
#######################################################
#                                                     #
#                        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:    79       3_A - 81_A        2.41     2.41
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62      14_A - 75_A        1.99     2.65
  LCS_AVERAGE:     77.17

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40       3_A - 42_A        0.99     5.90
  LONGEST_CONTINUOUS_SEGMENT:    40       4_A - 43_A        0.98     5.65
  LCS_AVERAGE:     45.22

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     40   60   79      4   24   30   41   48   57   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L     4_A     L     4_A     40   60   79     21   29   40   46   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L     5_A     L     5_A     40   60   79     21   29   40   46   58   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C     6_A     C     6_A     40   60   79     21   29   40   46   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P     7_A     P     7_A     40   60   79      9   29   40   46   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     N     8_A     N     8_A     40   60   79     21   29   40   46   52   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C     9_A     C     9_A     40   60   79     21   29   40   46   51   59   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    10_A     Q    10_A     40   60   79     21   29   40   46   51   63   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    11_A     V    11_A     40   60   79     11   29   40   46   51   58   71   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    12_A     G    12_A     40   60   79     21   29   40   46   51   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     M    13_A     M    13_A     40   60   79     21   29   40   46   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    14_A     R    14_A     40   62   79     21   29   40   46   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    15_A     E    15_A     40   62   79     21   29   40   46   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    16_A     V    16_A     40   62   79     21   29   40   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    17_A     E    17_A     40   62   79     21   29   40   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    18_A     R    18_A     40   62   79      9   29   40   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    19_A     R    19_A     40   62   79      7   29   40   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    20_A     G    20_A     40   62   79      7   29   40   47   59   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    21_A     V    21_A     40   62   79     21   29   40   47   57   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    22_A     L    22_A     40   62   79     21   29   40   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    23_A     I    23_A     40   62   79     21   29   40   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    24_A     D    24_A     40   62   79     21   29   40   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    25_A     V    25_A     40   62   79     21   29   40   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C    26_A     C    26_A     40   62   79     21   29   40   46   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    27_A     P    27_A     40   62   79     21   29   40   46   51   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    28_A     Q    28_A     40   62   79     21   29   40   46   51   59   70   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C    29_A     C    29_A     40   62   79     21   29   40   46   51   59   70   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    30_A     G    30_A     40   62   79     21   29   40   46   51   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    31_A     G    31_A     40   62   79      4   29   40   46   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    32_A     V    32_A     40   62   79     21   29   40   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     W    33_A     W    33_A     40   62   79     21   29   40   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    34_A     L    34_A     40   62   79     21   29   40   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    35_A     D    35_A     40   62   79     10   26   40   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    36_A     K    36_A     40   62   79     10   29   40   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    37_A     G    37_A     40   62   79     10   26   40   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    38_A     E    38_A     40   62   79     10   27   40   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    39_A     L    39_A     40   62   79     10   29   40   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    40_A     E    40_A     40   62   79     13   28   40   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    41_A     K    41_A     40   62   79     13   28   40   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    42_A     L    42_A     40   62   79     13   28   40   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    43_A     L    43_A     40   62   79     13   28   40   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     A    44_A     A    44_A     38   62   79     13   28   40   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    45_A     E    45_A     38   62   79     13   28   40   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     A    46_A     A    46_A     38   62   79     13   28   40   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    47_A     E    47_A     38   62   79     13   28   38   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    48_A     E    48_A     38   62   79     17   28   38   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    49_A     V    49_A     38   62   79     13   28   40   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    50_A     E    50_A     38   62   79     17   28   38   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    51_A     R    51_A     38   62   79     17   28   38   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    52_A     R    52_A     38   62   79     14   27   38   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    53_A     Y    53_A     38   62   79     17   28   38   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    54_A     E    54_A     38   62   79     17   28   38   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    55_A     E    55_A     38   62   79     17   28   38   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    56_A     E    56_A     38   62   79     17   28   38   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    57_A     L    57_A     38   62   79     17   28   38   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    58_A     E    58_A     38   62   79     17   28   38   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    59_A     G    59_A     38   62   79     17   28   38   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    60_A     F    60_A     38   62   79     17   28   38   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    61_A     Y    61_A     38   62   79     17   28   38   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    62_A     R    62_A     38   62   79     17   28   38   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    63_A     K    63_A     38   62   79     17   28   38   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    64_A     E    64_A     38   62   79     17   28   38   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    65_A     G    65_A     38   62   79     17   27   38   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    66_A     K    66_A     38   62   79     17   28   38   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    67_A     P    67_A     38   62   79      5   28   38   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    68_A     Y    68_A     38   62   79      5   28   38   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    69_A     K    69_A     38   62   79      3   18   38   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    70_A     R    70_A     38   62   79      8   15   27   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    71_A     K    71_A     31   62   79      3   13   21   27   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    72_A     K    72_A     23   62   79      3    5   10   25   29   58   70   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    73_A     G    73_A     22   62   79      3   13   21   26   39   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    74_A     F    74_A     22   62   79      4    5   22   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     M    75_A     M    75_A     22   62   79      8   18   28   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    76_A     K    76_A      6   52   79      4    6   11   43   57   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    77_A     L    77_A      6   52   79      4   27   38   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    78_A     F    78_A      6   52   79      3    6   26   48   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    79_A     D    79_A      6   52   79      3    6   10   14   36   47   64   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    80_A     L    80_A      6   52   79      3    6   10   13   20   41   59   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    81_A     F    81_A      6   52   79      3    6    9   13   14   29   38   70   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_AVERAGE  LCS_A:  74.13  (  45.22   77.17  100.00 )

