
#######################################################
#                                                     #
#                        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:    61       3_A - 63_A        4.48     8.83
  LCS_AVERAGE:     66.93

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    48       3_A - 50_A        1.94     9.95
  LCS_AVERAGE:     41.42

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      22_A - 46_A        0.99    10.06
  LCS_AVERAGE:     17.24

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   48   61      3   15   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     L     4_A     L     4_A     14   48   61      3   15   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     L     5_A     L     5_A     14   48   61      8   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     C     6_A     C     6_A     14   48   61      7   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     P     7_A     P     7_A     14   48   61      7   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     N     8_A     N     8_A     14   48   61      5   18   35   42   44   45   47   48   49   50   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     C     9_A     C     9_A     14   48   61      7   21   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     Q    10_A     Q    10_A     14   48   61      7   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     V    11_A     V    11_A     14   48   61      7   18   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     G    12_A     G    12_A     14   48   61      7   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     M    13_A     M    13_A     14   48   61      7   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     R    14_A     R    14_A     14   48   61      3   19   33   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     E    15_A     E    15_A     14   48   61      7   21   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     V    16_A     V    16_A     14   48   61      3   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     E    17_A     E    17_A     14   48   61      3   19   34   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     R    18_A     R    18_A      3   48   61      3   10   15   35   41   44   45   46   49   50   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     R    19_A     R    19_A      3   48   61      3    3   17   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     G    20_A     G    20_A      4   48   61      3    4    5    9   11   21   27   39   44   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     V    21_A     V    21_A     24   48   61      3   11   26   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     L    22_A     L    22_A     25   48   61      4   23   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     I    23_A     I    23_A     25   48   61      5   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     D    24_A     D    24_A     25   48   61      8   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     V    25_A     V    25_A     25   48   61      8   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     C    26_A     C    26_A     25   48   61      8   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     P    27_A     P    27_A     25   48   61      5   15   35   41   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     Q    28_A     Q    28_A     25   48   61      7   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     C    29_A     C    29_A     25   48   61      6   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     G    30_A     G    30_A     25   48   61      6   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     G    31_A     G    31_A     25   48   61      4   19   33   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     V    32_A     V    32_A     25   48   61      7   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     W    33_A     W    33_A     25   48   61      8   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     L    34_A     L    34_A     25   48   61      5   17   34   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     D    35_A     D    35_A     25   48   61      8   22   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     K    36_A     K    36_A     25   48   61      8   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     G    37_A     G    37_A     25   48   61      8   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     E    38_A     E    38_A     25   48   61      8   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     L    39_A     L    39_A     25   48   61      8   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     E    40_A     E    40_A     25   48   61      8   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     K    41_A     K    41_A     25   48   61      8   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     L    42_A     L    42_A     25   48   61      8   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     L    43_A     L    43_A     25   48   61      8   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     A    44_A     A    44_A     25   48   61      8   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     E    45_A     E    45_A     25   48   61      7   25   35   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     A    46_A     A    