
#######################################################
#                                                     #
#                        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  103 (  821),  selected   79 , name one
# Molecule2: number of CA atoms   79 (  633),  selected   79 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79      23_A - 101_A       1.41     1.41
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79      23_A - 101_A       1.41     1.41
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78      23_A - 100_A       0.94     1.44
  LCS_AVERAGE:     97.55

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     G    23_A     G    23_A     78   79   79     27   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    24_A     G    24_A     78   79   79      4    9   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     S    25_A     S    25_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     M    26_A     M    26_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    27_A     K    27_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    28_A     I    28_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    29_A     Y    29_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    30_A     V    30_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    31_A     K    31_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    32_A     L    32_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    33_A     Q    33_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    34_A     D    34_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    35_A     G    35_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     T    36_A     T    36_A     78   79   79     33   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    37_A     V    37_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    38_A     I    38_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    39_A     E    39_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    40_A     L    40_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    41_A     E    41_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    42_A     V    42_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    43_A     E    43_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    44_A     P    44_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     S    45_A     S    45_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    46_A     D    46_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     T    47_A     T    47_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    48_A     I    48_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    49_A     L    49_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    50_A     E    50_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    51_A     V    51_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    52_A     K    52_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    53_A     E    53_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    54_A     K    54_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    55_A     I    55_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    56_A     Y    56_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    57_A     E    57_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    58_A     K    58_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     T    59_A     T    59_A     78   79   79     41   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    60_A     G    60_A     78   79   79     64   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    61_A     I    61_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    62_A     P    62_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    63_A     P    63_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    64_A     E    64_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    65_A     D    65_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    66_A     Q    66_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    67_A     I    67_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    68_A     L    68_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    69_A     I    69_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    70_A     Y    70_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    71_A     K    71_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    72_A     G    72_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    73_A     K    73_A     78   79   79     60   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    74_A     V    74_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    75_A     L    75_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    76_A     E    76_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    77_A     D    77_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     S    78_A     S    78_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    79_A     K    79_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     T    80_A     T    80_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    81_A     L    81_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     A    82_A     A    82_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    83_A     D    83_A     78   79   79     64   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    84_A     Y    84_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     N    85_A     N    85_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    86_A     I    86_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    87_A     Q    87_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    88_A     E    88_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     N    89_A     N    89_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    90_A     D    90_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    91_A     V    91_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    92_A     L    92_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    93_A     Y    93_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    94_A     L    94_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    95_A     V    95_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    96_A     R    96_A     78   79   79     65   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    97_A     R    97_A     78   79   79     30   74   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    98_A     L    98_A     78   79   79      3   66   74   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    99_A     K    99_A     78   79   79      3   52   74   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     S   100_A     S   100_A     78   79   79      3    5    7   10   12   76   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     P   101_A     P   101_A      4   79   79      3    5    7    8    9   13   14   20   25   51   59   79   79   79   79   79   79   79   79   79 
LCS_AVERAGE  LCS_A:  99.18  (  97.55  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     65     74     75     76     77     77     78     78     78     78     78     79     79     79     79     79     79     79     79     79 
GDT PERCENT_AT  82.28  93.67  94.94  96.20  97.47  97.47  98.73  98.73  98.73  98.73  98.73 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.37   0.45   0.53   0.58   0.58   0.94   0.94   0.94   0.94   0.94   1.41   1.41   1.41   1.41   1.41   1.41   1.41   1.41   1.41
GDT RMS_ALL_AT   1.55   1.54   1.54   1.49   1.49   1.49   1.44   1.44   1.44   1.44   1.44   1.41   1.41   1.41   1.41   1.41   1.41   1.41   1.41   1.41

