
#######################################################
#                                                     #
#                        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        2.24     2.24
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    54       1_A - 54_A        1.80     2.30
  LCS_AVERAGE:     50.89

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    45       2_A - 46_A        1.00     2.60
  LCS_AVERAGE:     41.42

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     35   54   90     17   38   63   78   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L     2_A     L     2_A     45   54   90     35   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     3_A     F     3_A     45   54   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E     4_A     E     4_A     45   54   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     G     5_A     G     5_A     45   54   90     24   58   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     D     6_A     D     6_A     45   54   90     24   58   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     K     7_A     K     7_A     45   54   90     16   61   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     8_A     F     8_A     45   54   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     V     9_A     V     9_A     45   54   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    10_A     G    10_A     45   54   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    11_A     S    11_A     45   54   90     26   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    12_A     F    12_A     45   54   90     31   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    13_A     E    13_A     45   54   90     26   56   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    14_A     N    14_A     45   54   90     26   56   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    15_A     A    15_A     45   54   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    16_A     A    16_A     45   54   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    17_A     A    17_A     45   54   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    18_A     G    18_A     45   54   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    19_A     T    19_A     45   54   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    20_A     F    20_A     45   54   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    21_A     V    21_A     45   54   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    22_A     L    22_A     45   54   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    23_A     D    23_A     45   54   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    24_A     M    24_A     45   54   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    25_A     Y    25_A     45   54   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    26_A     A    26_A     45   54   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    27_A     Y    27_A     45   54   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    28_A     E    28_A     45   54   90     29   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    29_A     R    29_A     45   54   90     24   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    30_A     L    30_A     45   54   90     24   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    31_A     A    31_A     45   54   90     24   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    32_A     N    32_A     45   54   90     13   61   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    33_A     S    33_A     45   54   90     13   56   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     I    34_A     I    34_A     45   54   90     22   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    35_A     S    35_A     45   54   90     11   35   55   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    36_A     T    36_A     45   54   90     17   35   55   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    37_A     E    37_A     45   54   90     19   35   69   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    38_A     K    38_A     45   54   90     19   58   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    39_A     L    39_A     45   54   90     19   51   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    40_A     R    40_A     45   54   90     19   41   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Q    41_A     Q    41_A     45   54   90     19   60   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    42_A     Y    42_A     45   54   90     22   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    43_A     A    43_A     45   54   90     28   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    44_A     S    44_A     45   54   90     22   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    45_A     T    45_A     45   54   90     34   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    46_A     Y    46_A     45   54   90     39   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    47_A     N    47_A     44   54   90     35   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    48_A     K    48_A     44   54   90     23   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    49_A     Y    49_A     44   54   90     31   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    50_A     K    50_A     44   54   90     23   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    51_A     Y    51_A     38   54   90     12   39   73   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    52_A     Y    52_A     20   54   90      4   18   30   72   82   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    53_A     S    53_A      7   54   90      3    6   12   19   40   53   76   82   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    