
#######################################################
#                                                     #
#                        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  100 (  812),  selected   78 , name one
# Molecule2: number of CA atoms   78 (  613),  selected   78 , 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:    78      21_A - 98_A        3.84     3.84
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      24_A - 98_A        1.88     4.04
  LCS_AVERAGE:     92.72

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      28_A - 60_A        1.00     4.38
  LCS_AVERAGE:     30.51

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   78
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     F    21_A     F    21_A      3    4   78      3    3    4    4    5    5    5    5    5    6    6   10   10   10   13   14   19   20   21   21 
LCS_GDT     Q    22_A     Q    22_A      3    6   78      3    3    4    4    6    7    8   10   11   11   13   15   15   20   20   21   30   32   41   64 
LCS_GDT     G    23_A     G    23_A      3    6   78      3    3    4    6    6   10   26   40   49   59   72   74   75   76   76   76   76   76   76   76 
LCS_GDT     Q    24_A     Q    24_A      3   75   78      1    3    4    6   34   49   69   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     Q    25_A     Q    25_A      3   75   78      0    3    4   24   34   48   69   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     D    26_A     D    26_A     32   75   78     17   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     K    27_A     K    27_A     32   75   78     17   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     L    28_A     L    28_A     33   75   78     17   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     V    29_A     V    29_A     33   75   78      9   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     L    30_A     L    30_A     33   75   78     17   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     R    31_A     R    31_A     33   75   78     17   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     V    32_A     V    32_A     33   75   78     17   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     D    33_A     D    33_A     33   75   78      4   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     G    34_A     G    34_A     33   75   78      4   26   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     I    35_A     I    35_A     33   75   78      3   24   47   65   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     L    36_A     L    36_A     33   75   78      3   24   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     N    37_A     N    37_A     33   75   78     11   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     E    38_A     E    38_A     33   75   78     14   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     L    39_A     L    39_A     33   75   78     14   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     D    40_A     D    40_A     33   75   78     14   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     A    41_A     A    41_A     33   75   78     14   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     Q    42_A     Q    42_A     33   75   78     14   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     V    43_A     V    43_A     33   75   78     14   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     L    44_A     L    44_A     33   75   78     14   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     E    45_A     E    45_A     33   75   78     14   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     G    46_A     G    46_A     33   75   78     14   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     I    47_A     I    47_A     33   75   78     14   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     L    48_A     L    48_A     33   75   78     14   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     T    49_A     T    49_A     33   75   78     14   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     R    50_A     R    50_A     33   75   78     14   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     L    51_A     L    51_A     33   75   78     17   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     N    52_A     N    52_A     33   75   78      6   29   47   65   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     G    53_A     G    53_A     33   75   78     17   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     V    54_A     V    54_A     33   75   78     17   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     R    55_A     R    55_A     33   75   78     17   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     Q    56_A     Q    56_A     33   75   78     17   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     F    57_A     F    57_A     33   75   78      9   21   44   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     R    58_A     R    58_A     33   75   78      9   21   40   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     L    59_A     L    59_A     33   75   78     17   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     D    60_A     D    