
#######################################################
#                                                     #
#                        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        1.98     1.98
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       1_A - 87_A        1.98     1.98
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       3_A - 87_A        0.95     2.05
  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      3    3    3    4    4    7    8    9   16   21   25   27   43   44   67   73   79   87   87   87 
LCS_GDT     S     2_A     S     2_A      3   87   87      3    3    3   20   22   40   50   79   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A     3_A     A     3_A     85   87   87      3    3    4    4    8   34   50   78   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D     4_A     D     4_A     85   87   87     56   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L     5_A     L     5_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A     6_A     A     6_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     H     7_A     H     7_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G     8_A     G     8_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K     9_A     K     9_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    10_A     A    10_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    11_A     I    11_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     F    12_A     F    12_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    13_A     A    13_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    14_A     G    14_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    15_A     N    15_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     C    16_A     C    16_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    17_A     A    17_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    18_A     A    18_A     85   87   87      5   22   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     C    19_A     C    19_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     H    20_A     H    20_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    21_A     N    21_A     85   87   87     48   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    22_A     G    22_A     85   87   87     34   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    23_A     G    23_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    24_A     L    24_A     85   87   87     57   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    25_A     N    25_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    26_A     A    26_A     85   87   87     44   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    27_A     I    27_A     85   87   87     44   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    28_A     N    28_A     85   87   87     36   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     P    29_A     P    29_A     85   87   87     17   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    30_A     S    30_A     85   87   87     17   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    31_A     K    31_A     85   87   87     18   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     T    32_A     T    32_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    33_A     L    33_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    34_A     K    34_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    35_A     M    35_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    36_A     A    36_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    37_A     D    37_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    38_A     L    38_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    39_A     E    39_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    40_A     A    40_A     85   87   87     52   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    41_A     N    41_A     85   87   87     52   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    42_A     G    42_A     85   87   87     13   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    43_A     K    43_A     85   87   87     43   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    44_A     N    44_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    45_A     S    45_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    46_A     V    46_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    47_A     A    47_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    48_A     A    48_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    49_A     I    49_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    50_A     V    50_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    51_A     A    51_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Q    52_A     Q    52_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    53_A     I    53_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     T    54_A     T    54_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    55_A     N    55_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    56_A     G    56_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    57_A     N    57_A     85   87   87     34   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    58_A     G    58_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    59_A     A    59_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    60_A     M    60_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     P    61_A     P    61_A     85   87   87     57   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    62_A     G    62_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     F    63_A     F    63_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    64_A     K    64_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    65_A     G    65_A     85   87   87     52   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     R    66_A     R    66_A     85   87   87     52   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    67_A     I    67_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    68_A     S    68_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    69_A     D    69_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    70_A     S    70_A     85   87   87     25   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    71_A     D    71_A     85   87   87     39   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    72_A     M    72_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    73_A     E    73_A     85   87   87     57   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    74_A     D    74_A     85   87   87     52   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    75_A     V    75_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    76_A     A    76_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    77_A     A    77_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Y    78_A     Y    78_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    79_A     V    79_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    80_A     L    80_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    81_A     D    81_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Q    82_A     Q    82_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    83_A     A    83_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    84_A     E    84_A     85   87   87     58   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    85_A     K    85_A     85   87   87     39   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    86_A     G    86_A     85   87   87     19   76   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     W    87_A     W    87_A     85   87   87     14   82   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   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     58     82     84     84     84     84     84     84     86     86     86     86     86     86     86     86     86     87     87     87 
GDT PERCENT_AT  66.67  94.25  96.55  96.55  96.55  96.55  96.55  96.55  98.85  98.85  98.85  98.85  98.85  98.85  98.85  98.85  98.85 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.48   0.53   0.53   0.53   0.53   0.53   0.53   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.98   1.98   1.98
GDT RMS_ALL_AT   2.12   2.10   2.10   2.10   2.10   2.10   2.10   2.10   2.01   2.01   2.01   2.01   2.01   2.01   2.01   2.01   2.01   1.98   1.98   1.98

