
#######################################################
#                                                     #
#                        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   87 (  616),  selected   87 , name one
# Molecule2: number of CA atoms   87 (  616),  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       1_A - 87_A        1.45     1.45
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       1_A - 87_A        1.45     1.45
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       3_A - 87_A        0.91     1.50
  LCS_AVERAGE:     95.53

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     G     1_A     G     1_A      3   87   87      0    3    4    7   11   24   44   61   85   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S     2_A     S     2_A      3   87   87      0    3    3    3   10   24   49   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A     3_A     A     3_A     85   87   87      3    4    4    4    5   17   33   68   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D     4_A     D     4_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L     5_A     L     5_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A     6_A     A     6_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     H     7_A     H     7_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G     8_A     G     8_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K     9_A     K     9_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    10_A     A    10_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     I    11_A     I    11_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     F    12_A     F    12_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    13_A     A    13_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    14_A     G    14_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    15_A     N    15_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     C    16_A     C    16_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    17_A     A    17_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    18_A     A    18_A     85   87   87     32   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     C    19_A     C    19_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     H    20_A     H    20_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    21_A     N    21_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    22_A     G    22_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    23_A     G    23_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L    24_A     L    24_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    25_A     N    25_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    26_A     A    26_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     I    27_A     I    27_A     85   87   87     61   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    28_A     N    28_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     P    29_A     P    29_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S    30_A     S    30_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    31_A     K    31_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     T    32_A     T    32_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L    33_A     L    33_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    34_A     K    34_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     M    35_A     M    35_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    36_A     A    36_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    37_A     D    37_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L    38_A     L    38_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     E    39_A     E    39_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    40_A     A    40_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    41_A     N    41_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    42_A     G    42_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    43_A     K    43_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    44_A     N    44_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S    45_A     S    45_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     V    46_A     V    46_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    47_A     A    47_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    48_A     A    48_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     I    49_A     I    49_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     V    50_A     V    50_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    51_A     A    51_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     Q    52_A     Q    52_A     85   87   87     42   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     I    53_A     I    53_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     T    54_A     T    54_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    55_A     N    55_A     85   87   87     20   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    56_A     G    56_A     85   87   87     25   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    57_A     N    57_A     85   87   87     61   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    58_A     G    58_A     85   87   87     20   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    59_A     A    59_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     M    60_A     M    60_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     P    61_A     P    61_A     85   87   87     39   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    62_A     G    62_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     F    63_A     F    63_A     85   87   87     61   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    64_A     K    64_A     85   87   87     19   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    65_A     G    65_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     R    66_A     R    66_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     I    67_A     I    67_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S    68_A     S    68_A     85   87   87     19   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    69_A     D    69_A     85   87   87     19   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S    70_A     S    70_A     85   87   87     18   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    71_A     D    71_A     85   87   87     16   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     M    72_A     M    72_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     E    73_A     E    73_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    74_A     D    74_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     V    75_A     V    75_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    76_A     A    76_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    77_A     A    77_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     Y    78_A     Y    78_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     V    79_A     V    79_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L    80_A     L    80_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    81_A     D    81_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     Q    82_A     Q    82_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    83_A     A    83_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     E    84_A     E    84_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    85_A     K    85_A     85   87   87     32   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    86_A     G    86_A     85   87   87     39   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     W    87_A     W    87_A     85   87   87     62   84   84   84   84   84   84   85   86   87   87   87   87   87   87   87   87   87   87   87 
LCS_AVERAGE  LCS_A:  98.51  (  95.53  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     62     84     84     84     84     84     84     85     86     87     87     87     87     87     87     87     87     87     87     87 
GDT PERCENT_AT  71.26  96.55  96.55  96.55  96.55  96.55  96.55  97.70  98.85 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.46   0.46   0.46   0.46   0.46   0.46   0.92   1.18   1.45   1.45   1.45   1.45   1.45   1.45   1.45   1.45   1.45   1.45   1.45
GDT RMS_ALL_AT   1.52   1.54   1.54   1.54   1.54   1.54   1.54   1.49   1.46   1.45   1.45   1.45   1.45   1.45   1.45   1.45   1.45   1.45   1.45   1.45