60_A     33   75   78     10   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     R    61_A     R    61_A     30   75   78      3   21   46   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     I    62_A     I    62_A     12   75   78      4   19   35   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     S    63_A     S    63_A     13   75   78      4   24   45   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     G    64_A     G    64_A     21   75   78      6   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     E    65_A     E    65_A     21   75   78      4   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     L    66_A     L    66_A     21   75   78     17   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     E    67_A     E    67_A     21   75   78     17   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     V    68_A     V    68_A     21   75   78     17   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     V    69_A     V    69_A     21   75   78     17   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     F    70_A     F    70_A     21   75   78     17   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     D    71_A     D    71_A     21   75   78      8   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     P    72_A     P    72_A     21   75   78      7   26   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     E    73_A     E    73_A     21   75   78      7   22   45   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     V    74_A     V    74_A     21   75   78      8   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     V    75_A     V    75_A     21   75   78      3   22   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     S    76_A     S    76_A     21   75   78      8   20   40   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     S    77_A     S    77_A     21   75   78      8   20   42   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     R    78_A     R    78_A     21   75   78      4   20   39   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     S    79_A     S    79_A     21   75   78      8   20   38   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     L    80_A     L    80_A     21   75   78      8   17   35   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     V    81_A     V    81_A     21   75   78      8   21   45   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     D    82_A     D    82_A     21   75   78      8   21   45   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     G    83_A     G    83_A     21   75   78      7   21   38   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     I    84_A     I    84_A     21   75   78      8   21   38   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     E    85_A     E    85_A     18   75   78      6   21   45   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     E    86_A     E    86_A     18   75   78      8   21   45   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     D    87_A     D    87_A     18   75   78      8   21   35   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     G    88_A     G    88_A     18   75   78      4   20   31   52   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     F    89_A     F    89_A     18   75   78      2   19   35   57   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     G    90_A     G    90_A     18   75   78      3   19   32   51   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     K    91_A     K    91_A     18   75   78      6   21   45   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     F    92_A     F    92_A     18   75   78      8   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     K    93_A     K    93_A      8   75   78      4   29   47   65   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     L    94_A     L    94_A      8   75   78      3   14   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     R    95_A     R    95_A      8   75   78      6   29   47   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     V    96_A     V    96_A      8   75   78      6   21   45   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     M    97_A     M    97_A      8   75   78      6   21   38   66   73   73   73   74   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_GDT     S    98_A     S    98_A      8   75   78      4   20   34   63   73   73   73   73   75   75   75   75   75   76   76   76   76   76   76   76 
LCS_AVERAGE  LCS_A:  74.41  (  30.51   92.72  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     17     29     47     66     73     73     73     74     75     75     75     75     75     76     76     76     76     76     76     76 
GDT PERCENT_AT  21.79  37.18  60.26  84.62  93.59  93.59  93.59  94.87  96.15  96.15  96.15  96.15  96.15  97.44  97.44  97.44  97.44  97.44  97.44  97.44
GDT RMS_LOCAL    0.37   0.66   0.97   1.41   1.54   1.54   1.54   1.86   1.88   1.88   1.88   1.88   1.88   2.29   2.29   2.29   2.29   2.29   2.29   2.29
GDT RMS_ALL_AT   4.49   4.37   4.27   4.14   4.18   4.18   4.18   4.03   4.04   4.04   4.04   4.04   4.04   3.95   3.95   3.95   3.95   3.95   3.95   3.95

