
#######################################################
#                                                     #
#                        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        2.04     2.04
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78       3_A - 80_A        1.97     2.04
  LCS_AVERAGE:     98.61

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38      31_A - 68_A        0.99     2.56
  LCS_AVERAGE:     43.26

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     37   78   79     21   30   47   56   66   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L     4_A     L     4_A     37   78   79     21   30   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L     5_A     L     5_A     37   78   79     20   30   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C     6_A     C     6_A     37   78   79     21   30   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P     7_A     P     7_A     37   78   79     15   30   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     N     8_A     N     8_A     37   78   79     21   33   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C     9_A     C     9_A     37   78   79     19   30   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    10_A     Q    10_A     37   78   79     19   30   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    11_A     V    11_A     37   78   79     11   30   39   53   62   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    12_A     G    12_A     37   78   79     21   30   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     M    13_A     M    13_A     37   78   79     21   30   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    14_A     R    14_A     37   78   79     21   30   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    15_A     E    15_A     37   78   79     21   30   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    16_A     V    16_A     37   78   79     21   30   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    17_A     E    17_A     37   78   79     15   30   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    18_A     R    18_A     37   78   79      6   26   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    19_A     R    19_A     37   78   79      6   19   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    20_A     G    20_A     37   78   79     12   29   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    21_A     V    21_A     37   78   79     21   31   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    22_A     L    22_A     37   78   79      6   30   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    23_A     I    23_A     37   78   79     21   33   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    24_A     D    24_A     37   78   79     21   31   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    25_A     V    25_A     37   78   79     21   30   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C    26_A     C    26_A     37   78   79     21   30   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    27_A     P    27_A     37   78   79     21   30   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    28_A     Q    28_A     37   78   79     21   30   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C    29_A     C    29_A     37   78   79     21   30   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    30_A     G    30_A     37   78   79     21   30   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    31_A     G    31_A     38   78   79     18   33   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    32_A     V    32_A     38   78   79     21   33   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     W    33_A     W    33_A     38   78   79     21   30   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    34_A     L    34_A     38   78   79     21   30   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    35_A     D    35_A     38   78   79     12   30   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    36_A     K    36_A     38   78   79      8   30   39   50   59   71   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    37_A     G    37_A     38   78   79     19   33   45   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    38_A     E    38_A     38   78   79     19   33   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    39_A     L    39_A     38   78   79     19   33   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    40_A     E    40_A     38   78   79     19   33   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    41_A     K    41_A     38   78   79     19   33   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    42_A     L    42_A     38   78   79     19   33   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    43_A     L    43_A     38   78   79     19   33   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     A    44_A     A    44_A     38   78   79     19   33   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    45_A     E    45_A     38   78   79     19   33   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     A    46_A     A    46_A     38   78   79     19   33   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    47_A     E    47_A     38   78   79     19   33   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    48_A     E    48_A     38   78   79     19   33   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    49_A     V    49_A     38   78   79     19   33   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    50_A     E    50_A     38   78   79     19   33   45   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    51_A     R    51_A     38   78   79     19   31   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    52_A     R    52_A     38   78   79     19   31   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    53_A     Y    53_A     38   78   79     19   33   45   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    54_A     E    54_A     38   78   79     19   33   45   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    55_A     E    55_A     38   78   79     19   33   45   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    56_A     E    56_A     38   78   79     19   33   45   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    57_A     L    57_A     38   78   79     19   33   45   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    58_A     E    58_A     38   78   79     18   33   45   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    59_A     G    59_A     38   78   79     17   33   45   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    60_A     F    60_A     38   78   79     15   33   45   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    61_A     Y    61_A     38   78   79     16   33   45   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    62_A     R    62_A     38   78   79     16   33   45   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    63_A     K    63_A     38   78   79     15   33   45   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    64_A     E    64_A     38   78   79     15   33   43   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    65_A     G    65_A     38   78   79     15   31   41   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    66_A     K    66_A     38   78   79     15   33   45   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    67_A     P    67_A     38   78   79      4   33   45   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    68_A     Y    68_A     38   78   79      4   33   45   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    69_A     K    69_A     35   78   79      3   14   25   42   61   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    70_A     R    70_A     35   78   79     10   19   27   55   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    71_A     K    71_A     35   78   79      8   17   25   53   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    72_A     K    72_A     24   78   79      3    4    7   21   38   51   67   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    73_A     G    73_A     21   78   79      3   27   47   56   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    74_A     F    74_A     21   78   79      4   17   24   40   62   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     M    75_A     M    75_A      7   78   79      4   20   37   55   67   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    76_A     K    76_A      7   78   79      4    8   41   55   66   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    77_A     L    77_A      7   78   79      4    8   41   55   63   73   74   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    78_A     F    78_A      7   78   79      4    6    7   25   39   50   62   73   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    79_A     D    79_A      7   78   79      4    6    7   26   32   50   59   71   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    80_A     L    80_A      7   78   79      4    6    7   26   39   50   67   76   78   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    81_A     F    81_A      7   70   79      3    6    7   11   29   35   59   71   77   79   79   79   79   79   79   79   79   79   79   79 
LCS_AVERAGE  LCS_A:  80.62  (  43.26   98.61  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     33     47     56     67     73     74     76     78     79     79     79     79     79     79     79     79     79     79     79 
GDT PERCENT_AT  26.58  41.77  59.49  70.89  84.81  92.41  93.67  96.20  98.73 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.63   1.03   1.22   1.50   1.67   1.71   1.83   1.97   2.04   2.04   2.04   2.04   2.04   2.04   2.04   2.04   2.04   2.04   2.04
GDT RMS_ALL_AT   5.76   2.48   2.97   2.14   2.08   2.06   2.07   2.05   2.04   2.04   2.04   2.04   2.04   2.04   2.04   2.04   2.04   2.04   2.04   2.04