# Checking swapping
#   possible swapping detected:  Y    29_A      Y    29_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  E    43_A      E    43_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  Y    56_A      Y    56_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  Y    70_A      Y    70_A
#   possible swapping detected:  E    76_A      E    76_A
#   possible swapping detected:  E    88_A      E    88_A
#   possible swapping detected:  Y    93_A      Y    93_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    23_A      G    23_A     1.337     0    0.461   0.461     3.612   67.738   67.738
LGA    G    24_A      G    24_A     2.335     0    0.320   0.320     2.335   77.262   77.262
LGA    S    25_A      S    25_A     0.526     0    0.032   0.719     2.467   90.595   86.270
LGA    M    26_A      M    26_A     0.490     0    0.034   0.095     0.780   97.619   95.238
LGA    K    27_A      K    27_A     0.231     0    0.014   0.702     3.042  100.000   89.365
LGA    I    28_A      I    28_A     0.083     0    0.037   0.043     0.171  100.000  100.000
LGA    Y    29_A      Y    29_A     0.092     0    0.047   0.211     0.918  100.000   97.619
LGA    V    30_A      V    30_A     0.478     0    0.012   0.053     0.616  100.000   97.279
LGA    K    31_A      K    31_A     0.490     0    0.052   0.416     1.213   97.619   93.704
LGA    L    32_A      L    32_A     0.616     0    0.009   1.031     2.415   90.476   82.917
LGA    Q    33_A      Q    33_A     0.633     0    0.045   1.305     5.110   90.476   67.143
LGA    D    34_A      D    34_A     0.730     0    0.020   0.284     1.028   90.476   89.345
LGA    G    35_A      G    35_A     0.741     0    0.050   0.050     0.966   90.476   90.476
LGA    T    36_A      T    36_A     1.260     0    0.068   1.063     3.286   88.214   79.592
LGA    V    37_A      V    37_A     0.570     0    0.013   0.091     0.733   90.476   91.837
LGA    I    38_A      I    38_A     0.440     0    0.026   0.033     0.710  100.000   95.238
LGA    E    39_A      E    39_A     0.386     0    0.013   0.505     1.966  100.000   92.751
LGA    L    40_A      L    40_A     0.204     0    0.030   0.161     0.900  100.000   96.429
LGA    E    41_A      E    41_A     0.377     0    0.014   0.752     2.776  100.000   90.053
LGA    V    42_A      V    42_A     0.377     0    0.082   0.106     0.849   97.619   98.639
LGA    E    43_A      E    43_A     0.341     0    0.061   1.042     3.903   97.619   81.693
LGA    P    44_A      P    44_A     0.631     0    0.026   0.038     0.744   90.476   90.476
LGA    S    45_A      S    45_A     0.532     0    0.074   0.377     1.788   90.476   87.540
LGA    D    46_A      D    46_A     0.352     0    0.023   0.225     1.174  100.000   96.488
LGA    T    47_A      T    47_A     0.264     0    0.040   0.063     0.609  100.000   98.639
LGA    I    48_A      I    48_A     0.276     0    0.019   0.068     0.363  100.000  100.000
LGA    L    49_A      L    49_A     0.652     0    0.060   0.117     0.880   90.476   90.476
LGA    E    50_A      E    50_A     0.600     0    0.030   0.371     1.663   92.857   89.577
LGA    V    51_A      V    51_A     0.467     0    0.010   0.043     0.532   97.619   97.279
LGA    K    52_A      K    52_A     0.471     0    0.019   0.178     1.150  100.000   93.704
LGA    E    53_A      E    53_A     0.401     0    0.073   0.083     0.891  100.000   95.767
LGA    K    54_A      K    54_A     0.391     0    0.018   0.521     1.612  100.000   93.810
LGA    I    55_A      I    55_A     0.361     0    0.019   0.046     0.572  100.000   98.810
LGA    Y    56_A      Y    56_A     0.237     0    0.027   0.098     0.299  100.000  100.000
LGA    E    57_A      E    57_A     0.316     0    0.017   0.876     3.139  100.000   88.413
LGA    K    58_A      K    58_A     0.376     0    0.035   0.628     3.088  100.000   88.307
LGA    T    59_A      T    59_A     0.573     0    0.035   0.051     0.699   92.857   93.197
LGA    G    60_A      G    60_A     0.359     0    0.040   0.040     0.406  100.000  100.000
LGA    I    61_A      I    61_A     0.116     0    0.011   0.055     0.312  100.000  100.000
LGA    P    62_A      P    62_A     0.211     0    0.019   0.040     0.391  100.000  100.000
LGA    P    63_A      P    63_A     0.418     0    0.017   0.025     0.513   97.619   98.639
LGA    E    64_A      E    64_A     0.417     0    0.032   1.114     4.511  100.000   83.333