# Checking swapping
#   possible swapping detected:  F    21_A      F    21_A
#   possible swapping detected:  D    26_A      D    26_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  D    40_A      D    40_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  F    57_A      F    57_A
#   possible swapping detected:  D    60_A      D    60_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  F    70_A      F    70_A
#   possible swapping detected:  D    71_A      D    71_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  D    82_A      D    82_A
#   possible swapping detected:  E    85_A      E    85_A
#   possible swapping detected:  D    87_A      D    87_A
#   possible swapping detected:  F    89_A      F    89_A
#   possible swapping detected:  F    92_A      F    92_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    F    21_A      F    21_A    22.990     0    0.711   1.116    26.865    0.000    0.000
LGA    Q    22_A      Q    22_A    18.250     4    0.237   0.293    20.150    0.000    0.000
LGA    G    23_A      G    23_A    11.766     0    0.668   0.668    13.819    1.071    1.071
LGA    Q    24_A      Q    24_A     6.290     0    0.483   1.288     8.697   11.786   24.233
LGA    Q    25_A      Q    25_A     6.343     0    0.597   0.789    12.590   30.238   14.127
LGA    D    26_A      D    26_A     1.300     0    0.479   1.244     7.441   79.524   49.048
LGA    K    27_A      K    27_A     1.720     0    0.068   0.584     2.871   72.857   70.317
LGA    L    28_A      L    28_A     1.257     0    0.144   0.171     1.327   81.429   81.429
LGA    V    29_A      V    29_A     1.350     0    0.111   0.112     2.219   83.690   76.735
LGA    L    30_A      L    30_A     0.931     0    0.107   0.751     2.376   85.952   82.798
LGA    R    31_A      R    31_A     0.861     0    0.038   1.204     3.358   90.476   81.299
LGA    V    32_A      V    32_A     0.672     0    0.115   0.158     1.146   88.214   87.891
LGA    D    33_A      D    33_A     1.678     0    0.111   0.326     2.504   75.000   68.929
LGA    G    34_A      G    34_A     1.623     0    0.613   0.613     3.141   67.143   67.143
LGA    I    35_A      I    35_A     2.070     0    0.293   1.627     4.737   66.786   62.857
LGA    L    36_A      L    36_A     1.882     0    0.147   0.226     3.719   63.452   63.214
LGA    N    37_A      N    37_A     1.542     0    0.104   1.246     3.646   77.143   72.381
LGA    E    38_A      E    38_A     1.393     0    0.065   0.810     2.845   79.286   70.529
LGA    L    39_A      L    39_A     1.349     0    0.036   1.079     5.234   81.429   66.667
LGA    D    40_A      D    40_A     1.313     0    0.040   0.136     1.610   81.429   80.357
LGA    A    41_A      A    41_A     1.323     0    0.051   0.059     1.370   81.429   81.429
LGA    Q    42_A      Q    42_A     1.233     0    0.032   0.917     4.870   81.429   66.085
LGA    V    43_A      V    43_A     1.222     0    0.038   0.052     1.252   81.429   81.429
LGA    L    44_A      L    44_A     1.162     0    0.035   1.090     3.009   81.429   76.429
LGA    E    45_A      E    45_A     1.277     0    0.036   0.245     1.421   81.429   81.429
LGA    G    46_A      G    46_A     1.248     0    0.023   0.023     1.257   81.429   81.429
LGA    I    47_A      I    47_A     0.885     0    0.032   0.705     3.454   90.476   85.417
LGA    L    48_A      L    48_A     1.095     0    0.020   0.928     4.046   83.690   75.952
LGA    T    49_A      T    49_A     1.368     0    0.079   1.104     2.803   79.286   75.510
LGA    R    50_A      R    50_A     0.816     0    0.206   1.008     7.114   83.810   58.961
LGA    L    51_A      L    51_A     1.242     0    0.053   1.315     3.627   85.952   77.917
LGA    N    52_A      N    52_A     1.744     0    0.624   0.799     4.787   60.476   64.643
LGA    G    53_A      G    53_A     1.364     0    0.127   0.127     1.407   83.690   83.690
LGA    V    54_A      V    54_A     0.828     0    0.017   0.039     1.083   92.857   90.544
LGA    R    55_A      R    55_A     1.111     0    0.103   1.777     6.345   83.690   63.420
LGA    Q    56_A      Q    56_A     0.691     0    0.102   0.215     1.989   85.952   83.651
LGA    F    57_A      F    57_A     1.953     0    0.115   1.234     5.144   70.833   59.221
LGA    R    58_A      R    58_A     2.281     0    0.112   1.144     6.156   66.786   51.905
LGA    L    59_A      L    59_A     1.306     0    0.059   0.963     2.179   79.286   76.190
LGA    D    60_A      D    60_A     0.757     0    0.047   0.556     1.804   88.214   82.679