# 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    15.164     0    0.078   0.078    16.627    0.000    0.000
LGA    S     2_A      S     2_A     8.585     0    0.080   0.731    10.991    1.429    5.397
LGA    A     3_A      A     3_A     7.439     0    0.639   0.607     9.048   18.214   14.857
LGA    D     4_A      D     4_A     0.507     0    0.566   1.364     5.653   85.119   64.167
LGA    L     5_A      L     5_A     0.304     0    0.081   0.082     0.445  100.000  100.000
LGA    A     6_A      A     6_A     0.465     0    0.044   0.047     0.685  100.000   98.095
LGA    H     7_A      H     7_A     0.442     0    0.039   1.079     2.573  100.000   86.524
LGA    G     8_A      G     8_A     0.111     0    0.084   0.084     0.329  100.000  100.000
LGA    K     9_A      K     9_A     0.305     0    0.000   0.049     0.814  100.000   97.884
LGA    A    10_A      A    10_A     0.487     0    0.009   0.012     0.662  100.000   98.095
LGA    I    11_A      I    11_A     0.236     0    0.010   0.668     2.555  100.000   94.643
LGA    F    12_A      F    12_A     0.229     0    0.030   0.061     0.272  100.000  100.000
LGA    A    13_A      A    13_A     0.168     0    0.022   0.024     0.225  100.000  100.000
LGA    G    14_A      G    14_A     0.098     0    0.033   0.033     0.133  100.000  100.000
LGA    N    15_A      N    15_A     0.244     0    0.041   0.080     0.558  100.000   98.810
LGA    C    16_A      C    16_A     0.595     0    0.045   0.118     0.741   92.857   92.063
LGA    A    17_A      A    17_A     0.644     0    0.021   0.020     1.097   88.214   88.667
LGA    A    18_A      A    18_A     1.515     0    0.071   0.074     1.949   77.143   76.286
LGA    C    19_A      C    19_A     0.578     0    0.030   0.127     0.958   95.238   93.651
LGA    H    20_A      H    20_A     0.250     0    0.227   0.203     1.229   95.357   96.238
LGA    N    21_A      N    21_A     0.617     0    0.028   0.749     3.105   92.857   80.238
LGA    G    22_A      G    22_A     0.688     0    0.049   0.049     0.691   90.476   90.476
LGA    G    23_A      G    23_A     0.424     0    0.066   0.066     0.815   97.619   97.619
LGA    L    24_A      L    24_A     0.487     0    0.244   0.363     2.411   86.548   89.702
LGA    N    25_A      N    25_A     0.158     0    0.047   0.072     0.572   97.619   97.619
LGA    A    26_A      A    26_A     0.669     0    0.213   0.225     2.011   84.167   85.429
LGA    I    27_A      I    27_A     0.665     0    0.021   0.083     1.312   90.476   89.345
LGA    N    28_A      N    28_A     0.729     0    0.067   0.178     1.697   92.857   87.202
LGA    P    29_A      P    29_A     0.921     0    0.016   0.042     1.319   90.476   86.599
LGA    S    30_A      S    30_A     1.103     0    0.015   0.078     1.490   85.952   84.444
LGA    K    31_A      K    31_A     0.732     0    0.127   0.543     1.462   90.476   87.460
LGA    T    32_A      T    32_A     0.273     0    0.022   0.085     0.395  100.000  100.000
LGA    L    33_A      L    33_A     0.282     0    0.013   0.148     0.443  100.000  100.000
LGA    K    34_A      K    34_A     0.322     0    0.049   0.916     5.615  100.000   80.952
LGA    M    35_A      M    35_A     0.413     0    0.032   0.965     1.836  100.000   90.774
LGA    A    36_A      A    36_A     0.335     0    0.015   0.017     0.386  100.000  100.000
LGA    D    37_A      D    37_A     0.273     0    0.015   0.137     0.699  100.000   96.429
LGA    L    38_A      L    38_A     0.175     0    0.018   0.064     0.448  100.000  100.000
LGA    E    39_A      E    39_A     0.302     0    0.028   0.920     2.717   97.619   82.434
LGA    A    40_A      A    40_A     0.554     0    0.064   0.066     0.776   92.857   92.381
LGA    N    41_A      N    41_A     0.584     0    0.019   0.099     0.774   92.857   94.048
LGA    G    42_A      G    42_A     0.710     0    0.019   0.019     0.725   90.476   90.476
LGA    K    43_A      K    43_A     0.566     0    0.083   0.611     1.545   92.857   87.566
LGA    N    44_A      N    44_A     0.256     0    0.167   0.136     0.961   97.619   95.238
LGA    S    45_A      S    45_A     0.426     0    0.026   0.081     0.598  100.000   96.825
LGA    V    46_A      V    46_A     0.370     0    0.018   0.031     0.679  100.000   95.918
LGA    A    47_A      A    47_A     0.514     0    0.006   0.012     0.659   97.619   96.190
LGA    A    48_A      A    48_A     0.541     0    0.040   0.046     0.604   92.857   92.381