# Checking swapping
#   possible swapping detected:  D     4_A      D     4_A
#   possible swapping detected:  E    84_A      E    84_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     8.474     0    0.516   0.516    10.445    6.310    6.310
LGA    S     2_A      S     2_A     7.146     0    0.647   0.793     7.951    8.571    9.048
LGA    A     3_A      A     3_A     7.048     0    0.630   0.607     8.668   19.405   16.095
LGA    D     4_A      D     4_A     0.281     0    0.575   1.211     6.168   89.286   63.214
LGA    L     5_A      L     5_A     0.256     0    0.060   0.075     0.464  100.000  100.000
LGA    A     6_A      A     6_A     0.440     0    0.056   0.067     0.585  100.000   98.095
LGA    H     7_A      H     7_A     0.505     0    0.019   0.952     4.101   95.238   75.524
LGA    G     8_A      G     8_A     0.282     0    0.038   0.038     0.358  100.000  100.000
LGA    K     9_A      K     9_A     0.319     0    0.015   0.060     0.911  100.000   96.825
LGA    A    10_A      A    10_A     0.300     0    0.032   0.041     0.398  100.000  100.000
LGA    I    11_A      I    11_A     0.395     0    0.028   0.703     2.320  100.000   92.024
LGA    F    12_A      F    12_A     0.422     0    0.020   0.095     0.509   97.619   99.134
LGA    A    13_A      A    13_A     0.376     0    0.033   0.031     0.421  100.000  100.000
LGA    G    14_A      G    14_A     0.317     0    0.073   0.073     0.369  100.000  100.000
LGA    N    15_A      N    15_A     0.317     0    0.031   0.032     0.492  100.000  100.000
LGA    C    16_A      C    16_A     0.144     0    0.036   0.073     0.261  100.000  100.000
LGA    A    17_A      A    17_A     0.463     0    0.013   0.027     0.676   95.238   94.286
LGA    A    18_A      A    18_A     0.793     0    0.061   0.066     1.117   88.214   86.857
LGA    C    19_A      C    19_A     0.506     0    0.015   0.156     0.804   95.238   93.651
LGA    H    20_A      H    20_A     0.172     0    0.128   0.115     0.480  100.000  100.000
LGA    N    21_A      N    21_A     0.342     0    0.032   0.437     1.361  100.000   96.488
LGA    G    22_A      G    22_A     0.512     0    0.048   0.048     0.512   97.619   97.619
LGA    G    23_A      G    23_A     0.438     0    0.017   0.017     0.445  100.000  100.000
LGA    L    24_A      L    24_A     0.124     0    0.025   0.119     1.138  100.000   95.298
LGA    N    25_A      N    25_A     0.088     0    0.072   0.110     0.293  100.000  100.000
LGA    A    26_A      A    26_A     0.330     0    0.163   0.170     0.783   97.619   98.095
LGA    I    27_A      I    27_A     0.579     0    0.011   0.135     1.171   90.595   89.464
LGA    N    28_A      N    28_A     0.573     0    0.044   0.096     0.694   95.238   92.857
LGA    P    29_A      P    29_A     0.416     0    0.033   0.317     1.129   97.619   93.265
LGA    S    30_A      S    30_A     0.539     0    0.015   0.077     0.689   95.238   93.651
LGA    K    31_A      K    31_A     0.181     0    0.037   0.307     1.164  100.000   97.937
LGA    T    32_A      T    32_A     0.244     0    0.012   0.159     0.581  100.000   98.639
LGA    L    33_A      L    33_A     0.054     0    0.033   0.050     0.210  100.000  100.000
LGA    K    34_A      K    34_A     0.296     0    0.026   0.632     3.590  100.000   83.810
LGA    M    35_A      M    35_A     0.350     0    0.078   1.064     5.304  100.000   82.500
LGA    A    36_A      A    36_A     0.491     0    0.022   0.029     0.671   95.238   94.286
LGA    D    37_A      D    37_A     0.570     0    0.019   0.164     1.174   90.476   89.345
LGA    L    38_A      L    38_A     0.431     0    0.018   0.111     0.444  100.000  100.000
LGA    E    39_A      E    39_A     0.421     0    0.015   0.736     3.574  100.000   82.011
LGA    A    40_A      A    40_A     0.398     0    0.054   0.053     0.542   97.619   98.095
LGA    N    41_A      N    41_A     0.495     0    0.015   0.206     0.808   97.619   97.619
LGA    G    42_A      G    42_A     0.449     0    0.053   0.053     0.652   95.238   95.238
LGA    K    43_A      K    43_A     0.500     0    0.044   0.708     4.049   97.619   83.968
LGA    N    44_A      N    44_A     0.407     0    0.026   1.216     4.946  100.000   78.631
LGA    S    45_A      S    45_A     0.409     0    0.017   0.054     0.448  100.000  100.000
LGA    V    46_A      V    46_A     0.407     0    0.019   0.980     2.691  100.000   88.639
LGA    A    47_A      A    47_A     0.372     0    0.022   0.024     0.373  100.000  100.000
LGA    A    48_A      A    48_A     0.345     0    0.057   0.062     0.374  100.000  100.000