# 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:  Y    53_A      Y    53_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  E    55_A      E    55_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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     3_A      L     3_A     2.696     0    0.478   1.439     8.720   53.690   32.738
LGA    L     4_A      L     4_A     2.269     0    0.012   1.098     3.275   64.762   62.976
LGA    L     5_A      L     5_A     2.359     4    0.020   0.020     2.435   68.810   34.405
LGA    C     6_A      C     6_A     0.967     0    0.031   0.097     1.536   81.548   84.524
LGA    P     7_A      P     7_A     1.746     0    0.023   0.033     2.281   77.143   72.993
LGA    N     8_A      N     8_A     0.396     0    0.118   0.777     1.375   90.595   89.464
LGA    C     9_A      C     9_A     1.262     0    0.039   0.559     2.250   77.381   75.873
LGA    Q    10_A      Q    10_A     2.190     0    0.117   1.165     5.243   62.976   53.386
LGA    V    11_A      V    11_A     2.863     0    0.073   1.201     4.603   60.952   53.605
LGA    G    12_A      G    12_A     2.342     0    0.017   0.017     2.485   68.810   68.810
LGA    M    13_A      M    13_A     0.997     0    0.014   0.888     2.482   81.548   81.667
LGA    R    14_A      R    14_A     1.157     0    0.115   1.200     5.894   83.690   64.719
LGA    E    15_A      E    15_A     0.606     0    0.024   0.644     3.387   90.476   76.614
LGA    V    16_A      V    16_A     0.576     0    0.021   1.073     2.509   92.857   83.401
LGA    E    17_A      E    17_A     0.923     0    0.044   0.239     3.156   81.786   73.439
LGA    R    18_A      R    18_A     1.747     3    0.049   0.142     3.007   77.143   49.567
LGA    R    19_A      R    19_A     1.823     5    0.048   0.433     3.412   79.405   39.307
LGA    G    20_A      G    20_A     0.831     0    0.076   0.076     1.392   88.214   88.214
LGA    V    21_A      V    21_A     1.336     0    0.025   0.105     2.748   85.952   76.939
LGA    L    22_A      L    22_A     1.444     0    0.075   0.893     4.932   77.143   65.893
LGA    I    23_A      I    23_A     1.385     0    0.021   1.182     3.821   85.952   75.714
LGA    D    24_A      D    24_A     0.842     0    0.048   0.254     2.173   88.214   80.595
LGA    V    25_A      V    25_A     0.731     0    0.026   0.122     1.402   90.476   86.599
LGA    C    26_A      C    26_A     0.855     0    0.056   0.098     1.425   85.952   87.460
LGA    P    27_A      P    27_A     2.013     0    0.018   0.045     2.637   64.881   65.986
LGA    Q    28_A      Q    28_A     2.041     0    0.059   0.182     2.222   68.810   71.058
LGA    C    29_A      C    29_A     1.676     0    0.085   0.190     2.473   70.833   75.873
LGA    G    30_A      G    30_A     2.045     0    0.020   0.020     2.225   68.810   68.810
LGA    G    31_A      G    31_A     1.714     0    0.088   0.088     1.714   75.000   75.000
LGA    V    32_A      V    32_A     1.464     0    0.030   1.067     3.934   75.000   71.088
LGA    W    33_A      W    33_A     1.700     0    0.029   0.426     3.924   77.143   64.898
LGA    L    34_A      L    34_A     1.971     0    0.049   0.747     3.030   64.881   63.988
LGA    D    35_A      D    35_A     2.421     0    0.067   0.158     2.620   62.857   62.857
LGA    K    36_A      K    36_A     3.638     0    0.605   1.004    10.104   42.381   28.677
LGA    G    37_A      G    37_A     1.258     0    0.147   0.147     1.368   81.429   81.429
LGA    E    38_A      E    38_A     1.098     0    0.021   0.900     3.545   85.952   77.302
LGA    L    39_A      L    39_A     0.821     0    0.056   0.063     0.930   90.476   90.476
LGA    E    40_A      E    40_A     0.861     0    0.031   0.802     3.094   90.476   80.053
LGA    K    41_A      K    41_A     1.161     0    0.052   0.168     2.245   81.429   76.720
LGA    L    42_A      L    42_A     0.927     0    0.030   1.342     3.828   90.476   73.631
LGA    L    43_A      L    43_A     0.495     0    0.082   0.095     0.585   95.238   97.619
LGA    A    44_A      A    44_A     0.998     0    0.056   0.070     1.232   85.952   85.048
LGA    E    45_A      E    45_A     1.260     0    0.032   0.624     3.650   83.690   67.725
