
#######################################################
#                                                     #
#                        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  107 (  868),  selected   90 , name one
# Molecule2: number of CA atoms   90 (  715),  selected   90 , 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:    90       1_A - 90_A        1.50     1.50
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90       1_A - 90_A        1.50     1.50
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    53       1_A - 53_A        0.92     1.56
  LCS_AVERAGE:     48.62

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   90
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     M     1_A     M     1_A     53   90   90     30   73   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L     2_A     L     2_A     53   90   90     63   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     3_A     F     3_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E     4_A     E     4_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G     5_A     G     5_A     53   90   90     65   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D     6_A     D     6_A     53   90   90     61   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K     7_A     K     7_A     53   90   90     61   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     8_A     F     8_A     53   90   90     61   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V     9_A     V     9_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    10_A     G    10_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    11_A     S    11_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    12_A     F    12_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    13_A     E    13_A     53   90   90     63   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    14_A     N    14_A     53   90   90     66   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    15_A     A    15_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    16_A     A    16_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    17_A     A    17_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    18_A     G    18_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    19_A     T    19_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    20_A     F    20_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    21_A     V    21_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    22_A     L    22_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    23_A     D    23_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    24_A     M    24_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    25_A     Y    25_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    26_A     A    26_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    27_A     Y    27_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    28_A     E    28_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    29_A     R    29_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    30_A     L    30_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    31_A     A    31_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    32_A     N    32_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    33_A     S    33_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     I    34_A     I    34_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    35_A     S    35_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    36_A     T    36_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    37_A     E    37_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    38_A     K    38_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    39_A     L    39_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    40_A     R    40_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Q    41_A     Q    41_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    42_A     Y    42_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    43_A     A    43_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    44_A     S    44_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    45_A     T    45_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    46_A     Y    46_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    47_A     N    47_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    48_A     K    48_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    49_A     Y    49_A     53   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    50_A     K    50_A     53   90   90     27   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    51_A     Y    51_A     53   90   90      8   41   79   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    52_A     Y    52_A     53   90   90      6   17   62   81   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    53_A     S    53_A     53   90   90      5   11   20   40   76   83   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    54_A     G    54_A     18   90   90      3   10   18   29   63   83   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    55_A     S    55_A     15   90   90      5   11   18   25   39   59   81   87   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    56_A     A    56_A      4   90   90      3    3    4    7   25   36   52   80   87   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    57_A     S    57_A      3   90   90      3    3    3   34   67   83   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    58_A     E    58_A     33   90   90      4    4   22   81   84   85   86   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    59_A     A    59_A     33   90   90      4    4   52   81   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    60_A     D    60_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    61_A     Y    61_A     33   90   90     49   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    62_A     R    62_A     33   90   90     61   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    63_A     L    63_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    64_A     A    64_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     C    65_A     C    65_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    66_A     F    66_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    67_A     A    67_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    68_A     H    68_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    69_A     L    69_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    70_A     A    70_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    71_A     K    71_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    72_A     A    72_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    73_A     M    73_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    74_A     M    74_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    75_A     D    75_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    76_A     Y    76_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    77_A     A    77_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    78_A     S    78_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    79_A     N    79_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    80_A     H    80_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    81_A     N    81_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    82_A     D    82_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    83_A     T    83_A     33   90   90     51   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    84_A     L    84_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    85_A     Y    85_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    86_A     T    86_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    87_A     P    87_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    88_A     P    88_A     33   90   90     67   78   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    89_A     T    89_A     33   90   90     27   77   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    90_A     V    90_A     33   90   90      4   65   81   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_AVERAGE  LCS_A:  82.87  (  48.62  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     67     78     81     82     84     85     87     88     89     90     90     90     90     90     90     90     90     90     90     90 
GDT PERCENT_AT  74.44  86.67  90.00  91.11  93.33  94.44  96.67  97.78  98.89 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.36   0.49   0.54   0.67   0.74   1.12   1.16   1.33   1.50   1.50   1.50   1.50   1.50   1.50   1.50   1.50   1.50   1.50   1.50
GDT RMS_ALL_AT   1.64   1.67   1.63   1.61   1.61   1.60   1.52   1.52   1.51   1.50   1.50   1.50   1.50   1.50   1.50   1.50   1.50   1.50   1.50   1.50

