
#######################################################
#                                                     #
#                        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:    73       3_A - 75_A        4.99     6.15
  LONGEST_CONTINUOUS_SEGMENT:    73       4_A - 76_A        5.00     6.11
  LCS_AVERAGE:     91.52

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40      28_A - 67_A        1.99     6.80
  LONGEST_CONTINUOUS_SEGMENT:    40      29_A - 68_A        1.80     6.83
  LONGEST_CONTINUOUS_SEGMENT:    40      31_A - 70_A        2.00     7.11
  LCS_AVERAGE:     44.80

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      31_A - 63_A        0.96     7.17
  LONGEST_CONTINUOUS_SEGMENT:    33      32_A - 64_A        1.00     7.10
  LCS_AVERAGE:     29.90

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      3   36   73      0    4    4    4    4    4    4   28   34   35   40   40   42   55   57   62   63   69   70   71 
LCS_GDT     L     4_A     L     4_A     19   37   73     11   20   29   31   34   36   37   39   44   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     L     5_A     L     5_A     19   37   73     11   20   29   31   34   36   37   39   41   50   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     C     6_A     C     6_A     19   37   73     11   20   29   31   34   36   38   45   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     P     7_A     P     7_A     19   37   73     11   20   29   31   34   36   37   39   40   42   53   61   63   66   67   70   71   73   74   75 
LCS_GDT     N     8_A     N     8_A     19   37   73     11   19   29   31   34   36   37   39   40   42   54   61   63   66   67   70   71   73   74   75 
LCS_GDT     C     9_A     C     9_A     19   37   73     11   20   29   31   34   36   37   39   44   51   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     Q    10_A     Q    10_A     19   37   73     11   20   29   31   34   36   37   39   40   42   45   51   60   66   67   70   71   73   74   75 
LCS_GDT     V    11_A     V    11_A     23   37   73     11   20   29   31   34   36   37   39   40   50   56   60   63   66   67   70   71   73   74   75 
LCS_GDT     G    12_A     G    12_A     23   37   73     11   20   29   31   34   36   37   39   40   44   55   60   63   66   67   70   71   73   74   75 
LCS_GDT     M    13_A     M    13_A     23   37   73     11   20   29   31   34   36   37   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     R    14_A     R    14_A     23   37   73     11   20   29   31   34   36   37   39   41   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     E    15_A     E    15_A     23   37   73     10   20   29   31   34   36   37   39   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     V    16_A     V    16_A     23   37   73     10   20   29   31   34   36   37   39   40   42   45   57   63   66   67   70   71   73   74   75 
LCS_GDT     E    17_A     E    17_A     23   37   73      8   20   29   31   34   36   37   38   40   42   44   55   63   66   67   70   71   73   74   75 
LCS_GDT     R    18_A     R    18_A     23   37   73      7   13   29   31   34   36   37   38   40   42   44   45   49   53   66   70   71   73   74   75 
LCS_GDT     R    19_A     R    19_A     23   37   73      7    9   15   31   34   36   37   38   40   42   44   44   48   51   54   57   66   73   74   75 
LCS_GDT     G    20_A     G    20_A     23   37   73      7   12   29   31   34   36   37   38   40   42   44   45   49   57   66   70   71   73   74   75 
LCS_GDT     V    21_A     V    21_A     23   37   73      8   20   29   31   34   36   37   38   40   42   45   57   63   66   67   70   71   73   74   75 
LCS_GDT     L    22_A     L    22_A     23   37   73      8   20   29   31   34   36   43   46   49   53   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     I    23_A     I    23_A     23   37   73     10   20   29   31   34   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     D    24_A     D    24_A     23   37   73     11   20   29   31   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     V    25_A     V    25_A     23   37   73     10   20   29   31   34   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     C    26_A     C    26_A     23   37   73     10   20   29   31   34   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     P    27_A     P    27_A     23   37   73      6   20   29   31   34   36   37   39   48   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     Q    28_A     Q    28_A     23   40   73      6   19   29   31   34   36   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     C    29_A     C    29_A     23   40   73      6   18   29   31   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     G    30_A     G    30_A     23   40   73     10   20   29   31   34   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     G    31_A     G    31_A     33   40   73     10   20   29   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     V    32_A     V    32_A     33   40   73     10   20   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     W    33_A     W    33_A     33   40   73     15   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     L    34_A     L    34_A     33   40   73     19   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     D    35_A     D    35_A     33   40   73      6   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     K    36_A     K    36_A     33   40   73     15   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     G    37_A     G    37_A     