LGA    I    49_A      I    49_A     0.287     0    0.053   0.073     0.395  100.000  100.000
LGA    V    50_A      V    50_A     0.303     0    0.038   0.037     0.368  100.000  100.000
LGA    A    51_A      A    51_A     0.377     0    0.021   0.024     0.563   97.619   98.095
LGA    Q    52_A      Q    52_A     0.554     0    0.033   0.589     1.529   97.619   91.693
LGA    I    53_A      I    53_A     0.229     0    0.038   0.066     0.794  100.000   96.429
LGA    T    54_A      T    54_A     0.536     0    0.025   0.090     0.656   92.857   94.558
LGA    N    55_A      N    55_A     0.685     0    0.048   0.306     1.143   90.476   89.345
LGA    G    56_A      G    56_A     0.749     0    0.029   0.029     0.749   90.476   90.476
LGA    N    57_A      N    57_A     0.596     0    0.088   0.543     1.405   92.857   89.405
LGA    G    58_A      G    58_A     0.968     0    0.085   0.085     0.968   90.476   90.476
LGA    A    59_A      A    59_A     0.445     0    0.059   0.078     0.656   97.619   96.190
LGA    M    60_A      M    60_A     0.355     0    0.019   0.064     0.570  100.000   97.619
LGA    P    61_A      P    61_A     0.671     0    0.024   0.366     0.994   95.238   94.558
LGA    G    62_A      G    62_A     0.434     0    0.042   0.042     0.507   95.238   95.238
LGA    F    63_A      F    63_A     0.543     0    0.061   0.091     0.684   92.857   96.537
LGA    K    64_A      K    64_A     0.751     0    0.055   0.523     2.089   90.476   85.820
LGA    G    65_A      G    65_A     0.427     0    0.030   0.030     0.581   97.619   97.619
LGA    R    66_A      R    66_A     0.233     0    0.044   0.192     0.441  100.000  100.000
LGA    I    67_A      I    67_A     0.491     0    0.054   0.103     0.940   95.238   96.429
LGA    S    68_A      S    68_A     0.823     0    0.041   0.098     0.881   90.476   90.476
LGA    D    69_A      D    69_A     1.040     0    0.050   0.482     3.389   88.214   77.738
LGA    S    70_A      S    70_A     1.237     0    0.072   0.789     1.590   83.690   80.079
LGA    D    71_A      D    71_A     0.939     0    0.031   0.169     1.375   88.214   85.952
LGA    M    72_A      M    72_A     0.555     0    0.026   0.715     2.280   92.857   87.321
LGA    E    73_A      E    73_A     0.498     0    0.035   0.737     3.908  100.000   81.270
LGA    D    74_A      D    74_A     0.307     0    0.022   0.044     0.466  100.000  100.000
LGA    V    75_A      V    75_A     0.368     0    0.028   0.297     0.856  100.000   97.279
LGA    A    76_A      A    76_A     0.372     0    0.016   0.017     0.403  100.000  100.000
LGA    A    77_A      A    77_A     0.294     0    0.018   0.019     0.405  100.000  100.000
LGA    Y    78_A      Y    78_A     0.282     0    0.020   0.088     0.562  100.000   99.206
LGA    V    79_A      V    79_A     0.194     0    0.007   0.036     0.334  100.000  100.000
LGA    L    80_A      L    80_A     0.317     0    0.073   0.211     0.607  100.000   96.429
LGA    D    81_A      D    81_A     0.411     0    0.022   0.093     0.789  100.000   96.429
LGA    Q    82_A      Q    82_A     0.242     0    0.027   1.056     2.429  100.000   92.169
LGA    A    83_A      A    83_A     0.221     0    0.040   0.049     0.222  100.000  100.000
LGA    E    84_A      E    84_A     0.593     0    0.030   1.168     4.783   92.857   73.280
LGA    K    85_A      K    85_A     0.880     0    0.012   0.979     4.035   90.476   78.836
LGA    G    86_A      G    86_A     0.749     0    0.609   0.609     3.600   76.429   76.429
LGA    W    87_A      W    87_A     0.215     0    0.107   0.156     0.884   97.619   99.320

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       87     348    348  100.00     616    616  100.00                87
SUMMARY(RMSD_GDC):     1.454          1.444                  1.544           93.797   90.474

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   87   87    4.0     85    0.92    97.701    98.417     8.361

LGA_LOCAL      RMSD:   0.917  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.489  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   1.454  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.241790 * X  +   0.710178 * Y  +  -0.661199 * Z  +   1.170262
  Y_new =   0.650013 * X  +  -0.624473 * Y  +  -0.433032 * Z  +  64.369308
  Z_new =  -0.720431 * X  +  -0.325085 * Y  +  -0.612617 * Z  +  36.916164 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.214678  0.804423 -2.653727   [DEG:   69.5959   46.0900 -152.0473 ]
ZXZ: -0.990971  2.230164 -1.994678   [DEG:  -56.7784  127.7790 -114.2867 ]
 
# END of job