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     21     29     40     48     60     67     72     76     79     79     79     79     79     79     79     79     79     79     79     79 
GDT PERCENT_AT  26.58  36.71  50.63  60.76  75.95  84.81  91.14  96.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.49   0.98   1.29   1.75   1.97   2.14   2.27   2.41   2.41   2.41   2.41   2.41   2.41   2.41   2.41   2.41   2.41   2.41   2.41
GDT RMS_ALL_AT   8.37   7.91   5.65   3.14   2.59   2.49   2.43   2.43   2.41   2.41   2.41   2.41   2.41   2.41   2.41   2.41   2.41   2.41   2.41   2.41

# 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    45_A      E    45_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  E    55_A      E    55_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:  E    64_A      E    64_A
#   possible swapping detected:  Y    68_A      Y    68_A
#   possible swapping detected:  F    74_A      F    74_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     3_A      L     3_A     3.588     0    0.509   1.408     8.976   43.690   26.726
LGA    L     4_A      L     4_A     2.002     0    0.045   1.258     4.226   68.810   62.440
LGA    L     5_A      L     5_A     2.380     4    0.050   0.050     2.380   68.810   34.405
LGA    C     6_A      C     6_A     1.701     0    0.013   0.080     2.302   70.833   68.810
LGA    P     7_A      P     7_A     1.379     0    0.013   0.057     2.009   75.119   81.701
LGA    N     8_A      N     8_A     2.716     0    0.090   0.743     4.132   54.286   54.821
LGA    C     9_A      C     9_A     3.669     0    0.072   0.102     4.117   43.452   43.413
LGA    Q    10_A      Q    10_A     3.443     0    0.010   1.092     5.338   46.667   40.212
LGA    V    11_A      V    11_A     3.867     0    0.015   0.053     4.743   48.452   43.673
LGA    G    12_A      G    12_A     2.816     0    0.022   0.022     3.239   59.167   59.167
LGA    M    13_A      M    13_A     1.251     0    0.017   0.799     2.670   77.143   80.833
LGA    R    14_A      R    14_A     1.032     0    0.039   1.211     5.485   85.952   67.965
LGA    E    15_A      E    15_A     0.659     0    0.003   0.777     1.708   90.476   86.508
LGA    V    16_A      V    16_A     0.967     0    0.038   0.046     1.358   85.952   86.599
LGA    E    17_A      E    17_A     1.731     0    0.014   0.203     2.519   75.000   69.365
LGA    R    18_A      R    18_A     1.990     3    0.029   0.743     2.996   68.810   49.351
LGA    R    19_A      R    19_A     2.279     5    0.013   0.377     2.542   62.857   34.632
LGA    G    20_A      G    20_A     2.625     0    0.093   0.093     2.822   59.048   59.048
LGA    V    21_A      V    21_A     2.991     0    0.020   0.055     3.586   59.048   54.218
LGA    L    22_A      L    22_A     2.415     0    0.016   0.810     4.408   62.857   57.500
LGA    I    23_A      I    23_A     1.868     0    0.056   1.113     4.162   77.143   68.571
LGA    D    24_A      D    24_A     0.725     0    0.039   0.235     1.255   85.952   85.952
