
#######################################################
#                                                     #
#                        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        1.84     1.84
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79       3_A - 81_A        1.84     1.84
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    52       3_A - 54_A        0.98     2.53
  LCS_AVERAGE:     56.83

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     52   79   79     19   35   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L     4_A     L     4_A     52   79   79     21   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L     5_A     L     5_A     52   79   79     21   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C     6_A     C     6_A     52   79   79     21   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P     7_A     P     7_A     52   79   79     16   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     N     8_A     N     8_A     52   79   79     21   37   50   59   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C     9_A     C     9_A     52   79   79     21   37   50   58   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    10_A     Q    10_A     52   79   79     21   37   50   58   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    11_A     V    11_A     52   79   79      9   27   48   58   64   73   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    12_A     G    12_A     52   79   79     21   37   50   59   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     M    13_A     M    13_A     52   79   79     21   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    14_A     R    14_A     52   79   79     21   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    15_A     E    15_A     52   79   79     21   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    16_A     V    16_A     52   79   79     21   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    17_A     E    17_A     52   79   79     21   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    18_A     R    18_A     52   79   79     15   36   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    19_A     R    19_A     52   79   79      7   36   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    20_A     G    20_A     52   79   79      7   36   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    21_A     V    21_A     52   79   79      9   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    22_A     L    22_A     52   79   79      7   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    23_A     I    23_A     52   79   79     21   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    24_A     D    24_A     52   79   79     21   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    25_A     V    25_A     52   79   79     21   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C    26_A     C    26_A     52   79   79     21   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    27_A     P    27_A     52   79   79     21   37   50   58   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    28_A     Q    28_A     52   79   79     21   37   50   58   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C    29_A     C    29_A     52   79   79     21   37   50   58   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    30_A     G    30_A     52   79   79     21   37   50   58   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    31_A     G    31_A     52   79   79      6   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    32_A     V    32_A     52   79   79     21   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     W    33_A     W    33_A     52   79   79     21   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    34_A     L    34_A     52   79   79     21   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    35_A     D    35_A     52   79   79     17   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    36_A     K    36_A     52   79   79     17   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    37_A     G    37_A     52   79   79     21   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    38_A     E    38_A     52   79   79     21   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    39_A     L    39_A     52   79   79     21   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    40_A     E    40_A     52   79   79     21   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    41_A     K    41_A     52   79   79     21   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    42_A     L    42_A     52   79   79     21   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    43_A     L    43_A     52   79   79     21   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     A    44_A     A    44_A     52   79   79     21   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    45_A     E    45_A     52   79   79     21   37   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     A    46_A     A    46_A     52   79   79     21   36   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    47_A     E    47_A     52   79   79     21   36   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    48_A     E    48_A     52   79   79     21   36   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    49_A     V    49_A     52   79   79     21   36   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    50_A     E    50_A     52   79   79     21   36   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    51_A     R    51_A     52   79   79     21   36   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    52_A     R    52_A     52   79   79     21   36   50   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    53_A     Y    53_A     52   79   79     16   36   49   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    54_A     E    54_A     52   79   79     17   36   49   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    55_A     E    55_A     46   79   79     16   36   49   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    56_A     E    56_A     45   79   79     16   30   49   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    57_A     L    57_A     45   79   79     16   30   49   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    58_A     E    58_A     40   79   79     16   31   49   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    59_A     G    59_A     40   79   79     16   30   49   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    60_A     F    60_A     40   79   79     16   30   44   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    61_A     Y    61_A     40   79   79     16   30   47   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    62_A     R    62_A     40   79   79     16   30   47   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    63_A     K    63_A     40   79   79     16   26   40   56   66   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    64_A     E    64_A     40   79   79     16   27   40   56   65   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    65_A     G    65_A     40   79   79     16   28   40   56   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    66_A     K    66_A     40   79   79     16   30   47   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    67_A     P    67_A     40   79   79     16   30   49   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    68_A     Y    68_A     40   79   79      7   30   49   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    69_A     K    69_A     40   79   79      3    6   39   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    70_A     R    70_A     40   79   79      9   22   49   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    71_A     K    71_A     40   79   79      3   19   46   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    72_A     K    72_A     28   79   79      3    5    6   19   57   67   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    73_A     G    73_A     28   79   79      3   20   50   58   64   72   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    74_A     F    74_A     28   79   79     11   23   48   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     M    75_A     M    75_A      9   79   79      4    7   46   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    76_A     K    76_A      9   79   79      4    7   43   58   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    77_A     L    77_A      9   79   79      4   24   46   60   69   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    78_A     F    78_A      9   79   79      3    5   28   45   64   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    79_A     D    79_A      9   79   79      3    6   16   31   62   73   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    80_A     L    80_A      9   79   79      3    6   11   46   62   74   77   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    81_A     F    81_A      9   79   79      3    6   10   18   28   42   53   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_AVERAGE  LCS_A:  85.61  (  56.83  100.00  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     37     50     60     69     74     77     79     79     79     79     79     79     79     79     79     79     79     79     79 
GDT PERCENT_AT  26.58  46.84  63.29  75.95  87.34  93.67  97.47 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.69   0.91   1.28   1.49   1.64   1.73   1.84   1.84   1.84   1.84   1.84   1.84   1.84   1.84   1.84   1.84   1.84   1.84   1.84
GDT RMS_ALL_AT   5.48   3.27   2.72   1.89   1.86   1.84   1.84   1.84   1.84   1.84   1.84   1.84   1.84   1.84   1.84   1.84   1.84   1.84   1.84   1.84

