
#######################################################
#                                                     #
#                        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   90 (  699),  selected   87 , name one
# Molecule2: number of CA atoms   96 (  752),  selected   87 , 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:    87       2_A - 90_A        2.43     2.43
  LCS_AVERAGE:     90.62

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       3_A - 90_A        1.92     2.45
  LCS_AVERAGE:     88.63

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40       6_A - 45_A        0.99     2.76
  LONGEST_CONTINUOUS_SEGMENT:    40       7_A - 46_A        0.96     2.69
  LCS_AVERAGE:     32.84

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   87
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     A     2_A     A     2_A      3    6   87      3    3    3    4    6    8    8    9   12   12   12   13   32   33   36   59   79   79   83   87 
LCS_GDT     K     3_A     K     3_A      4   86   87      3    4    4    9   11   18   47   55   71   77   82   86   86   86   86   86   86   86   86   87 
LCS_GDT     E     4_A     E     4_A      4   86   87      3    4    4    4    6   58   80   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     R     5_A     R     5_A      4   86   87      3   17   33   54   72   80   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     A     6_A     A     6_A     40   86   87      3    4   16   35   78   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     L     7_A     L     7_A     40   86   87     13   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     T     8_A     T     8_A     40   86   87     22   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     L     9_A     L     9_A     40   86   87     22   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     E    10_A     E    10_A     40   86   87     22   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     A    11_A     A    11_A     40   86   87     22   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     L    12_A     L    12_A     40   86   87     22   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     R    13_A     R    13_A     40   86   87     22   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     V    14_A     V    14_A     40   86   87     22   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     M    15_A     M    15_A     40   86   87     22   33   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     D    16_A     D    16_A     40   86   87     17   33   53   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     A    17_A     A    17_A     40   86   87     17   33   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     I    18_A     I    18_A     40   86   87     17   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     D    19_A     D    19_A     40   86   87     22   33   53   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     R    20_A     R    20_A     40   86   87     15   33   49   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     R    21_A     R    21_A     40   86   87     15   33   53   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     G    22_A     G    22_A     40   86   87     15   33   53   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     S    23_A     S    23_A     40   86   87     12   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     F    24_A     F    24_A     40   86   87     12   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     A    25_A     A    25_A     40   86   87     15   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     A    26_A     A    26_A     40   86   87     17   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     A    27_A     A    27_A     40   86   87     17   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     A    28_A     A    28_A     40   86   87     17   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     D    29_A     D    29_A     40   86   87     17   35   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     E    30_A     E    30_A     40   86   87     17   33   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     L    31_A     L    31_A     40   86   87     17   33   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     G    32_A     G    32_A     40   86   87     17   33   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     R    33_A     R    33_A     40   86   87     17   35   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     V    34_A     V    34_A     40   86   87     17   36   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     P    35_A     P    35_A     40   86   87     17   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     S    36_A     S    36_A     40   86   87     17   33   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     A    37_A     A    37_A     40   86   87     17   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     L    38_A     L    38_A     40   86   87     17   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     S    39_A     S    39_A     40   86   87     17   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     Y    40_A     Y    40_A     40   86   87     17   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     T    41_A     T    41_A     40   86   87     17   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     M    42_A     M    42_A     40   86   87     17   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     Q    43_A     Q    43_A     40   86   87     17   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     K    44_A     K    44_A     40   86   87     17   33   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     L    45_A     L    45_A     40   86   87     17   33   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     E    46_A     E    46_A     40   86   87     17   33   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     E    47_A     E    47_A     37   86   87     17   33   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     E    48_A     E    48_A     35   86   87     17   33   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     L    49_A     L    49_A     35   86   87     17   33   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     D    50_A     D    50_A     35   86   87     17   33   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     V    51_A     V    51_A     35   86   87     17   36   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     V    52_A     V    52_A     35   86   87     17   36   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     L    53_A     L    53_A     35   86   87     10   33   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     F    54_A     F    54_A     35   86   87     10   31   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     D    55_A     D    55_A     35   86   87      5   21   47   70   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     R    56_A     R    56_A     24   86   87      3    4    4   26   36   73   81   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     S    57_A     S    57_A     24   86   87      4   10   23   29   59   75   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     R    60_A     R    60_A     24   86   87      8   32   60   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     T    61_A     T    61_A     24   86   87     13   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     K    62_A     K    62_A     24   86   87     13   36   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     F    63_A     F    63_A     24   86   87     11   36   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     T    64_A     T    64_A     24   86   87     13   36   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     N    65_A     N    65_A     24   86   87     10   33   60   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     V    66_A     V    66_A     24   86   87     10   32   57   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     G    67_A     G    67_A     24   86   87     10   21   49   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     R    68_A     R    68_A     24   86   87     10   21   44   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     M    69_A     M    69_A     24   86   87     10   21   37   62   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     L    70_A     L    70_A     24   86   87     10   21   32   58   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     L    71_A     L    71_A     24   86   87      7   21   37   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     E    72_A     E    72_A     23   86   87      3    7   34   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     R    73_A     R    73_A     23   86   87     22   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     G    74_A     G    74_A     23   86   87      8   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     R    75_A     R    75_A     23   86   87     14   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     V    76_A     V    76_A     23   86   87     22   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     L    77_A     L    77_A     23   86   87     14   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     L    78_A     L    78_A     23   86   87     22   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     E    79_A     E    79_A     23   86   87     22   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     A    80_A     A    80_A     23   86   87     22   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     A    81_A     A    81_A     23   86   87     22   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     D    82_A     D    82_A     23   86   87     22   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     K    83_A     K    83_A     23   86   87     22   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     L    84_A     L    84_A     23   86   87     22   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     T    85_A     T    85_A     23   86   87     22   33   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     T    86_A     T    86_A     23   86   87     22   33   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     D    87_A     D    87_A     23   86   87     22   33   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     A    88_A     A    88_A     23   86   87     22   32   54   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     E    89_A     E    89_A     23   86   87      9   33   57   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_GDT     A    90_A     A    90_A     21   86   87     12   37   62   73   79   81   82   84   85   85   85   86   86   86   86   86   86   86   86   87 
LCS_AVERAGE  LCS_A:  70.70  (  32.84   88.63   90.62 )