33   40   73     19   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     E    38_A     E    38_A     33   40   73     19   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     L    39_A     L    39_A     33   40   73     19   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     E    40_A     E    40_A     33   40   73     19   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     K    41_A     K    41_A     33   40   73     19   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     L    42_A     L    42_A     33   40   73     19   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     L    43_A     L    43_A     33   40   73     19   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     A    44_A     A    44_A     33   40   73     19   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     E    45_A     E    45_A     33   40   73     19   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     A    46_A     A    46_A     33   40   73     19   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     E    47_A     E    47_A     33   40   73     19   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     E    48_A     E    48_A     33   40   73     19   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     V    49_A     V    49_A     33   40   73     19   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     E    50_A     E    50_A     33   40   73     19   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     R    51_A     R    51_A     33   40   73     19   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     R    52_A     R    52_A     33   40   73     19   26   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     Y    53_A     Y    53_A     33   40   73     19   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     E    54_A     E    54_A     33   40   73     19   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     E    55_A     E    55_A     33   40   73     16   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     E    56_A     E    56_A     33   40   73     10   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     L    57_A     L    57_A     33   40   73     16   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     E    58_A     E    58_A     33   40   73     10   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     G    59_A     G    59_A     33   40   73     10   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     F    60_A     F    60_A     33   40   73     10   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     Y    61_A     Y    61_A     33   40   73     10   27   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     R    62_A     R    62_A     33   40   73     10   24   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     K    63_A     K    63_A     33   40   73     10   18   31   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     E    64_A     E    64_A     33   40   73      3   13   25   34   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     G    65_A     G    65_A     19   40   73      3    6   23   31   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     K    66_A     K    66_A      6   40   73      3    8   23   32   38   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     P    67_A     P    67_A      6   40   73      3    7   23   29   35   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     Y    68_A     Y    68_A      6   40   73      3    8   23   29   37   41   44   46   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     K    69_A     K    69_A      4   40   73      3    4    8   15   32   38   40   43   47   53   59   61   63   65   67   70   71   73   74   75 
LCS_GDT     R    70_A     R    70_A      4   40   73      3    6   10   20   35   38   40   43   47   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     K    71_A     K    71_A      3   39   73      3    6   10   18   35   38   40   43   47   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     K    72_A     K    72_A     10   14   73      6   10   10   11   12   17   32   40   42   43   47   57   63   65   67   70   71   73   74   75 
LCS_GDT     G    73_A     G    73_A     10   11   73      7   10   10   11   12   22   40   43   47   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     F    74_A     F    74_A     10   11   73      7   10   10   11   14   36   40   44   49   54   59   61   63   66   67   70   71   73   74   75 
LCS_GDT     M    75_A     M    75_A     10   11   73      7   10   10   11   12   14   15   21   35   40   44   45   49   53   60   62   71   73   74   75 
LCS_GDT     K    76_A     K    76_A     10   11   73      7   10   14   24   30   34   36   39   40   42   45   47   49   52   55   57   63   67   73   75 
LCS_GDT     L    77_A     L    77_A     10   11   68      7   10   10   11   12   30   34   39   40   42   45   47   51   56   63   70   71   73   74   75 
LCS_GDT     F    78_A     F    78_A     10   11   67      7   10   10   11   15   28   37   40   42   43   46   47   51   56   60   70   71   73   74   75 
LCS_GDT     D    79_A     D    79_A     10   11   61      3   10   22   25   34   36   37   38   39   41   43   44   45   47   48   50   51   55   56   56 
LCS_GDT     L    80_A     L    80_A     10   11   60     11   18   25   31   32   35   37   38   39   41   43   44   45   47   48   50   51   54   56   56 
LCS_GDT     F    81_A     F    81_A     10   11   54      3   16   29   31   34   36   37   38   39   41   44   45   46   47   48   50   52   55   57   57 
LCS_AVERAGE  LCS_A:  55.41  (  29.90   44.80   91.52 )

