
#######################################################
#                                                     #
#                        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   89 (  707),  selected   89 , name one
# Molecule2: number of CA atoms   90 (  715),  selected   89 , 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:    89       2_A - 90_A        1.83     1.83
  LCS_AVERAGE:     98.89

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       2_A - 90_A        1.83     1.83
  LCS_AVERAGE:     98.89

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    44       7_A - 50_A        0.99     1.94
  LCS_AVERAGE:     40.89

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   89
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     L     2_A     L     2_A     35   89   89     22   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F     3_A     F     3_A     35   89   89     20   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E     4_A     E     4_A     35   89   89     25   62   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     5_A     G     5_A     35   89   89     14   56   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D     6_A     D     6_A     35   89   89      9   48   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K     7_A     K     7_A     44   89   89     27   60   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F     8_A     F     8_A     44   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V     9_A     V     9_A     44   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    10_A     G    10_A     44   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    11_A     S    11_A     44   89   89     24   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    12_A     F    12_A     44   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    13_A     E    13_A     44   89   89     26   60   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    14_A     N    14_A     44   89   89     26   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    15_A     A    15_A     44   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    16_A     A    16_A     44   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    17_A     A    17_A     44   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    18_A     G    18_A     44   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    19_A     T    19_A     44   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    20_A     F    20_A     44   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    21_A     V    21_A     44   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    22_A     L    22_A     44   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    23_A     D    23_A     44   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    24_A     M    24_A     44   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    25_A     Y    25_A     44   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    26_A     A    26_A     44   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    27_A     Y    27_A     44   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    28_A     E    28_A     44   89   89     33   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     R    29_A     R    29_A     44   89   89     25   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    30_A     L    30_A     44   89   89     17   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    31_A     A    31_A     44   89   89     25   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    32_A     N    32_A     44   89   89     15   61   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    33_A     S    33_A     44   89   89     11   61   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    34_A     I    34_A     44   89   89     24   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    35_A     S    35_A     44   89   89     15   31   61   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    36_A     T    36_A     44   89   89     15   31   49   78   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    37_A     E    37_A     44   89   89     15   31   66   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    38_A     K    38_A     44   89   89     17   60   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    39_A     L    39_A     44   89   89     17   58   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     R    40_A     R    40_A     44   89   89     17   45   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    41_A     Q    41_A     44   89   89     15   61   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    42_A     Y    42_A     44   89   89     18   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    43_A     A    43_A     44   89   89     25   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    44_A     S    44_A     44   89   89     25   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    45_A     T    45_A     44   89   89     27   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    46_A     Y    46_A     44   89   89     35   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    47_A     N    47_A     44   89   89     26   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    48_A     K    48_A     44   89   89     26   63   75   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    49_A     Y    49_A     44   89   89     23   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    50_A     K    50_A     44   89   89     14   36   74   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    51_A     Y    51_A     20   89   89      3    5   31   52   81   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    52_A     Y    52_A     20   89   89      3    4   43   78   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    53_A     S    53_A     19   89   89      3    7   19   34   47   79   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    54_A     G    54_A      4   89   89      3    4    6   12   20   32   42   57   83   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    55_A     S    55_A      4   89   89      3    7   10   16   28   40   47   65   83   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    56_A     A    56_A      4   89   89      3    4   10   16   28   40   47   65   83   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    57_A     S    57_A      4   89   89      3    3    4   31   44   79   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    58_A     E    58_A     33   89   89     25   61   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    59_A     A    59_A     33   89   89      4   61   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    60_A     D    60_A     33   89   89     13   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    61_A     Y    61_A     33   89   89     13   48   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     R    62_A     R    62_A     33   89   89      6   53   74   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    63_A     L    63_A     33   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    64_A     A    64_A     33   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    65_A     C    65_A     33   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    66_A     F    66_A     33   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    67_A     A    67_A     33   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H    68_A     H    68_A     33   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    69_A     L    69_A     33   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    70_A     A    70_A     33   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    71_A     K    71_A     33   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    72_A     A    72_A     33   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    73_A     M    73_A     33   89   89     35   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    74_A     M    74_A     33   89   89     31   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    75_A     D    75_A     33   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    76_A     Y    76_A     33   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    77_A     A    77_A     33   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    78_A     S    78_A     33   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    79_A     N    79_A     33   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H    80_A     H    80_A     33   89   89     30   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    81_A     N    81_A     33   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    82_A     D    82_A     33   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    83_A     T    83_A     33   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    84_A     L    84_A     33   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    85_A     Y    85_A     33   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    86_A     T    86_A     33   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    87_A     P    87_A     33   89   89     36   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    88_A     P    88_A     33   89   89     18   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    89_A     T    89_A     33   89   89     27   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    90_A     V    90_A     33   89   89     26   63   76   79   83   84   84   86   86   87   89   89   89   89   89   89   89   89   89   89 
LCS_AVERAGE  LCS_A:  79.55  (  40.89   98.89   98.89 )

