
#######################################################
#                                                     #
#                        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        2.12     2.12
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       2_A - 87_A        1.36     2.15
  LCS_AVERAGE:     97.77

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       3_A - 87_A        0.98     2.20
  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    4   87      3    3    3    4    4    6    7   10   11   21   23   27   28   40   57   61   74   77   87   87 
LCS_GDT     S     2_A     S     2_A      3   86   87      3    3    3    6   12   18   33   53   81   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A     3_A     A     3_A     85   86   87      3    3    4    4    4   11   25   52   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     D     4_A     D     4_A     85   86   87     54   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     L     5_A     L     5_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A     6_A     A     6_A     85   86   87     59   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     H     7_A     H     7_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     G     8_A     G     8_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     K     9_A     K     9_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    10_A     A    10_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     I    11_A     I    11_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     F    12_A     F    12_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    13_A     A    13_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     G    14_A     G    14_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     N    15_A     N    15_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     C    16_A     C    16_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    17_A     A    17_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    18_A     A    18_A     85   86   87     22   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     C    19_A     C    19_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     H    20_A     H    20_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     N    21_A     N    21_A     85   86   87     51   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     G    22_A     G    22_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     G    23_A     G    23_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     L    24_A     L    24_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     N    25_A     N    25_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    26_A     A    26_A     85   86   87     52   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     I    27_A     I    27_A     85   86   87     51   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     N    28_A     N    28_A     85   86   87     58   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     P    29_A     P    29_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     S    30_A     S    30_A     85   86   87     22   65   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     K    31_A     K    31_A     85   86   87     30   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     T    32_A     T    32_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     L    33_A     L    33_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     K    34_A     K    34_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     M    35_A     M    35_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    36_A     A    36_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     D    37_A     D    37_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     L    38_A     L    38_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     E    39_A     E    39_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    40_A     A    40_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     N    41_A     N    41_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     G    42_A     G    42_A     85   86   87     25   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     K    43_A     K    43_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     N    44_A     N    44_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     S    45_A     S    45_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     V    46_A     V    46_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    47_A     A    47_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    48_A     A    48_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     I    49_A     I    49_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     V    50_A     V    50_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    51_A     A    51_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     Q    52_A     Q    52_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     I    53_A     I    53_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     T    54_A     T    54_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     N    55_A     N    55_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     G    56_A     G    56_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     N    57_A     N    57_A     85   86   87     16   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     G    58_A     G    58_A     85   86   87     61   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    59_A     A    59_A     85   86   87     52   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     M    60_A     M    60_A     85   86   87     52   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     P    61_A     P    61_A     85   86   87     16   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     G    62_A     G    62_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     F    63_A     F    63_A     85   86   87     56   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     K    64_A     K    64_A     85   86   87     25   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     G    65_A     G    65_A     85   86   87     25   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     R    66_A     R    66_A     85   86   87     25   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     I    67_A     I    67_A     85   86   87      9   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     S    68_A     S    68_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     D    69_A     D    69_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     S    70_A     S    70_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     D    71_A     D    71_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     M    72_A     M    72_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     E    73_A     E    73_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     D    74_A     D    74_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     V    75_A     V    75_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    76_A     A    76_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    77_A     A    77_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     Y    78_A     Y    78_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     V    79_A     V    79_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     L    80_A     L    80_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     D    81_A     D    81_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     Q    82_A     Q    82_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    83_A     A    83_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     E    84_A     E    84_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     K    85_A     K    85_A     85   86   87     24   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     G    86_A     G    86_A     85   86   87     13   69   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     W    87_A     W    87_A     85   86   87     62   80   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_AVERAGE  LCS_A:  97.77  (  95.53   97.77  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     80     84     84     84     84     84     84     85     86     86     86     86     86     86     86     86     86     87     87 
GDT PERCENT_AT  71.26  91.95  96.55  96.55  96.55  96.55  96.55  96.55  97.70  98.85  98.85  98.85  98.85  98.85  98.85  98.85  98.85  98.85 100.00 100.00
GDT RMS_LOCAL    0.34   0.44   0.52   0.52   0.52   0.52   0.52   0.52   0.98   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   2.12   2.12
GDT RMS_ALL_AT   2.26   2.24   2.25   2.25   2.25   2.25   2.25   2.25   2.20   2.15   2.15   2.15   2.15   2.15   2.15   2.15   2.15   2.15   2.12   2.12

