
#######################################################
#                                                     #
#                        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   92 (  680),  selected   92 , name one
# Molecule2: number of CA atoms   92 (  680),  selected   92 , 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:    88       1_A - 88_A        4.81     6.58
  LONGEST_CONTINUOUS_SEGMENT:    88       2_A - 89_A        4.70     6.54
  LCS_AVERAGE:     94.49

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      10_A - 82_A        1.99     7.43
  LCS_AVERAGE:     67.25

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22      57_A - 78_A        0.93     7.47
  LCS_AVERAGE:     13.99

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   92
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     G     1_A     G     1_A      4    5   88      3    4    5    6    7    8    9    9   11   15   17   22   22   24   27   30   65   69   74   76 
LCS_GDT     H     2_A     H     2_A      4    6   88      3    4    5    5    5    6    9    9   23   28   37   43   52   58   61   71   76   81   83   86 
LCS_GDT     M     3_A     M     3_A      4    6   88      3    4    5    5    5    8    9    9   11   15   17   43   48   51   61   64   69   77   83   86 
LCS_GDT     S     4_A     S     4_A      4    6   88      3    4    5    5    5    6    7    8    9   10   12   15   37   51   60   71   83   84   85   86 
LCS_GDT     G     5_A     G     5_A      3    6   88      3    3    4    5    6    6    7    8    8   10   37   43   52   64   80   83   83   84   85   86 
LCS_GDT     D     6_A     D     6_A      4    6   88      3    8   18   25   32   43   57   68   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     N     7_A     N     7_A      4   41   88      5   33   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     G     8_A     G     8_A      4   41   88      3    4   11   21   33   54   68   71   75   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     G     9_A     G     9_A      4   71   88      3    4    8   27   44   62   68   71   74   77   78   79   80   81   81   83   83   84   85   86 
LCS_GDT     G    10_A     G    10_A     13   73   88      8   23   46   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     E    11_A     E    11_A     13   73   88      9   26   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     R    12_A     R    12_A     13   73   88     15   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     R    13_A     R    13_A     13   73   88     15   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     K    14_A     K    14_A     13   73   88     15   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     G    15_A     G    15_A     13   73   88     17   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     S    16_A     S    16_A     13   73   88     17   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     V    17_A     V    17_A     13   73   88     17   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     K    18_A     K    18_A     14   73   88     14   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     W    19_A     W    19_A     14   73   88     14   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     F    20_A     F    20_A     14   73   88     13   38   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     D    21_A     D    21_A     14   73   88     10   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     T    22_A     T    22_A     14   73   88      4   26   47   57   61   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     Q    23_A     Q    23_A     14   73   88      9   26   47   57   61   65   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     K    24_A     K    24_A     14   73   88      4    8   26   43   60   64   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     G    25_A     G    25_A     14   73   88      4   12   27   46   60   64   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     F    26_A     F    26_A     14   73   88      8   22   47   57   61   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     G    27_A     G    27_A     14   73   88     16   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     F    28_A     F    28_A     14   73   88     17   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     I    29_A     I    29_A     14   73   88     17   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     T    30_A     T    30_A     14   73   88     17   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     