# Checking swapping
#   possible swapping detected:  F     3_A      F     3_A
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  F     8_A      F     8_A
#   possible swapping detected:  E    13_A      E    13_A
#   possible swapping detected:  E    37_A      E    37_A
#   possible swapping detected:  Y    46_A      Y    46_A
#   possible swapping detected:  Y    52_A      Y    52_A
#   possible swapping detected:  D    60_A      D    60_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  Y    85_A      Y    85_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_A      M     1_A     1.491     0    0.222   0.894     2.444   79.524   82.976
LGA    L     2_A      L     2_A     0.823     0    0.029   1.175     2.952   88.214   80.833
LGA    F     3_A      F     3_A     0.784     0    0.080   0.103     1.345   90.476   85.541
LGA    E     4_A      E     4_A     0.625     0    0.145   0.594     1.881   90.476   90.635
LGA    G     5_A      G     5_A     1.313     0    0.019   0.019     1.313   81.429   81.429
LGA    D     6_A      D     6_A     1.342     0    0.033   0.184     1.822   81.429   78.214
LGA    K     7_A      K     7_A     1.182     0    0.022   0.733     3.302   85.952   79.947
LGA    F     8_A      F     8_A     0.923     0    0.019   0.095     1.032   90.476   90.519
LGA    V     9_A      V     9_A     0.572     0    0.042   0.094     0.709   95.238   95.918
LGA    G    10_A      G    10_A     0.250     0    0.036   0.036     0.618   97.619   97.619
LGA    S    11_A      S    11_A     0.374     0    0.028   0.045     0.520  100.000   98.413
LGA    F    12_A      F    12_A     0.396     0    0.039   0.082     0.542  100.000   99.134
LGA    E    13_A      E    13_A     0.847     0    0.019   0.800     3.086   90.476   80.053
LGA    N    14_A      N    14_A     0.835     0    0.012   0.173     1.048   88.214   89.345
LGA    A    15_A      A    15_A     0.489     0    0.083   0.098     0.570   97.619   98.095
LGA    A    16_A      A    16_A     0.423     0    0.028   0.041     0.613   95.238   94.286
LGA    A    17_A      A    17_A     0.758     0    0.044   0.043     0.962   90.476   90.476
LGA    G    18_A      G    18_A     0.694     0    0.059   0.059     0.773   90.476   90.476
LGA    T    19_A      T    19_A     0.502     0    0.025   0.090     0.600   95.238   94.558
LGA    F    20_A      F    20_A     0.376     0    0.019   0.144     0.520  100.000   99.134
LGA    V    21_A      V    21_A     0.367     0    0.011   0.039     0.578  100.000   98.639
LGA    L    22_A      L    22_A     0.239     0    0.022   0.064     0.391  100.000  100.000
LGA    D    23_A      D    23_A     0.353     0    0.042   0.076     0.845  100.000   95.238
LGA    M    24_A      M    24_A     0.369     0    0.055   0.083     1.083  100.000   95.298
LGA    Y    25_A      Y    25_A     0.421     0    0.012   0.117     1.106  100.000   93.690
LGA    A    26_A      A    26_A     0.304     0    0.039   0.056     0.404  100.000  100.000
LGA    Y    27_A      Y    27_A     0.140     0    0.034   0.287     1.134  100.000   93.730
LGA    E    28_A      E    28_A     0.429     0    0.011   0.523     1.856  100.000   88.783
LGA    R    29_A      R    29_A     0.485     0    0.011   1.413     3.822  100.000   81.472
LGA    L    30_A      L    30_A     0.312     0    0.046   0.106     0.881  100.000   96.429
LGA    A    31_A      A    31_A     0.293     0    0.051   0.064     0.301  100.000  100.000
LGA    N    32_A      N    32_A     0.274     0    0.079   0.361     1.112   97.619   95.298
LGA    S    33_A      S    33_A     0.168     0    0.085   0.099     0.268  100.000  100.000
LGA    I    34_A      I    34_A     0.202     0    0.045   0.168     0.860  100.000   98.810
LGA    S    35_A      S    35_A     0.190     0    0.050   0.065     0.249  100.000  100.000
LGA    T    36_A      T    36_A     0.253     0    0.015   0.060     0.432  100.000  100.000
LGA    E    37_A      E    37_A     0.570     0    0.013   1.485     5.103   95.238   70.794
LGA    K    38_A      K    38_A     0.340     0    0.027   0.820     4.833  100.000   82.857
LGA    L    39_A      L    39_A     0.368     0    0.032   0.112     0.520  100.000   98.810
LGA    R    40_A      R    40_A     0.483     0    0.030   0.464     1.034  100.000   93.117
LGA    Q    41_A      Q    41_A     0.457     0    0.024   1.097     4.321  100.000   84.127
LGA    Y    42_A      Y    42_A     0.445     0    0.031   0.101     0.668   97.619   97.619
LGA    A    43_A      A    43_A     0.553     0    0.019   0.021     0.601   90.476   90.476
LGA    S    44_A      S    44_A     0.516     0    0.064   0.074     0.694   92.857   92.063
LGA    T    45_A      T    45_A     0.336     0    0.063   0.098     0.390  100.000  100.000
LGA    Y    46_A      Y    46_A     0.496     0    0.018   0.049     0.566   92.857   97.619
LGA    N    47_A      N    47_A     0.569     0    0.035   0.077     0.877   95.238   92.857