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     22     37     62     73     79     81     82     84     85     85     85     86     86     86     86     86     86     86     86     87 
GDT PERCENT_AT  22.92  38.54  64.58  76.04  82.29  84.38  85.42  87.50  88.54  88.54  88.54  89.58  89.58  89.58  89.58  89.58  89.58  89.58  89.58  90.62
GDT RMS_LOCAL    0.26   0.68   1.02   1.19   1.31   1.36   1.43   1.59   1.68   1.68   1.68   1.92   1.92   1.92   1.92   1.92   1.92   1.92   1.92   2.43
GDT RMS_ALL_AT   3.25   2.59   2.50   2.52   2.52   2.53   2.51   2.50   2.48   2.48   2.48   2.45   2.45   2.45   2.45   2.45   2.45   2.45   2.45   2.43

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  D    16_A      D    16_A
#   possible swapping detected:  F    24_A      F    24_A
#   possible swapping detected:  Y    40_A      Y    40_A
#   possible swapping detected:  E    46_A      E    46_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  E    79_A      E    79_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     2_A      A     2_A    14.791     0    0.474   0.459    16.464    0.000    0.000
LGA    K     3_A      K     3_A     9.066     0    0.359   1.288    11.864   12.500    5.767
LGA    E     4_A      E     4_A     5.490     0    0.548   0.758     9.716   24.286   12.646
LGA    R     5_A      R     5_A     4.062     0    0.588   1.211    12.088   40.714   18.225
LGA    A     6_A      A     6_A     2.826     0    0.615   0.607     5.226   65.119   57.333
LGA    L     7_A      L     7_A     1.099     0    0.072   1.066     3.194   83.690   78.631
LGA    T     8_A      T     8_A     1.310     0    0.012   0.050     1.389   81.429   81.429
LGA    L     9_A      L     9_A     1.131     0    0.022   0.170     1.179   83.690   82.560
LGA    E    10_A      E    10_A     0.987     0    0.026   1.204     3.889   85.952   77.302
LGA    A    11_A      A    11_A     1.150     0    0.034   0.035     1.308   81.429   81.429
LGA    L    12_A      L    12_A     1.257     0    0.031   0.075     1.598   81.429   80.357
LGA    R    13_A      R    13_A     0.933     0    0.050   1.007     3.477   88.214   81.212
LGA    V    14_A      V    14_A     1.008     0    0.036   0.101     1.277   83.690   85.306
LGA    M    15_A      M    15_A     1.517     0    0.064   1.093     3.498   75.000   70.060
LGA    D    16_A      D    16_A     1.908     0    0.018   0.069     2.488   70.833   67.798
LGA    A    17_A      A    17_A     1.534     0    0.031   0.030     1.543   75.000   76.286
LGA    I    18_A      I    18_A     1.279     0    0.014   0.100     1.637   77.143   81.548
LGA    D    19_A      D    19_A     2.240     0    0.015   0.464     4.666   64.881   57.857
LGA    R    20_A      R    20_A     2.460     0    0.046   1.123     4.674   64.762   65.541
LGA    R    21_A      R    21_A     2.141     0    0.060   0.869     4.354   64.762   61.688
LGA    G    22_A      G    22_A     1.998     0    0.112   0.112     2.024   77.381   77.381
LGA    S    23_A      S    23_A     0.525     0    0.096   0.540     1.051   90.476   88.968
LGA    F    24_A      F    24_A     0.645     0    0.043   0.119     1.813   95.238   84.935
LGA    A    25_A      A    25_A     0.433     0    0.021   0.029     0.669   97.619   96.190
LGA    A    26_A      A    26_A     0.546     0    0.021   0.025     0.899   92.857   92.381