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     19     27     31     34     38     41     44     46     49     54     59     61     63     66     67     70     71     73     74     75 
GDT PERCENT_AT  24.05  34.18  39.24  43.04  48.10  51.90  55.70  58.23  62.03  68.35  74.68  77.22  79.75  83.54  84.81  88.61  89.87  92.41  93.67  94.94
GDT RMS_LOCAL    0.32   0.62   0.80   1.05   1.58   1.87   2.12   2.33   2.65   3.18   3.52   3.66   3.79   4.09   4.17   4.49   4.61   4.88   5.00   5.16
GDT RMS_ALL_AT   7.86   7.38   7.21   7.09   6.87   6.78   6.70   6.68   6.57   6.41   6.30   6.27   6.28   6.29   6.21   6.14   6.17   6.13   6.10   6.07

# Checking swapping
#   possible swapping detected:  E    15_A      E    15_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  E    47_A      E    47_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  F    60_A      F    60_A
#   possible swapping detected:  F    74_A      F    74_A
#   possible swapping detected:  F    78_A      F    78_A
#   possible swapping detected:  F    81_A      F    81_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     3_A      L     3_A    15.147     0    0.211   1.343    17.923    0.000    0.000
LGA    L     4_A      L     4_A     8.274     0    0.607   0.492    10.960    4.167    8.512
LGA    L     5_A      L     5_A     8.457     4    0.021   0.021     8.504    6.905    3.452
LGA    C     6_A      C     6_A     5.690     0    0.058   0.089     7.791   13.810   20.794
LGA    P     7_A      P     7_A     7.847     0    0.011   0.023     9.436    7.619   11.565
LGA    N     8_A      N     8_A     7.257     0    0.225   0.225     8.797    8.333   12.619
LGA    C     9_A      C     9_A     7.484     0    0.046   0.090     9.597    5.833   11.984
LGA    Q    10_A      Q    10_A     9.808     0    0.064   1.001    12.290    0.952    0.423
LGA    V    11_A      V    11_A     9.188     0    0.044   0.060     9.188    3.571    4.082
LGA    G    12_A      G    12_A     9.385     0    0.051   0.051     9.528    2.857    2.857
LGA    M    13_A      M    13_A     6.480     0    0.030   0.856     7.729   11.905   23.988
LGA    R    14_A      R    14_A     7.401     0    0.052   1.183    13.675   14.524    6.277
LGA    E    15_A      E    15_A     6.774     0    0.015   0.695     8.856    8.333   17.090
LGA    V    16_A      V    16_A     8.088     0    0.104   1.104    10.886    9.643    8.639
LGA    E    17_A      E    17_A     8.578     0    0.030   0.148    10.430    1.786    1.905
LGA    R    18_A      R    18_A    10.199     3    0.020   0.115    11.630    0.476    0.260
LGA    R    19_A      R    19_A    11.828     5    0.015   0.396    13.887    0.000    0.000
LGA    G    20_A      G    20_A     9.568     0    0.051   0.051    10.360    3.810    3.810
LGA    V    21_A      V    21_A     7.240     0    0.032   0.039     8.502   11.310   10.748
LGA    L    22_A      L    22_A     4.658     0    0.036   0.896     5.264   37.738   38.988
LGA    I    23_A      I    23_A     3.699     0    0.058   0.233     6.489   41.905   34.940
LGA    D    24_A      D    24_A     2.588     0    0.046   0.546     3.459   64.881   61.071
LGA    V    25_A      V    25_A     3.373     0    0.083   1.158     6.149   43.690   35.782
LGA    C    26_A      C    26_A     3.639     0    0.098   0.774     4.536   43.690   43.889
LGA    P    27_A      P    27_A     6.563     0    0.044   0.087     8.039   16.310   13.469
LGA    Q    28_A      Q    28_A     5.124     0    0.292   1.140     6.637   30.238   24.497
LGA    C    29_A      C    29_A     1.843     0    0.057   0.813     3.156   62.976   65.397
LGA    G    30_A      G    30_A     3.012     0    0.061   0.061     3.346   55.476   55.476
LGA    G    31_A      G    31_A     1.882     0    0.043   0.043     1.882   75.000   75.000
LGA    V    32_A      V    32_A     1.873     0    0.074   1.176     5.692   63.095   56.531
LGA    W    33_A      W    33_A     2.221     0    0.069   1.523     6.778   72.976   52.109
LGA    L    34_A      L    34_A     2.159     0    0.090   0.794     3.750   64.762   60.238
LGA    D    35_A      D    35_A     2.090     0    0.095   1.242     4.789   68.810   62.679
LGA    K    36_A      K    36_A     1.799     0    0.012   0.887     5.028   72.857   65.026
LGA    G    37_A      G    37_A     2.325     0    0.106   0.106     2.325   64.762   64.762
LGA    E    38_A      E    38_A     2.198     0    0.008   0.274     3.933   68.810   57.778
LGA    L    39_A      L    39_A     1.670     0    0.024   1.414     4.674   72.857   64.702
LGA    E    40_A      E    40_A     1.438     0    0.025   0.087     1.559   79.286   80.476