54_A     G    54_A      7   54   90      3    7   12   19   26   36   49   80   85   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    55_A     S    55_A      7   25   90      4    7   12   19   26   33   40   49   68   84   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    56_A     A    56_A      7   25   90      3    4   11   16   25   31   39   45   60   84   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    57_A     S    57_A      4   34   90      3    3    5   11   27   32   45   62   82   86   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    58_A     E    58_A      5   34   90      3    4    6   13   42   72   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    59_A     A    59_A     32   34   90      3    6   32   73   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    60_A     D    60_A     32   34   90     19   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    61_A     Y    61_A     32   34   90      5   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    62_A     R    62_A     32   34   90      8   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    63_A     L    63_A     32   34   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    64_A     A    64_A     32   34   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     C    65_A     C    65_A     32   34   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    66_A     F    66_A     32   34   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    67_A     A    67_A     32   34   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    68_A     H    68_A     32   34   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    69_A     L    69_A     32   34   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    70_A     A    70_A     32   34   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    71_A     K    71_A     32   34   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    72_A     A    72_A     32   34   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    73_A     M    73_A     32   34   90     29   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    74_A     M    74_A     32   34   90     35   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    75_A     D    75_A     32   34   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    76_A     Y    76_A     32   34   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    77_A     A    77_A     32   34   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    78_A     S    78_A     32   34   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    79_A     N    79_A     32   34   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    80_A     H    80_A     32   34   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    81_A     N    81_A     32   34   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    82_A     D    82_A     32   34   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    83_A     T    83_A     32   34   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    84_A     L    84_A     32   34   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    85_A     Y    85_A     32   34   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    86_A     T    86_A     32   34   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    87_A     P    87_A     32   34   90     40   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    88_A     P    88_A     32   34   90     32   61   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    89_A     T    89_A     32   34   90     22   64   75   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    90_A     V    90_A     32   34   90      5   49   74   79   83   84   85   85   86   87   88   90   90   90   90   90   90   90   90   90 
LCS_AVERAGE  LCS_A:  64.10  (  41.42   50.89  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     40     64     75     79     83     84     85     85     86     87     88     90     90     90     90     90     90     90     90     90 
GDT PERCENT_AT  44.44  71.11  83.33  87.78  92.22  93.33  94.44  94.44  95.56  96.67  97.78 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.59   0.76   0.88   1.04   1.11   1.23   1.23   1.43   1.62   1.86   2.24   2.24   2.24   2.24   2.24   2.24   2.24   2.24   2.24
GDT RMS_ALL_AT   2.73   2.51   2.55   2.48   2.45   2.42   2.39   2.39   2.34   2.30   2.27   2.24   2.24   2.24   2.24   2.24   2.24   2.24   2.24   2.24

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  Y    25_A      Y    25_A
#   possible swapping detected:  Y    27_A      Y    27_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  E    37_A      E    37_A
#   possible swapping detected:  Y    46_A      Y    46_A
#   possible swapping detected:  Y    49_A      Y    49_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  D    60_A      D    60_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_A      M     1_A     2.545     0    0.139   1.066     4.562   65.000   56.310
LGA    L     2_A      L     2_A     0.608     0    0.081   1.140     3.002   92.976   83.452
LGA    F     3_A      F     3_A     0.581     0    0.059   0.136     1.157   97.619   88.961
LGA    E     4_A      E     4_A     0.976     0    0.200   0.531     1.657   83.810   80.582
LGA    G     5_A      G     5_A     2.021     0    0.063   0.063     2.021   70.833   70.833
LGA    D     6_A      D     6_A     1.820     0    0.146   0.797     3.741   75.119   62.738
LGA    K     7_A      K     7_A     1.387     0    0.084   1.068     3.339   79.286   73.228
LGA    F     8_A      F     8_A     0.794     0    0.058   0.086     0.954   90.476   90.476
LGA    V     9_A      V     9_A     0.572     0    0.116   1.322     3.076   90.476   82.381
LGA    G    10_A      G    10_A     0.586     0    0.046   0.046     0.948   90.476   90.476