P    31_A     P    31_A     14   73   88     16   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     D    32_A     D    32_A     14   73   88     14   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     D    33_A     D    33_A      9   73   88      4   14   40   56   61   64   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     G    34_A     G    34_A     11   73   88      4    5   10   18   41   62   68   71   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     G    35_A     G    35_A     11   73   88      4   29   49   57   61   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     D    36_A     D    36_A     11   73   88     16   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     D    37_A     D    37_A     11   73   88     17   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     L    38_A     L    38_A     11   73   88     17   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     F    39_A     F    39_A     11   73   88     17   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     V    40_A     V    40_A     11   73   88     16   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     H    41_A     H    41_A     11   73   88     10   29   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     Q    42_A     Q    42_A     11   73   88     17   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     S    43_A     S    43_A     11   73   88     16   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     S    44_A     S    44_A     11   73   88      6   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     I    45_A     I    45_A     11   73   88     14   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     R    46_A     R    46_A      4   73   88      3    3    7   20   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     S    47_A     S    47_A      4   73   88      3   28   49   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     E    48_A     E    48_A      4   73   88      3   14   22   32   45   58   65   71   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     G    49_A     G    49_A      4   73   88      3    7   18   32   48   62   67   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     F    50_A     F    50_A      4   73   88      3    4    5    9   43   64   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     R    51_A     R    51_A     15   73   88      3    9   33   51   61   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     S    52_A     S    52_A     16   73   88     13   38   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     L    53_A     L    53_A     16   73   88     14   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     A    54_A     A    54_A     16   73   88     13   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     A    55_A     A    55_A     16   73   88      8   31   49   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     E    56_A     E    56_A     16   73   88      8   26   49   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     E    57_A     E    57_A     22   73   88     10   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     A    58_A     A    58_A     22   73   88     11   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     V    59_A     V    59_A     22   73   88     17   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     E    60_A     E    60_A     22   73   88     17   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     F    61_A     F    61_A     22   73   88     17   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     E    62_A     E    62_A     22   73   88     17   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     V    63_A     V    63_A     22   73   88      5   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     E    64_A     E    64_A     22   73   88      5   38   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     I    65_A     I    65_A     22   73   88      5   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     D    66_A     D    66_A     22   73   88      5   28   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     N    67_A     N    67_A     22   73   88      5   28   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     N    68_A     N    68_A     22   73   88      3    6   39   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     N    69_A     N    69_A     22   73   88      3   22   47   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     R    70_A     R    70_A     22   73   88      8   