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     36     63     76     79     83     84     84     86     86     87     89     89     89     89     89     89     89     89     89     89 
GDT PERCENT_AT  40.00  70.00  84.44  87.78  92.22  93.33  93.33  95.56  95.56  96.67  98.89  98.89  98.89  98.89  98.89  98.89  98.89  98.89  98.89  98.89
GDT RMS_LOCAL    0.30   0.58   0.79   0.83   0.98   1.05   1.05   1.34   1.34   1.51   1.83   1.83   1.83   1.83   1.83   1.83   1.83   1.83   1.83   1.83
GDT RMS_ALL_AT   2.08   1.94   1.97   1.96   1.94   1.92   1.92   1.87   1.87   1.85   1.83   1.83   1.83   1.83   1.83   1.83   1.83   1.83   1.83   1.83

# Checking swapping
#   possible swapping detected:  F     3_A      F     3_A
#   possible swapping detected:  F     8_A      F     8_A
#   possible swapping detected:  Y    27_A      Y    27_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  Y    49_A      Y    49_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  Y    76_A      Y    76_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     2_A      L     2_A     0.687     0    0.043   0.834     4.211   88.214   72.440
LGA    F     3_A      F     3_A     0.894     0    0.101   0.204     1.986   88.214   79.221
LGA    E     4_A      E     4_A     1.136     0    0.147   0.534     2.309   79.286   75.767
LGA    G     5_A      G     5_A     1.987     0    0.046   0.046     2.049   70.833   70.833
LGA    D     6_A      D     6_A     2.379     0    0.215   0.899     4.834   70.952   54.940
LGA    K     7_A      K     7_A     1.470     0    0.121   1.121     2.818   81.548   71.429
LGA    F     8_A      F     8_A     0.898     0    0.045   0.117     1.163   88.214   83.896
LGA    V     9_A      V     9_A     0.517     0    0.117   1.201     3.164   97.619   86.258
LGA    G    10_A      G    10_A     0.389     0    0.025   0.025     0.732   95.238   95.238
LGA    S    11_A      S    11_A     0.977     0    0.066   0.066     1.393   92.857   89.048
LGA    F    12_A      F    12_A     0.808     0    0.040   0.101     1.095   88.214   89.697
LGA    E    13_A      E    13_A     1.266     0    0.062   0.856     3.382   81.429   71.481
LGA    N    14_A      N    14_A     1.154     0    0.069   0.992     4.869   85.952   69.583
LGA    A    15_A      A    15_A     0.302     0    0.096   0.094     0.584   97.619   98.095
LGA    A    16_A      A    16_A     0.339     0    0.051   0.051     0.693   97.619   96.190
LGA    A    17_A      A    17_A     0.628     0    0.125   0.121     0.992   92.857   92.381
LGA    G    18_A      G    18_A     0.599     0    0.033   0.033     0.623   90.476   90.476
LGA    T    19_A      T    19_A     0.522     0    0.026   0.107     0.696   92.857   91.837
LGA    F    20_A      F    20_A     0.534     0    0.043   0.198     0.831   92.857   91.342
LGA    V    21_A      V    21_A     0.699     0    0.049   0.063     0.844   90.476   90.476
LGA    L    22_A      L    22_A     0.568     0    0.081   1.149     3.908   92.857   82.440
LGA    D    23_A      D    23_A     0.688     0    0.035   0.191     1.239   90.476   89.345
LGA    M    24_A      M    24_A     0.589     0    0.072   0.913     4.970   92.857   80.060
LGA    Y    25_A      Y    25_A     0.410     0    0.041   0.067     1.011   95.238   94.484
LGA    A    26_A      A    26_A     0.675     0    0.025   0.034     0.714   90.476   90.476
LGA    Y    27_A      Y    27_A     0.427     0    0.031   0.241     1.120   95.238   91.349