LGA    V    25_A      V    25_A     1.172     0    0.073   0.116     1.804   83.690   80.272
LGA    C    26_A      C    26_A     2.018     0    0.022   0.023     2.616   64.881   63.571
LGA    P    27_A      P    27_A     2.989     0    0.030   0.053     3.931   50.238   53.265
LGA    Q    28_A      Q    28_A     3.883     0    0.053   0.808     4.821   41.786   40.053
LGA    C    29_A      C    29_A     3.738     0    0.026   0.047     3.908   43.333   46.746
LGA    G    30_A      G    30_A     3.152     0    0.065   0.065     3.180   53.571   53.571
LGA    G    31_A      G    31_A     2.196     0    0.064   0.064     2.452   66.786   66.786
LGA    V    32_A      V    32_A     1.981     0    0.043   1.085     4.315   68.810   63.129
LGA    W    33_A      W    33_A     1.417     0    0.049   0.420     2.411   77.143   79.184
LGA    L    34_A      L    34_A     1.708     0    0.114   0.579     2.588   72.857   70.952
LGA    D    35_A      D    35_A     1.845     0    0.059   0.195     2.016   70.833   72.917
LGA    K    36_A      K    36_A     2.156     0    0.008   0.902     6.907   64.762   52.910
LGA    G    37_A      G    37_A     2.035     0    0.009   0.009     2.106   66.786   66.786
LGA    E    38_A      E    38_A     1.977     0    0.008   0.924     2.954   68.810   68.413
LGA    L    39_A      L    39_A     2.116     0    0.020   0.064     2.143   64.762   64.762
LGA    E    40_A      E    40_A     1.925     0    0.028   0.583     2.729   68.810   69.312
LGA    K    41_A      K    41_A     2.244     0    0.032   0.215     3.316   64.762   61.429
LGA    L    42_A      L    42_A     2.435     0    0.012   1.357     5.560   64.762   53.214
LGA    L    43_A      L    43_A     2.022     0    0.019   0.104     2.196   68.810   70.833
LGA    A    44_A      A    44_A     1.989     0    0.035   0.036     2.137   68.810   68.000
LGA    E    45_A      E    45_A     2.508     0    0.017   0.831     2.862   62.857   61.376
LGA    A    46_A      A    46_A     2.174     0    0.026   0.026     2.336   68.810   68.000
LGA    E    47_A      E    47_A     1.496     0    0.016   0.285     2.089   77.143   74.815
LGA    E    48_A      E    48_A     2.046     0    0.022   1.174     4.598   66.786   52.751
LGA    V    49_A      V    49_A     2.188     0    0.006   0.020     2.583   68.810   65.986
LGA    E    50_A      E    50_A     1.533     0    0.005   0.595     2.130   77.143   78.677
LGA    R    51_A      R    51_A     1.363     0    0.033   1.275     7.318   81.429   54.848
LGA    R    52_A      R    52_A     1.811     0    0.027   1.304     7.119   72.857   56.190
LGA    Y    53_A      Y    53_A     1.438     0    0.021   0.787     2.443   81.548   77.262
LGA    E    54_A      E    54_A     0.770     0    0.045   0.865     4.482   95.238   79.259
LGA    E    55_A      E    55_A     0.649     0    0.008   0.112     1.117   90.476   89.471
LGA    E    56_A      E    56_A     0.809     0    0.003   0.196     2.038   90.476   81.693
LGA    L    57_A      L    57_A     1.105     0    0.039   0.068     1.772   83.690   79.345
LGA    E    58_A      E    58_A     1.077     0    0.013   0.612     2.738   81.548   75.926