46_A     25   48   61      4   13   32   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     E    47_A     E    47_A     24   48   61      3   16   33   42   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     E    48_A     E    48_A     20   48   61      3   14   31   41   44   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     V    49_A     V    49_A      5   48   61      3    7   20   31   42   45   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     E    50_A     E    50_A      5   48   61      3    4    6    9   30   38   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     R    51_A     R    51_A      6   10   61      5    5    6    9   14   17   26   31   38   50   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     R    52_A     R    52_A      6   10   61      5    5    6   11   14   28   37   46   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     Y    53_A     Y    53_A      6   10   61      5    6   16   28   36   43   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     E    54_A     E    54_A      6   10   61      5    5    6   11   14   21   28   36   44   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     E    55_A     E    55_A      6   10   61      5    5    6   11   14   18   21   25   29   40   45   56   57   59   61   62   65   66   66   67 
LCS_GDT     E    56_A     E    56_A      6   10   61      4    4    6    9   12   15   30   34   42   49   52   56   57   59   61   62   65   66   66   67 
LCS_GDT     L    57_A     L    57_A      5   10   61      4    4    5    8   15   35   47   48   49   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     E    58_A     E    58_A      5   10   61      4    4    5    9   14   20   28   36   43   50   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     G    59_A     G    59_A      3    7   61      3    3    4    5    7   10   13   21   26   33   42   50   53   59   61   62   65   66   66   67 
LCS_GDT     F    60_A     F    60_A      3    7   61      3    3    4    6    8   17   30   37   47   51   55   56   57   59   61   62   65   66   66   67 
LCS_GDT     Y    61_A     Y    61_A      3    7   61      3    3    4    5    8   10   12   20   32   40   46   53   56   59   60   62   65   66   66   67 
LCS_GDT     R    62_A     R    62_A      3    4   61      3    3    3    4    5    7    8    8    8   12   19   24   27   42   52   59   65   66   66   67 
LCS_GDT     K    63_A     K    63_A      6   11   61      3    4    7    9   10   11   12   12   14   17   19   24   27   30   37   44   55   58   65   67 
LCS_GDT     E    64_A     E    64_A      6   11   28      3    4    7    9   10   11   12   12   14   17   19   24   27   28   29   30   32   35   39   42 
LCS_GDT     G    65_A     G    65_A      6   11   28      3    4    7    9   10   11   12   12   13   15   19   22   27   28   29   30   30   31   31   35 
LCS_GDT     K    66_A     K    66_A      6   11   28      3    4    5    8   10   11   12   12   13   17   19   24   27   28   29   30   30   33   37   40 
LCS_GDT     P    67_A     P    67_A      6   11   28      3    4    7    9   10   11   12   12   13   17   19   24   27   28   29   30   30   33   37   40 
LCS_GDT     Y    68_A     Y    68_A      6   11   28      3    4    7    9   10   11   12   12   14   17   19   24   27   28   31   35   38   41   42   43 
LCS_GDT     K    69_A     K    69_A      5   11   28      3    4    7    9   10   11   12   12   14   17   19   24   27   30   32   36   38   41   42   43 
LCS_GDT     R    70_A     R    70_A      5   11   28      3    4    5    9   10   11   12   12   14   17   19   25   29   32   36   39   43   45   50   53 
LCS_GDT     K    71_A     K    71_A      4   11   28      3    4    4    5    6   11   12   12   19   21   25   29   32   34   38   43   48   55   60   64 
LCS_GDT     K    72_A     K    72_A      4   11   28      3    4    7    9   10   11   12   12   13   17   19   24   32   33   37   43   48   55   61   66 
LCS_GDT     G    73_A     G    73_A      3   11   28      3    3    4    9   10   11   12   20   22   26   35   36   46   51   57   62   65   66   66   67 
LCS_GDT     F    74_A     F    74_A      3    6   28      3    3    4    5    6    9   10   12   13   17   19   24   33   43   54   61   65   66   66   67 
LCS_GDT     M    75_A     M    75_A      5    7   28      3    4    6    7    7    7    8   10   14   17   25   32   40   44   56   61   65   66   66   67 
LCS_GDT     K    76_A     K    76_A      5    7   28      4    4    6    9   13   18   21   25   28   40   42   49   57   59   61   62   65   66   66   67 
LCS_GDT     L    77_A     L    77_A      5    7   28      4    4    6    7   10   15   18   20   24   29   34   41   44   57   61   62   65   66   66   67 
LCS_GDT     F    78_A     F    78_A      5    7   25      4    4    6   11   14   18   21   25   28   40   43   49   57   59   61   62   65   66   66   67 
LCS_GDT     D    79_A     D    79_A      5    7   13      4    4    6    7   12   16   21   24   26   28   30   32   37   48   56   62   65   66   66   67 
LCS_GDT     L    80_A     L    80_A      5    7   13      3    4    6    7    7    9    9    9    9   10   12   12   13   44   45   49   58   61   63   65 
LCS_GDT     F    81_A     F    81_A      5    7   13      3    3    6    7    7    9    9    9    9   10   24   29   30   30   33   36   40   54   56   62 
LCS_AVERAGE  LCS_A:  41.86  (  17.24   41.42   66.93 )

