21   22 
LCS_GDT     D    79_A     D    79_A      4    5   20      3    3    4    4    4    5    7   11   13   15   16   17   17   18   19   19   19   21   21   22 
LCS_GDT     L    80_A     L    80_A      3    4   20      1    3    3    4    5    7   10   11   14   15   16   17   17   18   19   19   19   21   21   22 
LCS_GDT     F    81_A     F    81_A      3    4   20      0    3    3    4    5    6    8    9   10   12   14   16   16   17   17   18   19   20   20   22 
LCS_AVERAGE  LCS_A:  43.86  (  19.05   40.35   72.18 )

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     18     25     31     33     38     43     49     53     56     58     59     60     60     61     61     61     62     63     63     63 
GDT PERCENT_AT  22.78  31.65  39.24  41.77  48.10  54.43  62.03  67.09  70.89  73.42  74.68  75.95  75.95  77.22  77.22  77.22  78.48  79.75  79.75  79.75
GDT RMS_LOCAL    0.35   0.65   0.92   1.01   1.35   2.04   2.19   2.38   2.61   2.71   2.78   2.89   2.89   3.06   3.06   3.06   3.29   3.60   3.60   3.60
GDT RMS_ALL_AT  25.10  24.64  24.44  24.44  24.25  22.90  23.40  23.42  23.05  23.09  23.04  22.94  22.94  22.87  22.87  22.87  22.80  22.68  22.68  22.68