LGA    G    59_A      G    59_A     1.016     0    0.004   0.004     1.431   83.690   83.690
LGA    F    60_A      F    60_A     1.605     0    0.023   1.230     5.257   72.976   56.883
LGA    Y    61_A      Y    61_A     2.066     0    0.014   0.125     2.443   66.786   65.437
LGA    R    62_A      R    62_A     2.068     0    0.024   1.256     5.673   64.881   59.004
LGA    K    63_A      K    63_A     2.284     2    0.068   0.660     4.161   60.952   46.508
LGA    E    64_A      E    64_A     2.877     0    0.041   0.466     3.456   53.571   54.762
LGA    G    65_A      G    65_A     2.976     0    0.055   0.055     2.976   57.143   57.143
LGA    K    66_A      K    66_A     2.544     3    0.015   0.036     2.746   60.952   39.788
LGA    P    67_A      P    67_A     2.071     0    0.016   0.343     2.950   68.810   66.054
LGA    Y    68_A      Y    68_A     2.071     0    0.008   0.070     2.366   64.762   73.016
LGA    K    69_A      K    69_A     2.940     2    0.036   0.569     5.957   60.952   37.196
LGA    R    70_A      R    70_A     2.259     0    0.038   1.300     8.476   64.762   46.407
LGA    K    71_A      K    71_A     2.534     0    0.652   0.901     6.238   69.762   48.413
LGA    K    72_A      K    72_A     3.797     0    0.067   0.673     8.360   46.667   33.810
LGA    G    73_A      G    73_A     2.878     0    0.194   0.194     3.118   65.357   65.357
LGA    F    74_A      F    74_A     1.713     0    0.104   1.384     3.999   79.762   68.442
LGA    M    75_A      M    75_A     1.749     0    0.160   0.878     5.151   70.833   58.393
LGA    K    76_A      K    76_A     3.263     0    0.148   0.365     7.715   50.119   34.868
LGA    L    77_A      L    77_A     2.753     0    0.063   0.246     3.394   55.357   54.464
LGA    F    78_A      F    78_A     2.228     0    0.094   0.414     6.633   59.167   41.602
LGA    D    79_A      D    79_A     4.644     0    0.022   0.335     6.681   32.500   26.548
LGA    L    80_A      L    80_A     4.906     0    0.104   0.988     5.821   29.048   30.417
LGA    F    81_A      F    81_A     5.271     0    0.145   0.360     6.554   22.024   37.446

# 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):     2.409          2.422                  2.874           66.129   60.294

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   82   79    4.0     76    2.27    73.418    79.640     3.203

LGA_LOCAL      RMSD:   2.273  Number of atoms:   76  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.429  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   2.409  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.563838 * X  +  -0.082646 * Y  +  -0.821739 * Z  + -12.086954
  Y_new =  -0.292251 * X  +   0.950568 * Y  +   0.104926 * Z  +  -8.745782
  Z_new =   0.772448 * X  +   0.299316 * Y  +  -0.560120 * Z  +  19.919252 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.663393 -0.882686  2.650823   [DEG: -152.6012  -50.5742  151.8810 ]
ZXZ: -1.697797  2.165327  1.201121   [DEG:  -97.2766  124.0641   68.8191 ]
 
# END of job