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      8     25     35     42     44     45     47     48     49     51     55     56     57     59     61     62     65     66     66     67 
GDT PERCENT_AT  10.13  31.65  44.30  53.16  55.70  56.96  59.49  60.76  62.03  64.56  69.62  70.89  72.15  74.68  77.22  78.48  82.28  83.54  83.54  84.81
GDT RMS_LOCAL    0.23   0.76   0.96   1.23   1.29   1.43   1.77   1.90   2.00   2.58   3.00   3.13   3.27   3.57   3.87   4.03   4.48   4.63   4.63   4.86
GDT RMS_ALL_AT   9.81  10.21  10.36  10.05  10.04  10.03   9.92   9.86   9.83   9.56   9.36   9.45   9.44   9.30   9.19   9.13   8.91   8.84   8.84   8.70

# Checking swapping
#   possible swapping detected:  E    15_A      E    15_A
#   possible swapping detected:  E    17_A      E    17_A
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  E    47_A      E    47_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  Y    53_A      Y    53_A
#   possible swapping detected:  E    56_A      E    56_A
#   possible swapping detected:  E    64_A      E    64_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     2.050     0    0.450   1.293     5.299   64.881   54.702
LGA    L     4_A      L     4_A     2.133     0    0.068   0.152     3.015   70.833   65.952
LGA    L     5_A      L     5_A     1.025     4    0.137   0.137     1.646   81.548   40.774
LGA    C     6_A      C     6_A     1.297     0    0.096   0.184     2.721   81.429   75.952
LGA    P     7_A      P     7_A     1.440     0    0.037   0.603     2.289   75.119   75.442
LGA    N     8_A      N     8_A     2.558     0    0.148   0.146     3.833   57.619   53.869
LGA    C     9_A      C     9_A     2.137     0    0.693   0.580     4.283   55.952   61.587
LGA    Q    10_A      Q    10_A     1.761     0    0.184   1.066     3.112   68.929   70.529
LGA    V    11_A      V    11_A     1.884     0    0.075   1.102     3.543   72.857   67.483
LGA    G    12_A      G    12_A     1.153     0    0.072   0.072     1.314   83.690   83.690
LGA    M    13_A      M    13_A     1.064     0    0.088   0.199     2.148   75.119   78.274
LGA    R    14_A      R    14_A     2.167     0    0.117   1.385    10.764   72.976   37.229
LGA    E    15_A      E    15_A     1.804     0    0.110   0.668     3.238   70.833   63.386
LGA    V    16_A      V    16_A     1.327     0    0.615   0.635     4.207   66.190   68.027
LGA    E    17_A      E    17_A     1.765     0    0.254   1.107     5.971   56.786   45.926
LGA    R    18_A      R    18_A     4.900     3    0.625   1.194    11.700   42.262   16.320
LGA    R    19_A      R    19_A     3.354     5    0.225   0.720     7.327   42.024   18.139
LGA    G    20_A      G    20_A     6.060     0    0.044   0.044     6.935   23.452   23.452
LGA    V    21_A      V    21_A     1.998     0    0.049   0.084     2.890   73.214   76.803
LGA    L    22_A      L    22_A     0.674     0    0.069   1.337     4.286   85.952   70.357
LGA    I    23_A      I    23_A     1.280     0    0.227   1.131     2.800   81.548   73.214
LGA    D    24_A      D    24_A     0.787     0    0.181   0.716     1.607   85.952   83.750
LGA    V    25_A      V    25_A     1.226     0    0.113   0.236     1.425   81.429   82.721
LGA    C    26_A      C    26_A     0.935     0    0.271   0.345     1.530   88.333   84.603
LGA    P    27_A      P    27_A     1.859     0    0.111   0.400     3.229   67.262   64.150
LGA    Q    28_A      Q    28_A     1.479     0    0.101   1.173     6.041   83.690   63.915
LGA    C    29_A      C    29_A     0.643     0    0.132   0.822     2.681   90.476   84.921
LGA    G    30_A      G    30_A     0.254     0    0.392   0.392     2.580   84.643   84.643
LGA    G    31_A      G    31_A     1.672     0    0.187   0.187     1.672   77.143   77.143
LGA    V    32_A      V    32_A     1.096     0    0.108   0.093     1.314   85.952   84.014
LGA    W    33_A      W    33_A     0.417     0    0.093   0.169     3.124   90.595   74.184
LGA    L    34_A      L    34_A     1.330     0    0.187   1.406     5.675   75.119   60.476
LGA    D    35_A      D    35_A     0.974     0    0.094   0.813     4.355   88.214   70.595
LGA    K    36_A      K    36_A     0.866     0    0.084   0.876     2.309   90.476   81.746
LGA    G    37_A      G    37_A     0.615     0    0.056   0.056     0.647   92.857   92.857
LGA    E    38_A      E    38_A     1.036     0    0.107   0.350     2.511   88.214   75.238
LGA    L    39_A      L    39_A     0.990     0    0.045   0.089     2.146   90.476   80.714
LGA    E    40_A      E    40_A     0.367     0    0.043   0.071     1.956  100.000   87.831