# 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    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:  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     1.453     0    0.454   1.388     7.217   73.214   47.202
LGA    L     4_A      L     4_A     1.118     0    0.036   0.949     3.754   83.690   76.726
LGA    L     5_A      L     5_A     1.604     4    0.029   0.029     1.604   79.286   39.643
LGA    C     6_A      C     6_A     1.265     0    0.031   0.079     1.773   79.286   77.143
LGA    P     7_A      P     7_A     0.813     0    0.031   0.034     1.241   85.952   91.973
LGA    N     8_A      N     8_A     1.865     0    0.174   0.771     3.485   65.357   67.083
LGA    C     9_A      C     9_A     2.543     0    0.029   0.119     2.940   59.048   58.413
LGA    Q    10_A      Q    10_A     2.491     0    0.062   1.246     4.954   60.952   52.857
LGA    V    11_A      V    11_A     3.007     0    0.085   1.159     4.799   59.167   53.605
LGA    G    12_A      G    12_A     1.800     0    0.022   0.022     2.164   70.833   70.833
LGA    M    13_A      M    13_A     1.020     0    0.008   0.953     2.971   85.952   82.917
LGA    R    14_A      R    14_A     0.877     0    0.114   1.278     7.092   88.214   62.468
LGA    E    15_A      E    15_A     0.517     0    0.020   0.754     3.508   95.238   79.048
LGA    V    16_A      V    16_A     0.490     0    0.034   0.046     0.783   95.238   94.558
LGA    E    17_A      E    17_A     0.761     0    0.017   0.430     3.219   92.857   83.069
LGA    R    18_A      R    18_A     0.448     3    0.038   0.179     1.107  100.000   67.619
LGA    R    19_A      R    19_A     0.765     5    0.073   0.412     2.350   88.214   46.190
LGA    G    20_A      G    20_A     1.425     0    0.060   0.060     1.931   81.548   81.548
LGA    V    21_A      V    21_A     1.508     0    0.018   0.150     2.554   81.548   75.578
LGA    L    22_A      L    22_A     1.578     0    0.076   0.917     4.995   72.857   62.857
LGA    I    23_A      I    23_A     1.396     0    0.022   1.166     4.052   83.690   74.881
LGA    D    24_A      D    24_A     0.902     0    0.084   0.346     1.262   85.952   85.952
LGA    V    25_A      V    25_A     1.262     0    0.029   0.076     1.687   81.429   77.755
LGA    C    26_A      C    26_A     1.512     0    0.058   0.080     1.881   75.000   74.286
LGA    P    27_A      P    27_A     2.183     0    0.011   0.040     2.740   64.881   65.986
LGA    Q    28_A      Q    28_A     2.614     0    0.088   0.152     2.721   59.048   59.683
LGA    C    29_A      C    29_A     2.646     0    0.059   0.093     2.762   57.143   61.032
LGA    G    30_A      G    30_A     2.496     0    0.019   0.019     2.496   64.762   64.762
LGA    G    31_A      G    31_A     1.496     0    0.100   0.100     1.783   79.286   79.286
LGA    V    32_A      V    32_A     1.478     0    0.038   1.052     3.948   81.429   73.537
LGA    W    33_A      W    33_A     1.000     0    0.019   0.373     2.445   85.952   81.701
LGA    L    34_A      L    34_A     1.152     0    0.035   0.747     2.447   81.429   79.405
LGA    D    35_A      D    35_A     1.165     0    0.089   1.230     4.912   81.429   69.107
LGA    K    36_A      K    36_A     1.640     0    0.022   0.863     6.485   77.143   60.635
LGA    G    37_A      G    37_A     1.273     0    0.008   0.008     1.341   81.429   81.429
LGA    E    38_A      E    38_A     0.835     0    0.045   0.997     4.392   88.214   75.344
LGA    L    39_A      L    39_A     1.127     0    0.047   0.056     1.361   81.429   81.429
LGA    E    40_A      E    40_A     1.248     0    0.019   0.146     1.406   81.429   81.429
LGA    K    41_A      K    41_A     1.162     0    0.046   0.153     1.301   81.429   81.429
LGA    L    42_A      L    42_A     1.117     0    0.016   1.355     3.818   81.429   69.702
LGA    L    43_A      L    43_A     1.204     0    0.066   0.100     1.312   81.429   81.429
LGA    A    44_A      A    44_A     1.257     0    0.041   0.055     1.269   81.429   81.429
LGA    E    45_A      E    45_A     1.285     0    0.020   0.945     3.067   81.429   72.593
LGA    A    46_A      A    46_A     1.235     0    0.043   0.051     1.378   81.429   81.429