LGA    K    41_A      K    41_A     1.394     0    0.086   1.069     7.575   81.429   57.090
LGA    L    42_A      L    42_A     1.577     0    0.022   1.377     4.413   77.143   70.595
LGA    L    43_A      L    43_A     1.048     0    0.027   0.074     1.234   85.952   83.690
LGA    A    44_A      A    44_A     0.857     0    0.032   0.033     0.949   90.476   90.476
LGA    E    45_A      E    45_A     1.176     0    0.030   1.234     3.288   81.429   73.386
LGA    A    46_A      A    46_A     1.187     0    0.048   0.051     1.317   81.429   81.429
LGA    E    47_A      E    47_A     1.029     0    0.036   0.595     2.988   81.429   75.079
LGA    E    48_A      E    48_A     1.249     0    0.042   0.854     2.672   77.143   75.873
LGA    V    49_A      V    49_A     1.867     0    0.020   0.048     2.142   70.833   69.388
LGA    E    50_A      E    50_A     1.693     0    0.020   0.663     2.087   72.857   72.910
LGA    R    51_A      R    51_A     1.796     0    0.039   1.436    10.449   72.857   43.723
LGA    R    52_A      R    52_A     2.114     0    0.021   1.230     7.055   66.786   51.342
LGA    Y    53_A      Y    53_A     2.121     0    0.033   1.248     9.939   64.762   38.135
LGA    E    54_A      E    54_A     2.139     0    0.019   0.522     2.711   66.786   65.714
LGA    E    55_A      E    55_A     1.750     0    0.011   0.089     1.892   72.857   76.667
LGA    E    56_A      E    56_A     1.672     0    0.017   0.780     3.207   72.857   67.619
LGA    L    57_A      L    57_A     2.403     0    0.030   0.159     4.013   64.762   56.667
LGA    E    58_A      E    58_A     2.318     0    0.036   0.908     5.097   68.810   53.069
LGA    G    59_A      G    59_A     1.357     0    0.063   0.063     1.719   79.286   79.286
LGA    F    60_A      F    60_A     1.495     0    0.014   0.074     1.759   77.143   75.974
LGA    Y    61_A      Y    61_A     2.077     0    0.081   1.361    10.796   70.833   36.706
LGA    R    62_A      R    62_A     1.837     0    0.034   1.420     7.029   75.000   60.390
LGA    K    63_A      K    63_A     0.828     2    0.053   0.665     1.636   90.595   67.460
LGA    E    64_A      E    64_A     0.534     0    0.078   0.247     3.252   88.214   74.603
LGA    G    65_A      G    65_A     1.918     0    0.665   0.665     4.408   62.143   62.143
LGA    K    66_A      K    66_A     2.537     3    0.090   0.129     2.825   60.952   41.481
LGA    P    67_A      P    67_A     4.147     0    0.034   0.325     6.284   41.786   34.558
LGA    Y    68_A      Y    68_A     3.702     0    0.116   1.059     7.076   29.524   42.381
LGA    K    69_A      K    69_A     7.846     2    0.090   0.955    12.856   16.905    7.513
LGA    R    70_A      R    70_A     6.226     0    0.655   1.497    10.376   12.619    8.788
LGA    K    71_A      K    71_A     7.079     0    0.062   0.714     8.700    7.738    8.413
LGA    K    72_A      K    72_A    10.110     0    0.357   0.708    18.111    1.429    0.635
LGA    G    73_A      G    73_A     6.110     0    0.121   0.121     6.986   16.310   16.310
LGA    F    74_A      F    74_A     5.249     0    0.025   0.184     7.812   16.667   17.532
LGA    M    75_A      M    75_A    12.102     0    0.089   1.205    18.479    0.119    0.060
LGA    K    76_A      K    76_A    13.837     0    0.024   0.165    16.714    0.000    0.000
LGA    L    77_A      L    77_A    10.144     0    0.029   1.408    11.350    0.000    1.310
LGA    F    78_A      F    78_A    10.889     0    0.137   0.232    14.101    0.000    4.675
LGA    D    79_A      D    79_A    17.615     0    0.072   0.117    20.564    0.000    0.000
LGA    L    80_A      L    80_A    17.126     0    0.037   0.988    17.467    0.000    0.000
LGA    F    81_A      F    81_A    15.625     0    0.038   0.108    18.937    0.000    0.606

# 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):     6.034          6.101                  6.629           41.947   38.044

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   82   79    4.0     46    2.33    56.013    54.549     1.891

LGA_LOCAL      RMSD:   2.333  Number of atoms:   46  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.683  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   6.034  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.000443 * X  +  -0.449935 * Y  +  -0.893061 * Z  + -17.393167
  Y_new =   0.574502 * X  +  -0.730859 * Y  +   0.368500 * Z  +  -9.580719
  Z_new =  -0.818503 * X  +  -0.513229 * Y  +   0.258164 * Z  +  38.827858 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.570025  0.958801 -1.104735   [DEG:   89.9558   54.9352  -63.2967 ]
ZXZ: -1.962140  1.309675 -2.130857   [DEG: -112.4223   75.0388 -122.0891 ]
 
# END of job