LGA    K    41_A      K    41_A     1.087     0    0.057   0.245     3.256   83.690   72.487
LGA    L    42_A      L    42_A     1.321     0    0.061   0.204     1.682   81.429   77.143
LGA    L    43_A      L    43_A     0.970     0    0.083   1.417     4.170   88.214   76.250
LGA    A    44_A      A    44_A     0.309     0    0.053   0.057     0.911   95.238   94.286
LGA    E    45_A      E    45_A     1.966     0    0.005   1.196     6.421   69.048   49.101
LGA    A    46_A      A    46_A     2.717     0    0.075   0.074     3.046   57.262   57.238
LGA    E    47_A      E    47_A     2.006     0    0.646   0.792     4.526   56.429   61.111
LGA    E    48_A      E    48_A     0.857     0    0.283   0.969     2.784   85.952   81.799
LGA    V    49_A      V    49_A     2.778     0    0.624   0.651     5.686   46.667   53.333
LGA    E    50_A      E    50_A     4.369     0    0.355   1.387     8.169   27.262   30.317
LGA    R    51_A      R    51_A     8.729     0    0.330   1.280    19.190    5.119    1.861
LGA    R    52_A      R    52_A     6.943     0    0.128   0.947     7.859   15.238   14.113
LGA    Y    53_A      Y    53_A     4.353     0    0.240   0.427     7.009   23.929   45.119
LGA    E    54_A      E    54_A     8.644     0    0.029   0.747    11.088    3.690    1.746
LGA    E    55_A      E    55_A    10.924     0    0.636   1.056    17.950    0.119    0.053
LGA    E    56_A      E    56_A     9.051     0    0.340   0.857    15.775    5.000    2.222
LGA    L    57_A      L    57_A     4.994     0    0.611   0.633     8.787   16.429   32.440
LGA    E    58_A      E    58_A    10.009     0    0.480   0.555    13.115    1.786    0.794
LGA    G    59_A      G    59_A    12.916     0    0.423   0.423    12.916    0.000    0.000
LGA    F    60_A      F    60_A     7.510     0    0.638   1.401    10.224    3.214   26.970
LGA    Y    61_A      Y    61_A    10.987     0    0.574   1.276    13.171    0.714    0.556
LGA    R    62_A      R    62_A    14.556     0    0.063   1.044    19.932    0.000    0.000
LGA    K    63_A      K    63_A    17.562     2    0.383   1.058    20.557    0.000    0.000
LGA    E    64_A      E    64_A    20.962     0    0.748   0.807    24.053    0.000    0.000
LGA    G    65_A      G    65_A    27.090     0    0.469   0.469    28.087    0.000    0.000
LGA    K    66_A      K    66_A    25.152     3    0.298   0.329    25.826    0.000    0.000
LGA    P    67_A      P    67_A    28.177     0    0.111   0.747    31.520    0.000    0.000
LGA    Y    68_A      Y    68_A    23.601     0    0.110   1.218    25.136    0.000    0.000
LGA    K    69_A      K    69_A    25.374     2    0.645   0.666    29.794    0.000    0.000
LGA    R    70_A      R    70_A    20.555     0    0.326   1.824    22.150    0.000    0.000
LGA    K    71_A      K    71_A    19.456     0    0.119   0.734    22.084    0.000    0.000
LGA    K    72_A      K    72_A    17.957     0    0.562   0.763    28.642    0.000    0.000
LGA    G    73_A      G    73_A    12.326     0    0.652   0.652    13.946    0.000    0.000
LGA    F    74_A      F    74_A    12.708     0    0.582   1.217    18.087    0.000    0.000
LGA    M    75_A      M    75_A    12.101     0    0.081   0.760    15.018    0.714    0.357
LGA    K    76_A      K    76_A     9.466     0    0.078   0.120    10.584    1.429    0.899
LGA    L    77_A      L    77_A     8.737     0    0.077   1.422    10.215    2.500    2.262
LGA    F    78_A      F    78_A     9.174     0    0.107   1.103    11.444    0.714    0.519
LGA    D    79_A      D    79_A    11.950     0    0.184   0.815    14.453    0.000    0.000
LGA    L    80_A      L    80_A    11.559     0    0.177   1.134    14.284    0.000    1.369
LGA    F    81_A      F    81_A    12.932     0    0.098   1.643    16.812    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):     8.026          8.038                  8.535           46.023   42.265

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   82   79    4.0     48    1.90    56.013    54.131     2.396

LGA_LOCAL      RMSD:   1.904  Number of atoms:   48  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   9.858  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   8.026  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.552707 * X  +  -0.465310 * Y  +   0.691377 * Z  +  19.970058
  Y_new =  -0.824313 * X  +   0.427259 * Y  +  -0.371426 * Z  + -20.550961
  Z_new =  -0.122569 * X  +  -0.775200 * Y  +  -0.619711 * Z  +  69.355103 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.161452  0.122878 -2.245183   [DEG: -123.8421    7.0404 -128.6395 ]
ZXZ:  1.077812  2.239170 -2.984778   [DEG:   61.7541  128.2950 -171.0152 ]
 
# END of job