LGA    A    27_A      A    27_A     0.776     0    0.017   0.016     1.074   88.214   88.667
LGA    A    28_A      A    28_A     0.550     0    0.042   0.044     1.058   88.214   90.571
LGA    D    29_A      D    29_A     0.974     0    0.023   0.862     2.707   85.952   81.786
LGA    E    30_A      E    30_A     1.349     0    0.008   0.384     2.079   79.286   74.868
LGA    L    31_A      L    31_A     1.219     0    0.034   0.119     1.307   81.429   81.429
LGA    G    32_A      G    32_A     1.295     0    0.018   0.018     1.295   81.429   81.429
LGA    R    33_A      R    33_A     0.975     0    0.011   1.338     6.455   88.214   68.442
LGA    V    34_A      V    34_A     0.876     0    0.045   0.044     1.255   90.476   86.599
LGA    P    35_A      P    35_A     0.436     0    0.026   0.119     0.830   95.238   94.558
LGA    S    36_A      S    36_A     1.256     0    0.128   0.178     2.490   88.214   81.746
LGA    A    37_A      A    37_A     0.756     0    0.023   0.024     0.892   90.476   90.476
LGA    L    38_A      L    38_A     0.709     0    0.041   0.767     2.540   90.476   81.964
LGA    S    39_A      S    39_A     0.618     0    0.025   0.658     2.686   90.476   86.508
LGA    Y    40_A      Y    40_A     0.600     0    0.007   0.047     1.038   90.476   89.722
LGA    T    41_A      T    41_A     0.639     0    0.012   0.076     0.817   90.476   90.476
LGA    M    42_A      M    42_A     0.774     0    0.030   1.614     6.541   90.476   71.964
LGA    Q    43_A      Q    43_A     0.683     0    0.063   1.378     5.139   88.214   69.735
LGA    K    44_A      K    44_A     1.244     0    0.117   0.805     6.583   83.690   64.074
LGA    L    45_A      L    45_A     1.496     0    0.031   0.058     1.991   79.286   76.071
LGA    E    46_A      E    46_A     1.295     0    0.027   0.116     1.842   81.429   78.571
LGA    E    47_A      E    47_A     1.222     0    0.033   0.280     1.454   81.429   84.444
LGA    E    48_A      E    48_A     1.539     0    0.077   0.249     1.987   79.286   75.714
LGA    L    49_A      L    49_A     1.434     0    0.076   0.114     2.100   81.429   77.202
LGA    D    50_A      D    50_A     1.183     0    0.098   0.258     1.359   81.429   83.690
LGA    V    51_A      V    51_A     1.061     0    0.181   1.186     3.139   77.262   71.361
LGA    V    52_A      V    52_A     0.859     0    0.024   0.067     1.214   90.476   87.891
LGA    L    53_A      L    53_A     1.170     0    0.058   0.090     2.166   83.690   77.262
LGA    F    54_A      F    54_A     1.278     0    0.062   0.157     2.192   75.119   72.208
LGA    D    55_A      D    55_A     2.072     0    0.055   0.483     3.202   67.024   63.155
LGA    R    56_A      R    56_A     4.939     0    0.018   1.206     8.999   30.357   20.909
LGA    S    57_A      S    57_A     4.201     0    0.681   0.596     4.755   35.714   36.190
LGA    R    60_A      R    60_A     1.676     6    0.047   0.075     2.445   75.119   34.719
LGA    T    61_A      T    61_A     0.500     0    0.023   0.094     0.964   92.857   93.197
LGA    K    62_A      K    62_A     0.709     0    0.031   0.949     5.434   90.476   72.910
LGA    F    63_A      F    63_A     0.997     0    0.021   1.036     4.586   90.476   73.896
LGA    T    64_A      T    64_A     0.901     0    0.027   0.055     1.336   85.952   87.891