LGA    E    47_A      E    47_A     1.085     0    0.025   0.272     1.660   81.429   80.476
LGA    E    48_A      E    48_A     1.181     0    0.028   0.890     3.377   81.429   73.386
LGA    V    49_A      V    49_A     1.155     0    0.013   0.044     1.224   81.429   81.429
LGA    E    50_A      E    50_A     1.132     0    0.058   0.472     1.837   83.690   84.550
LGA    R    51_A      R    51_A     0.975     0    0.055   1.041     5.289   88.214   71.082
LGA    R    52_A      R    52_A     1.009     0    0.011   1.350     6.256   85.952   68.874
LGA    Y    53_A      Y    53_A     1.175     0    0.007   1.183     6.576   81.429   62.063
LGA    E    54_A      E    54_A     0.841     0    0.082   0.862     4.800   90.476   74.709
LGA    E    55_A      E    55_A     0.483     0    0.014   0.128     0.807   92.857   91.534
LGA    E    56_A      E    56_A     1.225     0    0.020   0.201     3.171   83.690   72.487
LGA    L    57_A      L    57_A     1.265     0    0.075   0.066     1.884   81.429   78.214
LGA    E    58_A      E    58_A     0.828     0    0.046   0.214     1.478   85.952   90.582
LGA    G    59_A      G    59_A     1.662     0    0.012   0.012     2.223   72.976   72.976
LGA    F    60_A      F    60_A     2.137     0    0.077   1.219     5.715   66.786   51.126
LGA    Y    61_A      Y    61_A     1.853     0    0.024   0.142     2.169   70.833   75.040
LGA    R    62_A      R    62_A     2.073     0    0.029   0.757     3.495   64.881   60.000
LGA    K    63_A      K    63_A     2.916     2    0.063   0.690     5.524   55.476   38.942
LGA    E    64_A      E    64_A     3.049     0    0.023   0.529     3.299   53.571   53.968
LGA    G    65_A      G    65_A     2.773     0    0.076   0.076     2.785   60.952   60.952
LGA    K    66_A      K    66_A     2.096     3    0.014   0.036     2.282   68.810   44.974
LGA    P    67_A      P    67_A     1.719     0    0.101   0.395     2.485   75.000   71.769
LGA    Y    68_A      Y    68_A     1.673     0    0.021   0.137     2.032   70.833   75.794
LGA    K    69_A      K    69_A     1.980     2    0.109   0.524     5.179   77.143   47.037
LGA    R    70_A      R    70_A     1.162     0    0.081   1.307     7.529   81.429   57.273
LGA    K    71_A      K    71_A     1.815     0    0.672   0.971     4.181   70.833   58.783
LGA    K    72_A      K    72_A     3.647     0    0.406   0.622    10.107   52.143   33.069
LGA    G    73_A      G    73_A     3.467     0    0.577   0.577     3.661   48.333   48.333
LGA    F    74_A      F    74_A     1.988     0    0.088   1.251     6.834   70.833   48.528
LGA    M    75_A      M    75_A     2.031     0    0.055   0.627     2.909   66.786   64.821
LGA    K    76_A      K    76_A     2.452     0    0.147   0.593     6.210   66.786   50.529
LGA    L    77_A      L    77_A     1.882     0    0.101   0.327     2.151   68.810   71.905
LGA    F    78_A      F    78_A     2.793     0    0.161   0.163     3.818   53.810   48.961
LGA    D    79_A      D    79_A     3.276     0    0.025   0.196     4.271   50.119   49.345
LGA    L    80_A      L    80_A     2.929     0    0.021   1.141     6.727   48.690   41.726
LGA    F    81_A      F    81_A     4.493     0    0.192   0.180     5.256   33.214   37.403

# 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):     1.835          1.842                  2.459           75.255   67.843

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   82   79    4.0     79    1.84    80.696    90.012     4.082

LGA_LOCAL      RMSD:   1.835  Number of atoms:   79  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.835  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   1.835  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.604103 * X  +  -0.523592 * Y  +   0.600759 * Z  + -11.632511
  Y_new =   0.777175 * X  +   0.553802 * Y  +  -0.298836 * Z  +  -7.938410
  Z_new =  -0.176234 * X  +   0.647422 * Y  +   0.741476 * Z  +  19.314310 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.910047  0.177159  0.717783   [DEG:   52.1418   10.1504   41.1259 ]
ZXZ:  1.109207  0.735529 -0.265769   [DEG:   63.5529   42.1427  -15.2274 ]
 
# END of job