# Checking swapping
#   possible swapping detected:  D     4_A      D     4_A
#   possible swapping detected:  F    12_A      F    12_A
#   possible swapping detected:  E    39_A      E    39_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    16.331     0    0.070   0.070    18.051    0.000    0.000
LGA    S     2_A      S     2_A     9.395     0    0.160   0.506    11.828    0.714    6.508
LGA    A     3_A      A     3_A     7.822     0    0.634   0.601     9.360   15.476   12.667
LGA    D     4_A      D     4_A     0.740     0    0.573   1.352     5.536   82.738   62.976
LGA    L     5_A      L     5_A     0.509     0    0.068   0.075     0.616   95.238   92.857
LGA    A     6_A      A     6_A     0.552     0    0.034   0.036     0.784   95.238   94.286
LGA    H     7_A      H     7_A     0.511     0    0.037   1.090     2.495   95.238   85.381
LGA    G     8_A      G     8_A     0.324     0    0.032   0.032     0.398  100.000  100.000
LGA    K     9_A      K     9_A     0.252     0    0.014   0.060     0.815  100.000   97.884
LGA    A    10_A      A    10_A     0.332     0    0.006   0.011     0.509  100.000   98.095
LGA    I    11_A      I    11_A     0.195     0    0.033   0.103     0.872  100.000   98.810
LGA    F    12_A      F    12_A     0.164     0    0.026   0.063     0.225  100.000  100.000
LGA    A    13_A      A    13_A     0.182     0    0.019   0.022     0.342  100.000  100.000
LGA    G    14_A      G    14_A     0.346     0    0.046   0.046     0.535   97.619   97.619
LGA    N    15_A      N    15_A     0.129     0    0.040   0.344     1.156  100.000   95.298
LGA    C    16_A      C    16_A     0.535     0    0.048   0.124     0.749   92.857   92.063
LGA    A    17_A      A    17_A     0.584     0    0.039   0.044     0.971   90.476   90.476
LGA    A    18_A      A    18_A     1.211     0    0.067   0.071     1.602   83.690   81.524
LGA    C    19_A      C    19_A     0.533     0    0.044   0.150     0.839   95.238   93.651
LGA    H    20_A      H    20_A     0.290     0    0.150   0.146     0.375  100.000  100.000
LGA    N    21_A      N    21_A     0.681     0    0.039   0.282     1.198   92.857   87.143
LGA    G    22_A      G    22_A     0.463     0    0.096   0.096     0.463  100.000  100.000
LGA    G    23_A      G    23_A     0.356     0    0.044   0.044     0.368  100.000  100.000
LGA    L    24_A      L    24_A     0.326     0    0.078   0.103     1.059  100.000   94.107
LGA    N    25_A      N    25_A     0.367     0    0.049   0.100     0.684   97.619   97.619
LGA    A    26_A      A    26_A     0.660     0    0.215   0.226     1.684   88.452   87.048
LGA    I    27_A      I    27_A     0.691     0    0.018   0.087     1.371   90.476   88.214
LGA    N    28_A      N    28_A     0.471     0    0.080   1.326     4.757  100.000   79.821
LGA    P    29_A      P    29_A     0.380     0    0.725   0.634     2.905   84.524   84.490
LGA    S    30_A      S    30_A     1.521     0    0.013   0.047     2.182   79.405   74.524
LGA    K    31_A      K    31_A     0.766     0    0.080   0.992     3.415   90.476   78.254
LGA    T    32_A      T    32_A     0.195     0    0.035   0.066     0.316  100.000  100.000
LGA    L    33_A      L    33_A     0.240     0    0.010   0.141     0.462  100.000  100.000
LGA    K    34_A      K    34_A     0.227     0    0.046   0.919     4.918  100.000   83.704
LGA    M    35_A      M    35_A     0.122     0    0.024   0.082     0.567  100.000   98.810
LGA    A    36_A      A    36_A     0.136     0    0.013   0.014     0.244  100.000  100.000
LGA    D    37_A      D    37_A     0.269     0    0.017   0.141     0.416  100.000  100.000
LGA    L    38_A      L    38_A     0.192     0    0.017   0.061     0.362  100.000  100.000
LGA    E    39_A      E    39_A     0.276     0    0.021   0.929     2.960   97.619   82.434
LGA    A    40_A      A    40_A     0.471     0    0.071   0.074     0.754   95.238   94.286
LGA    N    41_A      N    41_A     0.487     0    0.025   0.272     1.028   95.238   95.298
LGA    G    42_A      G    42_A     0.557     0    0.019   0.019     0.610   90.476   90.476
LGA    K    43_A      K    43_A     0.477     0    0.074   0.597     1.673   97.619   91.746
LGA    N    44_A      N    44_A     0.317     0    0.264   0.216     1.450   92.976   91.786
LGA    S    45_A      S    45_A     0.310     0    0.023   0.072     0.459  100.000  100.000
LGA    V    46_A      V    46_A     0.181     0    0.021   0.037     0.524  100.000   98.639
LGA    A    47_A      A    47_A     0.323     0    0.008   0.014     0.459  100.000  100.000