# Checking swapping
#   possible swapping detected:  E    15_A      E    15_A
#   possible swapping detected:  E    17_A      E    17_A
#   possible swapping detected:  D    24_A      D    24_A
#   possible swapping detected:  D    35_A      D    35_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  E    56_A      E    56_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  F    60_A      F    60_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  Y    68_A      Y    68_A
#   possible swapping detected:  F    74_A      F    74_A
#   possible swapping detected:  F    78_A      F    78_A
#   possible swapping detected:  F    81_A      F    81_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     3_A      L     3_A     3.771     0    0.092   0.839     8.202   40.357   28.452
LGA    L     4_A      L     4_A     3.863     0    0.101   0.869     7.575   48.452   37.679
LGA    L     5_A      L     5_A     3.660     4    0.054   0.054     3.788   50.238   25.119
LGA    C     6_A      C     6_A     2.463     0    0.016   0.062     3.690   55.595   56.111
LGA    P     7_A      P     7_A     2.894     0    0.058   0.094     4.366   48.690   57.891
LGA    N     8_A      N     8_A     4.904     0    0.072   0.971     6.648   27.381   28.095
LGA    C     9_A      C     9_A     5.892     0    0.021   0.805     6.645   19.524   23.810
LGA    Q    10_A      Q    10_A     5.714     0    0.223   0.748     6.392   22.619   24.392
LGA    V    11_A      V    11_A     5.302     0    0.088   1.148     5.967   33.214   30.272
LGA    G    12_A      G    12_A     3.363     0    0.020   0.020     4.159   54.167   54.167
LGA    M    13_A      M    13_A     1.228     0    0.048   1.271     4.135   77.143   73.750
LGA    R    14_A      R    14_A     1.780     0    0.033   0.913     3.379   75.000   67.273
LGA    E    15_A      E    15_A     2.403     0    0.036   0.684     3.116   59.167   61.429
LGA    V    16_A      V    16_A     2.973     0    0.189   1.013     5.331   59.048   52.789
LGA    E    17_A      E    17_A     1.151     0    0.122   1.281     4.763   72.976   62.804
LGA    R    18_A      R    18_A     2.302     3    0.023   0.730     2.792   66.786   49.394
LGA    R    19_A      R    19_A     3.046     5    0.039   0.638     4.890   53.571   26.883
LGA    G    20_A      G    20_A     2.448     0    0.028   0.028     2.448   64.762   64.762
LGA    V    21_A      V    21_A     1.396     0    0.071   0.110     1.732   83.810   82.857
LGA    L    22_A      L    22_A     1.345     0    0.057   0.199     2.464   77.143   71.964
LGA    I    23_A      I    23_A     2.242     0    0.155   1.359     3.788   64.881   57.619
LGA    D    24_A      D    24_A     1.475     0    0.109   0.502     2.102   75.000   76.131
LGA    V    25_A      V    25_A     1.651     0    0.089   1.034     3.747   79.286   76.190
LGA    C    26_A      C    26_A     1.704     0    0.020   0.085     2.513   70.833   67.540
LGA    P    27_A      P    27_A     1.748     0    0.034   0.060     2.588   66.905   73.129
LGA    Q    28_A      Q    28_A     3.050     0    0.111   1.036     7.213   51.786   40.317
LGA    C    29_A      C    29_A     4.063     0    0.100   0.128     4.184   40.238   41.349
LGA    G    30_A      G    30_A     3.565     0    0.013   0.013     3.565   46.667   46.667
LGA    G    31_A      G    31_A     2.583     0    0.075   0.075     2.921   60.952   60.952
LGA    V    32_A      V    32_A     2.240     0    0.039   1.076     4.721   68.810   59.116
LGA    W    33_A      W    33_A     1.346     0    0.040   1.524     5.251   77.143   68.333
LGA    L    34_A      L    34_A     1.610     0    0.072   1.109     4.021   77.143   70.536
LGA    D    35_A      D    35_A     1.269     0    0.144   0.572     2.503   81.429   76.250
LGA    K    36_A      K    36_A     2.393     0    0.624   1.102     4.805   56.548   57.778
LGA    G    37_A      G    37_A     1.781     0    0.239   0.239     1.807   75.000   75.000
LGA    E    38_A      E    38_A     1.498     0    0.033   0.851     3.501   75.000   68.995
LGA    L    39_A      L    39_A     1.618     0    0.011   1.279     4.349   75.000   67.500
LGA    E    40_A      E    40_A     1.476     0    0.020   0.928     2.938   79.286   73.968
LGA    K    41_A      K    41_A     1.493     0    0.033   0.803     3.258   79.286   74.180
LGA    L    42_A      L    42_A     1.631     0    0.035   0.120     1.791   77.143   75.000
LGA    L    43_A      L    43_A     1.174     0    0.036   0.259     1.880   85.952   83.750
LGA    A    44_A      A    44_A     0.776     0    0.030   0.029     0.911   90.476   90.476
LGA    E    45_A      E    45_A     0.738     0    0.022   1.056     3.422   90.476   74.868
LGA    A    46_A      A    46_A     1.190     0    0.062   0.061     1.467   83.690   83.238
LGA    E    47_A      E    47_A     1.308     0    0.009   0.798     3.623   79.286   67.354
LGA    E    48_A      E    48_A     1.381     0    0.023   1.148     3.366   81.429   76.984
LGA    V    49_A      V    49_A     1.103     0    0.028   0.104     1.368   81.429   82.721
LGA    E    50_A      E    50_A     1.547     0    0.032   0.545     2.730   72.976   69.365
LGA    R    51_A      R    51_A     2.136     0    0.037   1.337     8.124   64.881   48.182
LGA    R    52_A      R    52_A     1.958     0    0.022   1.671     8.247   70.833   51.732
LGA    Y    53_A      Y    53_A     2.072     0    0.023   0.413     2.661   64.881   68.175
LGA    E    54_A      E    54_A     2.759     0    0.024   1.012     3.654   57.262   58.201
LGA    E    55_A      E    55_A     3.025     0    0.096   0.217     4.079   48.571   55.026
LGA    E    56_A      E    56_A     3.374     0    0.588   0.922     7.104   52.024   38.148
LGA    L    57_A      L    57_A     3.992     0    0.564   0.570     5.397   38.214   35.714
LGA    E    58_A      E    58_A     8.871     0    0.624   1.160    17.951    6.786    3.016
LGA    G    59_A      G    59_A     4.172     0    0.561   0.561     5.515   36.429   36.429
LGA    F    60_A      F    60_A     3.005     0    0.618   0.661     8.129   45.357   27.879
LGA    Y    61_A      Y    61_A     8.264     0    0.649   0.931    20.336    9.524    3.175
LGA    R    62_A      R    62_A     6.017     0    0.625   1.390     9.004   15.238   17.662
LGA    K    63_A      K    63_A     6.434     2    0.673   1.041     9.457   12.143    6.825
LGA    E    64_A      E    64_A    12.249     0    0.714   1.185    17.682    0.000    0.000
LGA    G    65_A      G    65_A    15.177     0    0.614   0.614    16.407    0.000    0.000
LGA    K    66_A      K    66_A    19.968     3    0.066   0.097    23.281    0.000    0.000
LGA    P    67_A      P    67_A    20.589     0    0.126   0.141    24.555    0.000    0.000
LGA    Y    68_A      Y    68_A    26.054     0    0.108   1.341    35.621    0.000    0.000
LGA    K    69_A      K    69_A    30.869     2    0.044   0.551    34.559    0.000    0.000
LGA    R    70_A      R    70_A    36.613     0    0.127   1.364    42.801    0.000    0.000
LGA    K    71_A      K    71_A    40.915     0    0.670   1.199    44.454    0.000    0.000
LGA    K    72_A      K    72_A    43.183     0    0.514   0.861    45.084    0.000    0.000
LGA    G    73_A      G    73_A    45.309     0    0.644   0.644    49.736    0.000    0.000
LGA    F    74_A      F    74_A    51.607     0    0.622   0.718    55.488    0.000    0.000
LGA    M    75_A      M    75_A    54.458     0    0.649   1.116    58.112    0.000    0.000
LGA    K    76_A      K    76_A    57.261     0    0.617   0.897    59.194    0.000    0.000
LGA    L    77_A      L    77_A    61.576     0    0.398   1.516    65.988    0.000    0.000
LGA    F    78_A      F    78_A    66.792     0    0.706   0.824    70.650    0.000    0.000
LGA    D    79_A      D    79_A    69.353     0    0.691   0.724    70.632    0.000    0.000
LGA    L    80_A      L    80_A    72.581     0    0.684   1.026    76.500    0.000    0.000
LGA    F    81_A      F    81_A    75.378     0    0.648   1.039    77.466    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       79     316    316  100.00     632    632  100.00                79
SUMMARY(RMSD_GDC):    19.973         20.133                 21.505           46.276   42.600

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   82   79    4.0     53    2.38    54.430    53.763     2.136

LGA_LOCAL      RMSD:   2.381  Number of atoms:   53  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  23.420  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:  19.973  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.562346 * X  +   0.080008 * Y  +   0.823022 * Z  + -21.077847
  Y_new =  -0.532283 * X  +  -0.796705 * Y  +  -0.286244 * Z  + -24.566748
  Z_new =   0.632804 * X  +  -0.599049 * Y  +   0.490611 * Z  +  22.048859 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.383652 -0.685170 -0.884587   [DEG: -136.5732  -39.2573  -50.6831 ]
ZXZ:  1.236086  1.058005  2.328799   [DEG:   70.8225   60.6192  133.4304 ]
 
# END of job