LGA    R    61_A      R    61_A     1.464     0    0.077   1.250     3.605   75.476   62.727
LGA    I    62_A      I    62_A     2.210     0    0.056   0.066     3.341   64.881   61.071
LGA    S    63_A      S    63_A     2.100     0    0.095   0.119     2.474   73.095   71.667
LGA    G    64_A      G    64_A     0.551     0    0.185   0.185     0.937   92.857   92.857
LGA    E    65_A      E    65_A     1.238     0    0.119   0.123     3.249   85.952   71.746
LGA    L    66_A      L    66_A     1.162     0    0.117   1.041     2.933   81.429   80.655
LGA    E    67_A      E    67_A     1.362     0    0.072   0.375     3.137   81.429   70.582
LGA    V    68_A      V    68_A     0.643     0    0.030   0.065     1.203   88.214   90.544
LGA    V    69_A      V    69_A     0.756     0    0.070   0.102     1.134   88.214   89.184
LGA    F    70_A      F    70_A     0.717     0    0.022   0.158     1.591   95.238   88.961
LGA    D    71_A      D    71_A     0.561     0    0.059   0.895     3.368   90.476   80.000
LGA    P    72_A      P    72_A     1.042     0    0.412   0.443     2.534   77.619   79.252
LGA    E    73_A      E    73_A     1.122     0    0.356   0.480     3.738   77.262   68.995
LGA    V    74_A      V    74_A     0.389     0    0.052   0.080     1.123  100.000   94.626
LGA    V    75_A      V    75_A     1.305     0    0.140   0.142     2.208   85.952   79.184
LGA    S    76_A      S    76_A     1.776     0    0.042   0.095     2.219   72.857   71.508
LGA    S    77_A      S    77_A     1.682     0    0.033   0.637     3.086   72.857   69.048
LGA    R    78_A      R    78_A     1.990     0    0.095   1.543    10.025   72.857   44.502
LGA    S    79_A      S    79_A     2.076     0    0.045   0.620     4.319   68.810   62.857
LGA    L    80_A      L    80_A     2.265     0    0.037   0.913     2.447   66.786   71.071
LGA    V    81_A      V    81_A     1.442     0    0.025   0.031     1.723   79.286   80.204
LGA    D    82_A      D    82_A     1.504     0    0.040   0.215     1.931   72.857   73.929
LGA    G    83_A      G    83_A     2.149     0    0.053   0.053     2.192   66.786   66.786
LGA    I    84_A      I    84_A     1.846     0    0.044   0.700     3.928   70.833   67.143
LGA    E    85_A      E    85_A     1.131     0    0.037   0.201     1.481   81.429   83.439
LGA    E    86_A      E    86_A     1.587     0    0.075   0.939     2.267   75.000   73.862
LGA    D    87_A      D    87_A     2.476     0    0.044   1.161     6.501   60.952   45.238
LGA    G    88_A      G    88_A     2.764     0    0.635   0.635     2.782   59.048   59.048
LGA    F    89_A      F    89_A     3.009     0    0.481   1.029    10.825   53.571   26.623
LGA    G    90_A      G    90_A     3.121     0    0.092   0.092     3.193   55.476   55.476
LGA    K    91_A      K    91_A     1.522     0    0.084   0.531     2.302   82.024   78.148
LGA    F    92_A      F    92_A     0.839     0    0.046   0.328     1.879   88.214   85.628
LGA    K    93_A      K    93_A     1.995     0    0.071   1.410    10.031   77.143   46.984
LGA    L    94_A      L    94_A     1.931     0    0.073   0.231     3.076   63.095   63.988
LGA    R    95_A      R    95_A     1.411     0    0.043   1.670     7.890   79.286   51.255
LGA    V    96_A      V    96_A     1.904     0    0.097   0.100     3.041   65.119   62.857
LGA    M    97_A      M    97_A     2.111     0    0.119   0.709     2.603   62.857   68.929
LGA    S    98_A      S    98_A     2.916     1    0.671   0.634     4.274   47.143   40.952

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       78     312    312  100.00     613    613  100.00                78
SUMMARY(RMSD_GDC):     3.839          3.755                  4.505           72.985   67.314

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  100   78    4.0     74    1.86    78.526    86.731     3.773

LGA_LOCAL      RMSD:   1.861  Number of atoms:   74  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.027  Number of assigned atoms:   78 
Std_ASGN_ATOMS RMSD:   3.839  Standard rmsd on all 78 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.247048 * X  +   0.022074 * Y  +  -0.968752 * Z  +  10.971015
  Y_new =   0.697444 * X  +  -0.689998 * Y  +  -0.193582 * Z  + -24.518147
  Z_new =  -0.672710 * X  +  -0.723474 * Y  +   0.155067 * Z  +  -9.556189 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.911224  0.737866 -1.359654   [DEG:  109.5051   42.2766  -77.9024 ]
ZXZ: -1.373568  1.415101 -2.392537   [DEG:  -78.6997   81.0793 -137.0823 ]
 
# END of job