LGA    D    65_A      D    65_A     0.375     0    0.057   0.087     0.407  100.000  100.000
LGA    Q    66_A      Q    66_A     0.435     0    0.025   0.065     0.537  100.000   96.825
LGA    I    67_A      I    67_A     0.310     0    0.077   0.098     0.439  100.000  100.000
LGA    L    68_A      L    68_A     0.368     0    0.007   0.116     0.661  100.000   97.619
LGA    I    69_A      I    69_A     0.355     0    0.032   0.064     0.737  100.000   95.238
LGA    Y    70_A      Y    70_A     0.253     0    0.035   0.118     0.787  100.000   97.619
LGA    K    71_A      K    71_A     0.336     0    0.039   0.188     1.057  100.000   97.937
LGA    G    72_A      G    72_A     0.628     0    0.088   0.088     0.882   92.857   92.857
LGA    K    73_A      K    73_A     0.719     0    0.033   0.612     1.811   95.238   85.714
LGA    V    74_A      V    74_A     0.417     0    0.017   0.069     0.510  100.000   98.639
LGA    L    75_A      L    75_A     0.402     0    0.014   0.049     0.402  100.000  100.000
LGA    E    76_A      E    76_A     0.372     0    0.013   0.425     1.121  100.000   96.878
LGA    D    77_A      D    77_A     0.488     0    0.033   0.130     0.672   95.238   97.619
LGA    S    78_A      S    78_A     0.450     0    0.059   0.066     0.782   97.619   98.413
LGA    K    79_A      K    79_A     0.100     0    0.028   0.712     3.019  100.000   89.365
LGA    T    80_A      T    80_A     0.110     0    0.010   0.051     0.391  100.000  100.000
LGA    L    81_A      L    81_A     0.268     0    0.016   0.070     0.535   97.619   98.810
LGA    A    82_A      A    82_A     0.606     0    0.025   0.028     0.691   90.476   90.476
LGA    D    83_A      D    83_A     0.652     0    0.056   0.236     1.176   90.476   90.536
LGA    Y    84_A      Y    84_A     0.597     0    0.024   0.079     0.624   90.476   96.032
LGA    N    85_A      N    85_A     0.556     0    0.044   0.476     1.544   90.476   89.464
LGA    I    86_A      I    86_A     0.376     0    0.041   0.088     0.774   95.238   97.619
LGA    Q    87_A      Q    87_A     0.616     0    0.014   0.358     1.166   97.619   92.646
LGA    E    88_A      E    88_A     0.320     0    0.017   0.899     3.204  100.000   89.259
LGA    N    89_A      N    89_A     0.134     0    0.018   0.181     0.375  100.000  100.000
LGA    D    90_A      D    90_A     0.227     0    0.017   0.184     1.131  100.000   95.298
LGA    V    91_A      V    91_A     0.307     0    0.039   0.071     0.538  100.000   98.639
LGA    L    92_A      L    92_A     0.379     0    0.055   0.117     0.618   97.619   97.619
LGA    Y    93_A      Y    93_A     0.224     0    0.018   0.098     0.659  100.000   98.413
LGA    L    94_A      L    94_A     0.356     0    0.036   0.062     0.528  100.000   98.810
LGA    V    95_A      V    95_A     0.371     0    0.026   0.035     0.384  100.000  100.000
LGA    R    96_A      R    96_A     0.466     0    0.035   0.341     2.598   95.238   82.078
LGA    R    97_A      R    97_A     0.697     0    0.110   0.697     2.298   90.476   84.069
LGA    L    98_A      L    98_A     1.578     0    0.040   0.187     3.800   79.286   66.548
LGA    K    99_A      K    99_A     2.035     0    0.069   0.916     8.869   53.095   39.841
LGA    S   100_A      S   100_A     6.269     0    0.051   0.677     7.405   19.405   16.825
LGA    P   101_A      P   101_A     9.728     0    0.223   0.255    11.235    1.310    1.156

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       79     316    316  100.00     633    633  100.00                79
SUMMARY(RMSD_GDC):     1.412          1.467                  1.636           93.529   90.049

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  103   79    4.0     78    0.94    97.152    98.229     7.508

LGA_LOCAL      RMSD:   0.939  Number of atoms:   78  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.438  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   1.412  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.529839 * X  +  -0.825118 * Y  +   0.196088 * Z  +  13.502358
  Y_new =  -0.783446 * X  +   0.564728 * Y  +   0.259412 * Z  +  22.201719
  Z_new =  -0.324782 * X  +  -0.016178 * Y  +  -0.945651 * Z  +  15.427286 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.165433  0.330781 -3.124486   [DEG: -124.0702   18.9524 -179.0199 ]
ZXZ:  2.494328  2.810386 -1.620568   [DEG:  142.9145  161.0232  -92.8517 ]
 
# END of job