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     P    71_A     P    71_A     22   73   88     15   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     K    72_A     K    72_A     22   73   88      5   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     A    73_A     A    73_A     22   73   88      5   30   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     I    74_A     I    74_A     22   73   88      3   13   47   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     D    75_A     D    75_A     22   73   88     11   37   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     V    76_A     V    76_A     22   73   88     17   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     S    77_A     S    77_A     22   73   88     17   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     G    78_A     G    78_A     22   73   88     17   39   50   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     P    79_A     P    79_A     21   73   88      5    7   25   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     D    80_A     D    80_A      9   73   88      5    9   15   35   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     G    81_A     G    81_A      9   73   88      5    9   25   55   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     A    82_A     A    82_A      9   73   88      4    7   42   57   62   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     P    83_A     P    83_A      9   48   88      3    7   22   49   60   66   68   73   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     V    84_A     V    84_A      8   36   88      3    5    9   19   27   55   67   72   76   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     Q    85_A     Q    85_A      6   36   88      3    5    9   17   25   31   58   67   72   77   79   79   80   81   81   83   83   84   85   86 
LCS_GDT     G    86_A     G    86_A      6   29   88      3    5    6   15   23   28   32   44   56   67   76   79   80   81   81   83   83   84   85   86 
LCS_GDT     N    87_A     N    87_A      3    5   88      3    3    3    4    4    6    7   15   15   33   42   52   64   72   76   83   83   84   85   86 
LCS_GDT     S    88_A     S    88_A      3    5   88      3    3    3    5   13   19   24   28   33   39   42   52   57   66   69   71   78   83   85   85 
LCS_GDT     G    89_A     G    89_A      3    5   88      3    3    3    4    4    6   15   22   27   31   37   42   47   54   57   64   69   70   75   81 
LCS_GDT     G    90_A     G    90_A      3    5   87      3    3    3    4    4    6    7    9   12   13   15   16   18   22   31   35   43   50   53   62 
LCS_GDT     G    91_A     G    91_A      3    3   41      3    3    3    3    4    5    7    9   12   15   18   24   26   28   31   35   43   50   53   69 
LCS_GDT     S    92_A     S    92_A      3    3   38      3    3    3    3    3    6    7    7    9   10   15   15   17   27   31   32   36   39   42   56 
LCS_AVERAGE  LCS_A:  58.58  (  13.99   67.25   94.49 )

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     17     39     50     57     62     66     68     73     76     77     79     79     80     81     81     83     83     84     85     86 
GDT PERCENT_AT  18.48  42.39  54.35  61.96  67.39  71.74  73.91  79.35  82.61  83.70  85.87  85.87  86.96  88.04  88.04  90.22  90.22  91.30  92.39  93.48
GDT RMS_LOCAL    0.35   0.64   0.86   1.03   1.32   1.45   1.51   1.84   2.08   2.14   2.41   2.41   2.48   2.64   2.64   3.17   3.17   3.41   3.73   4.10
GDT RMS_ALL_AT   7.59   7.49   7.44   7.51   7.32   7.28   7.35   7.40   7.35   7.43   7.21   7.21   7.25   7.17   7.17   6.98   6.98   6.91   6.80   6.74

# Checking swapping
#   possible swapping detected:  D     6_A      D     6_A
#   possible swapping detected:  F    20_A      F    20_A
#   possible swapping detected:  F    26_A      F    26_A
#   possible swapping detected:  F    28_A      F    28_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  D    36_A      D    36_A
#   possible swapping detected:  F    39_A      F    39_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  D    66_A      D    66_A
#   possible swapping detected:  D    80_A      D    80_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    24.687     0    0.062   0.062    27.255    0.000    0.000
LGA    H     2_A      H     2_A    18.390     0    0.133   1.221    20.687    0.000    0.000
LGA    M     3_A      M     3_A    17.560     0    0.071   1.171    19.357    0.000    0.000
LGA    S     4_A      S     4_A    13.172     0    0.386   0.349    15.164    0.000    0.000