LGA    I    49_A      I    49_A     0.348     0    0.026   0.058     0.416  100.000  100.000
LGA    V    50_A      V    50_A     0.226     0    0.010   0.041     0.256  100.000  100.000
LGA    A    51_A      A    51_A     0.388     0    0.018   0.026     0.416  100.000  100.000
LGA    Q    52_A      Q    52_A     0.390     0    0.000   0.800     2.962  100.000   88.148
LGA    I    53_A      I    53_A     0.360     0    0.007   0.042     0.393  100.000  100.000
LGA    T    54_A      T    54_A     0.320     0    0.016   0.028     0.377  100.000  100.000
LGA    N    55_A      N    55_A     0.236     0    0.029   0.111     0.636  100.000   98.810
LGA    G    56_A      G    56_A     0.146     0    0.020   0.020     0.689   97.619   97.619
LGA    N    57_A      N    57_A     0.815     0    0.157   0.532     2.373   90.476   82.798
LGA    G    58_A      G    58_A     0.449     0    0.025   0.025     0.596   95.238   95.238
LGA    A    59_A      A    59_A     0.482     0    0.114   0.121     0.826  100.000   98.095
LGA    M    60_A      M    60_A     0.464     0    0.000   0.109     0.669  100.000   97.619
LGA    P    61_A      P    61_A     0.447     0    0.033   0.041     0.705  100.000   95.918
LGA    G    62_A      G    62_A     0.355     0    0.043   0.043     0.357  100.000  100.000
LGA    F    63_A      F    63_A     0.364     0    0.037   0.120     0.801  100.000   96.537
LGA    K    64_A      K    64_A     0.340     0    0.021   0.519     2.211  100.000   92.011
LGA    G    65_A      G    65_A     0.637     0    0.027   0.027     0.798   90.476   90.476
LGA    R    66_A      R    66_A     0.629     0    0.096   1.045     3.124   95.238   83.680
LGA    I    67_A      I    67_A     0.385     0    0.000   0.060     0.512  100.000   98.810
LGA    S    68_A      S    68_A     0.337     0    0.049   0.049     0.453  100.000  100.000
LGA    D    69_A      D    69_A     0.337     0    0.016   0.248     1.152  100.000   95.298
LGA    S    70_A      S    70_A     0.727     0    0.153   0.532     2.638   88.214   83.413
LGA    D    71_A      D    71_A     0.694     0    0.040   0.367     1.660   90.476   84.940
LGA    M    72_A      M    72_A     0.413     0    0.031   0.118     0.478  100.000  100.000
LGA    E    73_A      E    73_A     0.486     0    0.673   0.672     3.200   82.857   91.323
LGA    D    74_A      D    74_A     0.571     0    0.038   0.058     1.031   95.238   91.726
LGA    V    75_A      V    75_A     0.240     0    0.067   1.097     2.251  100.000   89.932
LGA    A    76_A      A    76_A     0.284     0    0.029   0.034     0.337  100.000  100.000
LGA    A    77_A      A    77_A     0.295     0    0.033   0.035     0.475  100.000  100.000
LGA    Y    78_A      Y    78_A     0.344     0    0.025   0.121     0.516  100.000   99.206
LGA    V    79_A      V    79_A     0.360     0    0.016   0.050     0.485  100.000  100.000
LGA    L    80_A      L    80_A     0.338     0    0.050   1.330     2.847   97.619   84.702
LGA    D    81_A      D    81_A     0.347     0    0.015   0.120     0.662  100.000   98.810
LGA    Q    82_A      Q    82_A     0.297     0    0.016   1.056     2.593  100.000   91.164
LGA    A    83_A      A    83_A     0.403     0    0.024   0.023     0.486  100.000  100.000
LGA    E    84_A      E    84_A     0.401     0    0.037   1.167     4.377  100.000   77.989
LGA    K    85_A      K    85_A     0.795     0    0.009   0.926     3.122   88.214   81.164
LGA    G    86_A      G    86_A     1.313     0    0.543   0.543     3.484   73.690   73.690
LGA    W    87_A      W    87_A     1.011     0    0.652   0.837    11.166   75.476   28.980

# 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):     1.976          1.978                  2.086           92.744   89.209

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   87   87    4.0     84    0.53    96.552    97.913    13.397

LGA_LOCAL      RMSD:   0.527  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.096  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   1.976  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.151299 * X  +   0.231754 * Y  +  -0.960936 * Z  +  -4.174435
  Y_new =   0.787779 * X  +   0.615474 * Y  +   0.024402 * Z  +  19.420837
  Z_new =   0.597087 * X  +  -0.753314 * Y  +  -0.275692 * Z  +  78.638733 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.760543 -0.639865 -1.921628   [DEG:  100.8717  -36.6615 -110.1012 ]
ZXZ: -1.596185  1.850105  2.471372   [DEG:  -91.4547  106.0032  141.5992 ]
 
# END of job