LGA    N    65_A      N    65_A     1.673     0    0.044   0.149     2.025   72.976   72.917
LGA    V    66_A      V    66_A     1.737     0    0.033   0.080     2.158   70.833   72.925
LGA    G    67_A      G    67_A     1.787     0    0.101   0.101     2.488   68.810   68.810
LGA    R    68_A      R    68_A     2.068     0    0.026   1.581     8.614   64.881   46.883
LGA    M    69_A      M    69_A     2.576     0    0.045   1.286     6.448   57.262   45.833
LGA    L    70_A      L    70_A     2.696     0    0.120   0.147     3.551   60.952   56.429
LGA    L    71_A      L    71_A     2.141     0    0.054   0.111     2.466   70.952   70.893
LGA    E    72_A      E    72_A     2.050     0    0.026   1.271     6.711   70.833   46.032
LGA    R    73_A      R    73_A     1.531     0    0.080   1.246     3.211   79.286   72.424
LGA    G    74_A      G    74_A     0.786     0    0.091   0.091     0.796   90.476   90.476
LGA    R    75_A      R    75_A     0.551     0    0.090   1.343     7.994   90.476   59.697
LGA    V    76_A      V    76_A     0.934     0    0.011   0.104     1.590   88.214   84.082
LGA    L    77_A      L    77_A     1.059     0    0.011   0.929     3.709   83.690   75.714
LGA    L    78_A      L    78_A     0.758     0    0.045   0.104     0.888   90.476   90.476
LGA    E    79_A      E    79_A     0.704     0    0.016   0.956     3.611   90.476   73.333
LGA    A    80_A      A    80_A     0.921     0    0.050   0.048     1.194   90.476   88.667
LGA    A    81_A      A    81_A     0.936     0    0.037   0.036     0.954   90.476   90.476
LGA    D    82_A      D    82_A     0.878     0    0.022   0.191     1.167   90.476   89.345
LGA    K    83_A      K    83_A     0.852     0    0.031   0.471     2.042   88.214   86.614
LGA    L    84_A      L    84_A     1.330     0    0.032   0.132     2.377   81.429   76.131
LGA    T    85_A      T    85_A     1.421     0    0.018   0.070     1.729   77.143   77.755
LGA    T    86_A      T    86_A     1.420     0    0.016   0.052     1.665   77.143   78.980
LGA    D    87_A      D    87_A     1.486     0    0.032   0.071     1.704   77.143   80.417
LGA    A    88_A      A    88_A     2.226     0    0.096   0.109     2.584   66.786   64.857
LGA    E    89_A      E    89_A     1.989     0    0.038   0.162     3.160   70.833   63.280
LGA    A    90_A      A    90_A     0.734     0    0.549   0.565     2.144   84.167   85.429

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       87     348    348  100.00     671    671  100.00                96
SUMMARY(RMSD_GDC):     2.430          2.327                  2.925           70.450   65.771

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   96    4.0     84    1.59    72.917    81.216     4.984

LGA_LOCAL      RMSD:   1.585  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.497  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   2.430  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.262657 * X  +  -0.592684 * Y  +  -0.761405 * Z  +  76.606796
  Y_new =   0.577529 * X  +   0.728716 * Y  +  -0.368012 * Z  +  23.572338
  Z_new =   0.772963 * X  +  -0.343072 * Y  +   0.533694 * Z  + -29.272003 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.143962 -0.883498 -0.571315   [DEG:   65.5442  -50.6207  -32.7339 ]
ZXZ: -1.120571  1.007833  1.988516   [DEG:  -64.2040   57.7446  113.9336 ]
 
# END of job