LGA    E    28_A      E    28_A     0.713     0    0.042   0.561     1.755   90.476   83.598
LGA    R    29_A      R    29_A     0.896     0    0.021   0.869     5.525   85.952   63.766
LGA    L    30_A      L    30_A     0.971     0    0.078   0.163     1.715   88.214   84.881
LGA    A    31_A      A    31_A     0.713     0    0.062   0.060     0.745   90.476   90.476
LGA    N    32_A      N    32_A     1.062     0    0.204   0.405     1.806   81.548   82.679
LGA    S    33_A      S    33_A     1.253     0    0.225   0.728     3.370   79.286   74.762
LGA    I    34_A      I    34_A     0.675     0    0.647   1.542     4.694   84.048   72.500
LGA    S    35_A      S    35_A     2.336     0    0.049   0.600     4.059   66.786   61.508
LGA    T    36_A      T    36_A     2.398     0    0.059   1.029     4.020   64.762   62.109
LGA    E    37_A      E    37_A     2.287     0    0.024   0.743     6.003   68.810   48.995
LGA    K    38_A      K    38_A     1.403     0    0.030   0.870     6.562   81.548   58.201
LGA    L    39_A      L    39_A     1.301     0    0.045   1.392     3.236   81.429   71.488
LGA    R    40_A      R    40_A     1.524     0    0.039   1.278     5.717   79.286   62.771
LGA    Q    41_A      Q    41_A     1.269     0    0.036   0.593     2.316   81.429   79.577
LGA    Y    42_A      Y    42_A     0.836     0    0.038   0.222     1.664   88.214   82.302
LGA    A    43_A      A    43_A     0.733     0    0.028   0.037     0.776   90.476   90.476
LGA    S    44_A      S    44_A     0.689     0    0.137   0.125     1.027   88.214   88.968
LGA    T    45_A      T    45_A     0.543     0    0.071   1.137     2.932   97.619   87.279
LGA    Y    46_A      Y    46_A     0.395     0    0.016   0.156     0.601  100.000   98.413
LGA    N    47_A      N    47_A     0.595     0    0.035   0.060     0.701   90.476   90.476
LGA    K    48_A      K    48_A     0.637     0    0.032   0.962     4.881   90.476   72.857
LGA    Y    49_A      Y    49_A     0.599     0    0.102   0.413     1.241   88.214   92.103
LGA    K    50_A      K    50_A     1.515     0    0.070   0.608     2.874   69.048   74.074
LGA    Y    51_A      Y    51_A     3.409     0    0.449   0.347     7.464   51.905   30.556
LGA    Y    52_A      Y    52_A     2.192     0    0.083   0.142     4.621   51.071   47.897
LGA    S    53_A      S    53_A     5.112     0    0.711   0.608     7.257   26.071   22.619
LGA    G    54_A      G    54_A     6.672     0    0.205   0.205     7.154   13.452   13.452
LGA    S    55_A      S    55_A     7.550     0    0.083   0.704    10.401    9.286    6.984
LGA    A    56_A      A    56_A     7.368     0    0.635   0.570     7.697    9.405    9.524
LGA    S    57_A      S    57_A     5.570     0    0.665   0.773     7.936   31.429   23.810
LGA    E    58_A      E    58_A     1.560     0    0.598   1.380     7.142   79.405   44.603
LGA    A    59_A      A    59_A     1.001     0    0.105   0.104     1.466   83.690   83.238
LGA    D    60_A      D    60_A     1.132     0    0.267   1.156     2.995   85.952   76.429
LGA    Y    61_A      Y    61_A     1.528     0    0.034   0.096     1.801   77.143   77.143
LGA    R    62_A      R    62_A     1.792     0    0.051   1.725     9.036   75.000   51.861
LGA    L    63_A      L    63_A     0.998     0    0.024   0.132     1.147   85.952   88.214