LGA    A    48_A      A    48_A     0.504     0    0.045   0.052     0.583   95.238   94.286
LGA    I    49_A      I    49_A     0.392     0    0.020   0.071     0.486  100.000  100.000
LGA    V    50_A      V    50_A     0.253     0    0.017   0.035     0.308  100.000  100.000
LGA    A    51_A      A    51_A     0.382     0    0.019   0.027     0.391  100.000  100.000
LGA    Q    52_A      Q    52_A     0.452     0    0.000   0.792     2.801  100.000   88.042
LGA    I    53_A      I    53_A     0.383     0    0.010   0.048     0.435  100.000  100.000
LGA    T    54_A      T    54_A     0.371     0    0.027   0.033     0.480  100.000  100.000
LGA    N    55_A      N    55_A     0.314     0    0.031   0.115     0.749  100.000   96.429
LGA    G    56_A      G    56_A     0.258     0    0.022   0.022     0.527   97.619   97.619
LGA    N    57_A      N    57_A     0.719     0    0.160   0.537     2.275   92.857   86.190
LGA    G    58_A      G    58_A     0.468     0    0.029   0.029     0.692   92.857   92.857
LGA    A    59_A      A    59_A     0.627     0    0.119   0.127     1.028   97.619   94.381
LGA    M    60_A      M    60_A     0.569     0    0.009   0.115     0.723   92.857   91.667
LGA    P    61_A      P    61_A     0.614     0    0.034   0.038     0.913   95.238   93.197
LGA    G    62_A      G    62_A     0.394     0    0.048   0.048     0.473  100.000  100.000
LGA    F    63_A      F    63_A     0.582     0    0.068   0.094     1.072   90.476   88.831
LGA    K    64_A      K    64_A     0.689     0    0.016   0.973     7.023   92.857   70.529
LGA    G    65_A      G    65_A     0.852     0    0.038   0.038     1.046   88.214   88.214
LGA    R    66_A      R    66_A     0.730     0    0.134   1.230     4.951   90.476   66.883
LGA    I    67_A      I    67_A     0.625     0    0.105   1.125     2.638   90.476   81.905
LGA    S    68_A      S    68_A     0.200     0    0.050   0.084     0.311  100.000  100.000
LGA    D    69_A      D    69_A     0.273     0    0.007   0.241     1.270  100.000   96.488
LGA    S    70_A      S    70_A     0.334     0    0.033   0.722     1.766   97.619   92.302
LGA    D    71_A      D    71_A     0.474     0    0.072   0.255     1.413  100.000   92.976
LGA    M    72_A      M    72_A     0.296     0    0.027   0.133     0.567  100.000   98.810
LGA    E    73_A      E    73_A     0.329     0    0.017   0.177     0.960  100.000   96.825
LGA    D    74_A      D    74_A     0.392     0    0.014   0.064     0.554  100.000   97.619
LGA    V    75_A      V    75_A     0.452     0    0.035   1.109     2.376  100.000   88.571
LGA    A    76_A      A    76_A     0.373     0    0.009   0.029     0.428  100.000  100.000
LGA    A    77_A      A    77_A     0.352     0    0.019   0.023     0.440  100.000  100.000
LGA    Y    78_A      Y    78_A     0.418     0    0.013   0.093     0.497  100.000  100.000
LGA    V    79_A      V    79_A     0.370     0    0.014   0.037     0.439  100.000  100.000
LGA    L    80_A      L    80_A     0.136     0    0.029   0.178     0.463  100.000  100.000
LGA    D    81_A      D    81_A     0.337     0    0.022   0.071     0.478  100.000  100.000
LGA    Q    82_A      Q    82_A     0.416     0    0.010   0.799     2.080  100.000   93.069
LGA    A    83_A      A    83_A     0.388     0    0.013   0.013     0.513   97.619   98.095
LGA    E    84_A      E    84_A     0.506     0    0.035   1.138     4.147   92.857   74.550
LGA    K    85_A      K    85_A     1.181     0    0.020   0.953     2.855   83.690   79.841
LGA    G    86_A      G    86_A     1.467     0    0.567   0.567     3.949   69.762   69.762
LGA    W    87_A      W    87_A     0.330     0    0.466   1.170     6.981   82.381   57.755

# 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):     2.119          2.116                  2.025           92.853   89.267

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   87   87    4.0     84    0.52    95.977    97.108    13.494

LGA_LOCAL      RMSD:   0.522  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.247  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   2.119  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.311337 * X  +   0.215789 * Y  +  -0.925475 * Z  +  -3.225950
  Y_new =   0.764278 * X  +   0.635625 * Y  +  -0.108903 * Z  +  20.254339
  Z_new =   0.564755 * X  +  -0.741226 * Y  +  -0.362816 * Z  +  78.866219 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.957632 -0.600136 -2.025993   [DEG:  112.1640  -34.3853 -116.0809 ]
ZXZ: -1.453662  1.942084  2.490507   [DEG:  -83.2887  111.2732  142.6955 ]
 
# END of job