LGA    G     5_A      G     5_A    11.766     0    0.020   0.020    12.541    0.833    0.833
LGA    D     6_A      D     6_A     7.365     0    0.209   0.918    11.324   17.619    9.167
LGA    N     7_A      N     7_A     1.409     0    0.422   1.191     6.803   63.571   44.821
LGA    G     8_A      G     8_A     5.948     0    0.179   0.179     8.722   21.905   21.905
LGA    G     9_A      G     9_A     5.742     0    0.315   0.315     5.742   33.333   33.333
LGA    G    10_A      G    10_A     2.092     0    0.574   0.574     3.412   61.190   61.190
LGA    E    11_A      E    11_A     1.548     0    0.192   0.547     3.116   72.976   66.878
LGA    R    12_A      R    12_A     0.775     0    0.031   1.137     2.643   85.952   74.286
LGA    R    13_A      R    13_A     0.653     0    0.070   1.466     6.229   90.476   71.082
LGA    K    14_A      K    14_A     0.664     0    0.031   0.750     2.722   90.476   83.069
LGA    G    15_A      G    15_A     0.476     0    0.021   0.021     0.497  100.000  100.000
LGA    S    16_A      S    16_A     0.249     0    0.054   0.672     2.082  100.000   94.127
LGA    V    17_A      V    17_A     0.413     0    0.027   0.077     0.698   95.238   95.918
LGA    K    18_A      K    18_A     0.710     0    0.065   0.920     1.937   95.238   85.661
LGA    W    19_A      W    19_A     0.768     0    0.011   1.447     4.055   95.238   75.340
LGA    F    20_A      F    20_A     1.128     0    0.108   0.290     1.507   79.286   83.939
LGA    D    21_A      D    21_A     0.681     0    0.089   0.439     2.842   88.214   81.786
LGA    T    22_A      T    22_A     2.047     0    0.057   1.182     4.627   65.238   56.122
LGA    Q    23_A      Q    23_A     2.426     0    0.199   1.265     3.881   59.405   58.519
LGA    K    24_A      K    24_A     4.030     0    0.042   0.911     4.827   38.929   40.741
LGA    G    25_A      G    25_A     3.831     0    0.045   0.045     3.831   45.000   45.000
LGA    F    26_A      F    26_A     1.940     0    0.064   1.191     7.825   73.214   45.065
LGA    G    27_A      G    27_A     0.508     0    0.087   0.087     0.971   95.238   95.238
LGA    F    28_A      F    28_A     0.481     0    0.054   0.239     2.241  100.000   84.416
LGA    I    29_A      I    29_A     0.074     0    0.028   0.050     0.364  100.000  100.000
LGA    T    30_A      T    30_A     0.192     0    0.036   0.043     0.543  100.000   98.639
LGA    P    31_A      P    31_A     0.638     0    0.087   0.369     1.054   90.595   91.973
LGA    D    32_A      D    32_A     0.759     0    0.061   0.889     2.081   81.667   78.393
LGA    D    33_A      D    33_A     3.394     0    0.035   1.184     5.774   44.524   39.643
LGA    G    34_A      G    34_A     4.845     0    0.192   0.192     4.845   49.167   49.167
LGA    G    35_A      G    35_A     1.863     0    0.154   0.154     3.411   63.214   63.214
LGA    D    36_A      D    36_A     0.483     0    0.121   0.325     0.837   95.238   94.048
LGA    D    37_A      D    37_A     0.427     0    0.042   0.587     1.845  100.000   95.417
LGA    L    38_A      L    38_A     0.436     0    0.020   1.187     2.751   95.238   86.905
LGA    F    39_A      F    39_A     0.334     0    0.048   1.243     7.217  100.000   61.688
LGA    V    40_A      V    40_A     0.634     0    0.028   0.101     1.258   88.333   89.252
LGA    H    41_A      H    41_A     1.754     0    0.117   0.403     5.526   81.548   53.238
LGA    Q    42_A      Q    42_A     0.897     0    0.053   1.273     5.330   88.214   71.270
LGA    S    43_A      S    43_A     0.779     0    0.086   0.591     2.884   88.214   81.905
LGA    S    44_A      S    44_A     0.727     0    0.037   0.081     1.268   90.476   88.968
LGA    I    45_A      I    45_A     0.409     0    0.647   1.275     3.335   86.548   78.155
LGA    R    46_A      R    46_A     3.665     0    0.607   1.101     9.412   42.500   28.225
LGA    S    47_A      S    47_A     1.185     0    0.269   0.693     4.183   58.333   59.365
LGA    E    48_A      E    48_A     6.100     0    0.431   1.328    11.048   18.571   10.529
LGA    G    49_A      G    49_A     5.010     0    0.554   0.554     6.365   26.548   26.548
LGA    F    50_A      F    50_A     3.827     0    0.589   1.475     9.330   48.452   24.589
LGA    R    51_A      R    51_A     2.824     0    0.611   0.919    14.341   66.905   27.965
LGA    S    52_A      S    52_A     1.240     0    0.060   0.092     2.609   79.286   74.524
LGA    L    53_A      L    53_A     0.891     0    0.063   0.191     1.260   88.214   90.536