LGA    A    64_A      A    64_A     0.412     0    0.059   0.071     0.614   97.619   98.095
LGA    C    65_A      C    65_A     0.522     0    0.062   0.073     0.568   92.857   93.651
LGA    F    66_A      F    66_A     0.699     0    0.048   0.737     2.285   90.476   85.801
LGA    A    67_A      A    67_A     0.587     0    0.031   0.041     0.611   90.476   90.476
LGA    H    68_A      H    68_A     0.631     0    0.021   0.768     3.772   90.476   72.619
LGA    L    69_A      L    69_A     0.597     0    0.041   1.113     2.458   90.476   85.238
LGA    A    70_A      A    70_A     0.697     0    0.053   0.054     0.753   90.476   90.476
LGA    K    71_A      K    71_A     0.381     0    0.028   0.760     3.572   97.619   90.529
LGA    A    72_A      A    72_A     0.351     0    0.061   0.058     0.428  100.000  100.000
LGA    M    73_A      M    73_A     0.627     0    0.025   0.755     2.505   90.476   82.976
LGA    M    74_A      M    74_A     0.632     0    0.049   0.857     2.119   90.476   85.000
LGA    D    75_A      D    75_A     0.426     0    0.053   0.150     0.960  100.000   96.429
LGA    Y    76_A      Y    76_A     0.458     0    0.026   0.269     1.240  100.000   94.484
LGA    A    77_A      A    77_A     0.422     0    0.109   0.108     0.702   97.619   98.095
LGA    S    78_A      S    78_A     0.681     0    0.123   0.567     1.735   90.476   87.540
LGA    N    79_A      N    79_A     0.520     0    0.657   1.079     3.937   78.095   70.357
LGA    H    80_A      H    80_A     0.508     0    0.097   1.464     7.604   92.857   58.190
LGA    N    81_A      N    81_A     0.237     0    0.061   1.110     2.353   97.619   90.000
LGA    D    82_A      D    82_A     0.428     0    0.091   0.232     0.778   95.238   96.429
LGA    T    83_A      T    83_A     0.502     0    0.028   1.032     2.353   90.476   84.490
LGA    L    84_A      L    84_A     0.641     0    0.057   0.112     1.327   90.476   87.083
LGA    Y    85_A      Y    85_A     0.521     0    0.029   0.058     0.582   90.476   96.825
LGA    T    86_A      T    86_A     0.706     0    0.050   0.090     1.023   90.476   89.184
LGA    P    87_A      P    87_A     0.532     0    0.063   0.248     0.997   90.476   90.476
LGA    P    88_A      P    88_A     1.249     0    0.153   0.238     1.655   88.214   85.374
LGA    T    89_A      T    89_A     0.646     0    0.115   0.179     1.343   95.238   91.905
LGA    V    90_A      V    90_A     0.648     0    0.050   1.224     4.384   81.786   74.082

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       89     356    356  100.00     707    707  100.00                90
SUMMARY(RMSD_GDC):     1.830          1.824                  2.346           82.422   76.724

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89   90    4.0     86    1.34    88.056    93.221     5.981

LGA_LOCAL      RMSD:   1.338  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.865  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:   1.830  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.366131 * X  +  -0.880666 * Y  +   0.300625 * Z  +  -3.989309
  Y_new =  -0.930205 * X  +  -0.355335 * Y  +   0.091957 * Z  + -46.410461
  Z_new =   0.025839 * X  +  -0.313311 * Y  +  -0.949299 * Z  +  14.152871 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.195817 -0.025842 -2.822805   [DEG:  -68.5153   -1.4806 -161.7348 ]
ZXZ:  1.867645  2.821795  3.059308   [DEG:  107.0082  161.6770  175.2854 ]
 
# END of job