LGA    A    46_A      A    46_A     0.924     0    0.046   0.052     1.036   88.214   88.667
LGA    E    47_A      E    47_A     0.777     0    0.019   0.435     2.047   90.476   82.698
LGA    E    48_A      E    48_A     1.352     0    0.033   0.782     3.015   81.429   70.582
LGA    V    49_A      V    49_A     1.195     0    0.021   0.045     1.511   85.952   82.789
LGA    E    50_A      E    50_A     0.601     0    0.034   0.615     2.509   90.476   85.820
LGA    R    51_A      R    51_A     1.059     0    0.055   1.024     6.747   83.690   59.264
LGA    R    52_A      R    52_A     1.417     0    0.017   1.389     6.486   81.429   63.896
LGA    Y    53_A      Y    53_A     1.038     0    0.009   1.191     6.199   85.952   66.151
LGA    E    54_A      E    54_A     0.400     0    0.057   0.929     3.944   97.619   85.714
LGA    E    55_A      E    55_A     0.385     0    0.019   0.168     0.991  100.000   94.709
LGA    E    56_A      E    56_A     0.829     0    0.012   0.885     4.061   90.476   69.312
LGA    L    57_A      L    57_A     0.869     0    0.057   0.285     1.081   88.214   89.345
LGA    E    58_A      E    58_A     0.621     0    0.040   0.819     3.132   88.214   79.101
LGA    G    59_A      G    59_A     0.934     0    0.020   0.020     1.579   83.810   83.810
LGA    F    60_A      F    60_A     1.545     0    0.060   1.218     4.638   75.000   64.545
LGA    Y    61_A      Y    61_A     1.564     0    0.018   0.058     1.843   75.000   75.714
LGA    R    62_A      R    62_A     1.458     0    0.027   1.005     4.793   77.143   68.225
LGA    K    63_A      K    63_A     1.975     2    0.059   0.680     4.132   68.810   50.000
LGA    E    64_A      E    64_A     2.382     0    0.019   0.732     3.083   62.857   59.735
LGA    G    65_A      G    65_A     2.550     0    0.080   0.080     2.550   62.857   62.857
LGA    K    66_A      K    66_A     2.083     3    0.008   0.035     2.163   68.810   44.974
LGA    P    67_A      P    67_A     1.954     0    0.079   0.375     2.247   75.000   71.769
LGA    Y    68_A      Y    68_A     1.878     0    0.020   0.076     2.188   70.833   80.992
LGA    K    69_A      K    69_A     3.008     2    0.111   0.512     6.798   59.167   33.810
LGA    R    70_A      R    70_A     2.095     0    0.082   0.877     6.201   64.762   50.476
LGA    K    71_A      K    71_A     2.214     0    0.677   0.942     4.075   66.786   58.519
LGA    K    72_A      K    72_A     4.433     0    0.378   0.663    12.053   41.905   24.127
LGA    G    73_A      G    73_A     2.515     0    0.614   0.614     3.646   53.690   53.690
LGA    F    74_A      F    74_A     3.094     0    0.147   1.042     8.024   57.262   33.030
LGA    M    75_A      M    75_A     2.081     0    0.052   0.761     3.182   66.786   65.000
LGA    K    76_A      K    76_A     2.614     0    0.184   0.886     7.124   59.048   47.566
LGA    L    77_A      L    77_A     2.878     0    0.181   0.748     3.748   55.357   54.583
LGA    F    78_A      F    78_A     4.727     0    0.025   0.063     5.685   31.548   27.749
LGA    D    79_A      D    79_A     5.159     0    0.072   0.149     6.042   26.310   25.119
LGA    L    80_A      L    80_A     4.344     0    0.023   1.300     6.633   34.286   28.512
LGA    F    81_A      F    81_A     5.322     0    0.156   0.152     5.623   25.000   27.186

# 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):     2.042          2.047                  2.770           74.245   66.420

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   82   79    4.0     76    1.83    77.215    87.904     3.930

LGA_LOCAL      RMSD:   1.834  Number of atoms:   76  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.053  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   2.042  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.043047 * X  +   0.951070 * Y  +   0.305962 * Z  + -10.653771
  Y_new =  -0.169019 * X  +   0.294899 * Y  +  -0.940461 * Z  +  -6.223905
  Z_new =  -0.984672 * X  +  -0.092197 * Y  +   0.148055 * Z  +  20.096483 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.820179  1.395485 -0.556960   [DEG: -104.2886   79.9554  -31.9115 ]
ZXZ:  0.314532  1.422195 -1.664156   [DEG:   18.0214   81.4858  -95.3491 ]
 
# END of job