LGA    K    48_A      K    48_A     0.474     0    0.012   0.694     2.493  100.000   95.026
LGA    Y    49_A      Y    49_A     0.548     0    0.061   0.102     0.767   90.476   94.444
LGA    K    50_A      K    50_A     0.706     0    0.021   0.116     1.484   88.214   90.529
LGA    Y    51_A      Y    51_A     1.763     0    0.077   0.195     2.491   70.952   66.825
LGA    Y    52_A      Y    52_A     2.623     0    0.163   0.144     5.692   55.476   43.770
LGA    S    53_A      S    53_A     4.266     0    0.565   0.778     7.182   29.167   27.857
LGA    G    54_A      G    54_A     4.501     0    0.085   0.085     4.912   34.405   34.405
LGA    S    55_A      S    55_A     6.197     0    0.371   0.819     9.511   17.262   13.810
LGA    A    56_A      A    56_A     7.140     0    0.631   0.567     7.769   15.476   13.810
LGA    S    57_A      S    57_A     5.245     0    0.637   0.726     8.429   35.952   26.984
LGA    E    58_A      E    58_A     2.993     0    0.646   1.403    11.283   60.952   30.317
LGA    A    59_A      A    59_A     2.227     0    0.095   0.107     2.499   70.952   69.714
LGA    D    60_A      D    60_A     0.634     0    0.281   0.962     2.846   90.476   78.810
LGA    Y    61_A      Y    61_A     1.014     0    0.034   0.170     1.096   85.952   88.214
LGA    R    62_A      R    62_A     1.076     0    0.025   1.168     7.083   85.952   56.970
LGA    L    63_A      L    63_A     0.708     0    0.029   1.023     3.192   90.476   83.214
LGA    A    64_A      A    64_A     0.535     0    0.029   0.038     0.569   92.857   94.286
LGA    C    65_A      C    65_A     0.600     0    0.037   0.085     0.632   92.857   92.063
LGA    F    66_A      F    66_A     0.558     0    0.025   0.078     0.842   90.476   90.476
LGA    A    67_A      A    67_A     0.391     0    0.024   0.029     0.478  100.000  100.000
LGA    H    68_A      H    68_A     0.336     0    0.021   0.078     0.364  100.000  100.000
LGA    L    69_A      L    69_A     0.340     0    0.033   0.060     0.400  100.000  100.000
LGA    A    70_A      A    70_A     0.310     0    0.008   0.011     0.387  100.000  100.000
LGA    K    71_A      K    71_A     0.284     0    0.029   0.429     1.819  100.000   95.926
LGA    A    72_A      A    72_A     0.241     0    0.050   0.060     0.321  100.000  100.000
LGA    M    73_A      M    73_A     0.397     0    0.020   0.077     0.528  100.000   97.619
LGA    M    74_A      M    74_A     0.344     0    0.065   0.819     2.450  100.000   94.405
LGA    D    75_A      D    75_A     0.127     0    0.011   0.067     0.568  100.000   98.810
LGA    Y    76_A      Y    76_A     0.214     0    0.030   0.127     0.944  100.000   96.032
LGA    A    77_A      A    77_A     0.355     0    0.028   0.025     0.566   97.619   98.095
LGA    S    78_A      S    78_A     0.472     0    0.059   0.070     0.644   97.619   96.825
LGA    N    79_A      N    79_A     0.437     0    0.012   0.202     0.562  100.000   98.810
LGA    H    80_A      H    80_A     0.433     0    0.034   0.704     2.137   97.619   87.286
LGA    N    81_A      N    81_A     0.461     0    0.018   1.088     2.443   97.619   91.012
LGA    D    82_A      D    82_A     0.279     0    0.009   0.097     0.549  100.000   98.810
LGA    T    83_A      T    83_A     0.530     0    0.069   0.986     2.626   97.619   88.503
LGA    L    84_A      L    84_A     0.335     0    0.077   0.093     1.175  100.000   94.107
LGA    Y    85_A      Y    85_A     0.359     0    0.021   0.050     0.550  100.000   97.619
LGA    T    86_A      T    86_A     0.352     0    0.053   0.068     0.370  100.000  100.000
LGA    P    87_A      P    87_A     0.436     0    0.047   0.119     0.769   95.238   94.558
LGA    P    88_A      P    88_A     0.874     0    0.082   0.230     1.257   95.238   91.905
LGA    T    89_A      T    89_A     0.883     0    0.015   0.763     3.679   90.476   79.932
LGA    V    90_A      V    90_A     1.543     0    0.151   0.185     3.258   71.071   66.259

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       90     360    360  100.00     715    715  100.00                90
SUMMARY(RMSD_GDC):     1.504          1.484                  1.832           90.321   86.593

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107   90    4.0     88    1.16    93.889    96.438     6.958

LGA_LOCAL      RMSD:   1.165  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.523  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   1.504  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.882576 * X  +   0.354686 * Y  +   0.308638 * Z  + -13.071679
  Y_new =   0.276659 * X  +   0.922536 * Y  +  -0.269047 * Z  +  21.057236
  Z_new =  -0.380157 * X  +  -0.152067 * Y  +  -0.912336 * Z  +  -1.475492 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.837827  0.389966 -2.976432   [DEG:  162.5955   22.3434 -170.5370 ]
ZXZ:  0.853824  2.719749 -1.951313   [DEG:   48.9205  155.8302 -111.8020 ]
 
# END of job