LGA    A    54_A      A    54_A     0.952     0    0.032   0.038     1.122   90.476   88.667
LGA    A    55_A      A    55_A     1.626     0    0.471   0.448     3.006   69.286   70.000
LGA    E    56_A      E    56_A     1.623     0    0.117   0.637     5.176   77.143   57.037
LGA    E    57_A      E    57_A     1.012     0    0.040   1.242     4.687   85.952   74.286
LGA    A    58_A      A    58_A     0.784     0    0.020   0.030     1.059   92.857   90.571
LGA    V    59_A      V    59_A     0.304     0    0.042   0.100     0.363  100.000  100.000
LGA    E    60_A      E    60_A     0.346     0    0.040   0.570     1.768   95.238   86.667
LGA    F    61_A      F    61_A     0.631     0    0.115   0.119     0.997   90.476   93.074
LGA    E    62_A      E    62_A     0.471     0    0.026   0.834     1.953   95.238   91.852
LGA    V    63_A      V    63_A     1.131     0    0.090   0.187     1.253   83.690   84.014
LGA    E    64_A      E    64_A     1.335     0    0.033   0.460     4.163   81.429   68.307
LGA    I    65_A      I    65_A     1.232     0    0.049   0.118     1.362   81.429   81.429
LGA    D    66_A      D    66_A     1.778     0    0.076   0.532     2.488   72.857   71.845
LGA    N    67_A      N    67_A     1.988     0    0.337   0.936     5.426   70.833   56.845
LGA    N    68_A      N    68_A     3.135     0    0.698   1.230     3.931   51.905   52.857
LGA    N    69_A      N    69_A     2.303     0    0.028   0.110     3.801   69.048   58.750
LGA    R    70_A      R    70_A     0.947     0    0.060   1.245     3.716   83.690   74.199
LGA    P    71_A      P    71_A     0.651     0    0.035   0.064     1.007   88.214   93.265
LGA    K    72_A      K    72_A     1.061     0    0.039   0.776     4.698   83.690   66.561
LGA    A    73_A      A    73_A     1.245     0    0.028   0.034     2.374   75.119   74.667
LGA    I    74_A      I    74_A     2.387     0    0.600   1.609     4.214   59.881   56.786
LGA    D    75_A      D    75_A     1.590     0    0.406   0.578     2.498   70.833   75.179
LGA    V    76_A      V    76_A     0.770     0    0.031   0.072     0.844   90.476   90.476
LGA    S    77_A      S    77_A     0.668     0    0.035   0.113     0.690   90.476   92.063
LGA    G    78_A      G    78_A     0.708     0    0.030   0.030     1.546   83.810   83.810
LGA    P    79_A      P    79_A     2.308     0    0.033   0.087     3.821   59.881   65.510
LGA    D    80_A      D    80_A     3.878     0    0.028   0.170     4.774   43.810   40.476
LGA    G    81_A      G    81_A     3.060     0    0.157   0.157     3.173   53.571   53.571
LGA    A    82_A      A    82_A     3.134     0    0.112   0.130     3.483   63.333   60.667
LGA    P    83_A      P    83_A     3.628     0    0.016   0.349     5.077   43.452   38.367
LGA    V    84_A      V    84_A     4.945     0    0.117   1.049     6.728   24.762   25.442
LGA    Q    85_A      Q    85_A     7.125     0    0.143   1.015     9.226    8.333   19.206
LGA    G    86_A      G    86_A     9.329     0    0.626   0.626    10.611    1.548    1.548
LGA    N    87_A      N    87_A    13.213     0    0.194   1.013    16.602    0.000    0.000
LGA    S    88_A      S    88_A    16.164     0    0.424   0.866    17.694    0.000    0.000
LGA    G    89_A      G    89_A    20.507     0    0.279   0.279    22.611    0.000    0.000
LGA    G    90_A      G    90_A    26.080     0    0.306   0.306    28.417    0.000    0.000
LGA    G    91_A      G    91_A    24.969     0    0.080   0.080    25.835    0.000    0.000
LGA    S    92_A      S    92_A    26.824     0    0.616   0.569    28.934    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       92     368    368  100.00     680    680  100.00                92
SUMMARY(RMSD_GDC):     6.319          6.333                  6.080           63.838   58.811

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92   92    4.0     73    1.84    68.478    70.741     3.757

LGA_LOCAL      RMSD:   1.843  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.402  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   6.319  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.631890 * X  +  -0.001547 * Y  +  -0.775057 * Z  +  -4.545924
  Y_new =  -0.348073 * X  +  -0.892917 * Y  +   0.285560 * Z  +  18.953638
  Z_new =  -0.692503 * X  +   0.450219 * Y  +   0.563687 * Z  +   3.807196 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.638102  0.764953  0.673950   [DEG: -151.1521   43.8286   38.6145 ]
ZXZ: -1.923801  0.971954 -0.994328   [DEG: -110.2257   55.6889  -56.9708 ]
 
# END of job