LGA    S    11_A      S    11_A     1.304     0    0.022   0.056     1.868   88.214   83.095
LGA    F    12_A      F    12_A     1.051     0    0.012   0.089     1.368   83.690   84.719
LGA    E    13_A      E    13_A     1.657     0    0.037   0.853     3.073   75.000   70.370
LGA    N    14_A      N    14_A     1.511     0    0.009   0.160     1.712   77.143   77.143
LGA    A    15_A      A    15_A     0.532     0    0.090   0.092     0.903   90.476   92.381
LGA    A    16_A      A    16_A     0.594     0    0.021   0.027     0.701   90.476   90.476
LGA    A    17_A      A    17_A     0.834     0    0.031   0.039     0.865   90.476   90.476
LGA    G    18_A      G    18_A     0.691     0    0.028   0.028     0.701   90.476   90.476
LGA    T    19_A      T    19_A     0.671     0    0.024   0.043     1.063   90.476   89.184
LGA    F    20_A      F    20_A     0.473     0    0.005   0.243     0.837   97.619   95.671
LGA    V    21_A      V    21_A     0.743     0    0.027   0.061     0.893   90.476   90.476
LGA    L    22_A      L    22_A     0.616     0    0.076   0.081     0.666   92.857   91.667
LGA    D    23_A      D    23_A     0.770     0    0.024   0.085     1.068   90.476   89.345
LGA    M    24_A      M    24_A     0.745     0    0.057   0.111     0.791   90.476   90.476
LGA    Y    25_A      Y    25_A     0.692     0    0.031   1.413     8.099   90.476   57.659
LGA    A    26_A      A    26_A     0.647     0    0.031   0.034     0.678   90.476   90.476
LGA    Y    27_A      Y    27_A     0.470     0    0.014   0.225     0.804   92.857   92.857
LGA    E    28_A      E    28_A     0.629     0    0.027   0.234     0.981   90.476   90.476
LGA    R    29_A      R    29_A     0.750     0    0.021   1.176     3.630   90.476   77.836
LGA    L    30_A      L    30_A     0.844     0    0.069   0.100     1.364   88.214   87.083
LGA    A    31_A      A    31_A     0.658     0    0.022   0.020     0.787   90.476   90.476
LGA    N    32_A      N    32_A     0.976     0    0.017   0.046     1.208   85.952   83.690
LGA    S    33_A      S    33_A     1.212     0    0.013   0.071     1.742   83.690   80.079
LGA    I    34_A      I    34_A     0.580     0    0.614   0.926     4.656   80.357   69.881
LGA    S    35_A      S    35_A     2.360     0    0.134   0.331     4.815   73.095   61.190
LGA    T    36_A      T    36_A     2.300     0    0.065   0.114     2.753   64.881   64.898
LGA    E    37_A      E    37_A     2.006     0    0.031   0.734     3.419   70.952   63.386
LGA    K    38_A      K    38_A     1.270     0    0.010   1.008     5.502   79.286   64.444
LGA    L    39_A      L    39_A     1.321     0    0.018   0.157     1.513   81.429   80.357
LGA    R    40_A      R    40_A     1.441     0    0.017   1.548     6.765   81.429   61.602
LGA    Q    41_A      Q    41_A     1.077     0    0.068   1.154     5.025   85.952   71.905
LGA    Y    42_A      Y    42_A     0.721     0    0.026   0.121     1.069   90.476   88.214
LGA    A    43_A      A    43_A     0.801     0    0.011   0.014     0.941   90.476   90.476
LGA    S    44_A      S    44_A     0.631     0    0.099   0.640     2.329   90.476   86.190
LGA    T    45_A      T    45_A     0.345     0    0.018   0.077     0.381  100.000  100.000
LGA    Y    46_A      Y    46_A     0.246     0    0.028   0.180     0.908  100.000   96.825
LGA    N    47_A      N    47_A     0.485     0    0.022   0.290     0.864   95.238   95.238
LGA    K    48_A      K    48_A     0.681     0    0.083   0.799     4.361   88.214   77.725
LGA    Y    49_A      Y    49_A     0.443     0    0.061   0.141     0.857   95.238   94.444
LGA    K    50_A      K    50_A     0.596     0    0.013   0.220     1.671   88.333   88.624
LGA    Y    51_A      Y    51_A     1.890     0    0.028   0.312     3.274   65.357   74.643
LGA    Y    52_A      Y    52_A     3.584     0    0.136   0.254     6.512   40.833   33.611
LGA    S    53_A      S    53_A     6.977     0    0.660   0.551    10.074    9.881    8.730
LGA    G    54_A      G    54_A     7.542     0    0.137   0.137     7.959    8.690    8.690
LGA    S    55_A      S    55_A     9.570     0    0.097   0.138    11.561    1.310    0.873
LGA    A    56_A      A    56_A     9.728     0    0.633   0.568     9.728    0.476    0.476
LGA    S    57_A      S    57_A     9.561     0    0.592   0.896    12.485    4.524    3.016
LGA    E    58_A      E    58_A     4.895     0    0.285   1.296    12.969   38.929   18.942
LGA    A    59_A      A    59_A     2.788     0    0.195   0.206     3.235   63.214   60.571
LGA    D    60_A      D    60_A     0.722     0    0.249   0.947     3.722   88.214   75.179
LGA    Y    61_A      Y    61_A     1.167     0    0.053   0.462     2.855   81.429   73.889
LGA    R    62_A      R    62_A     1.253     0    0.063   1.515     7.115   83.690   65.758
LGA    L    63_A      L    63_A     0.576     0    0.030   1.023     2.822   90.476   84.524
LGA    A    64_A      A    64_A     0.704     0    0.037   0.039     0.801   90.476   90.476
LGA    C    65_A      C    65_A     0.902     0    0.018   0.039     1.243   90.476   87.460
LGA    F    66_A      F    66_A     0.898     0    0.042   0.114     1.546   90.476   83.939
LGA    A    67_A      A    67_A     0.593     0    0.015   0.017     0.611   90.476   90.476
LGA    H    68_A      H    68_A     0.624     0    0.046   0.122     0.864   90.476   91.429
LGA    L    69_A      L    69_A     0.814     0    0.025   1.099     2.532   90.476   84.107
LGA    A    70_A      A    70_A     0.892     0    0.029   0.039     1.058   90.476   88.667
LGA    K    71_A      K    71_A     0.347     0    0.020   0.657     1.607   97.619   91.746
LGA    A    72_A      A    72_A     0.412     0    0.028   0.031     0.590  100.000   98.095
LGA    M    73_A      M    73_A     0.629     0    0.034   0.143     0.815   90.476   90.476
LGA    M    74_A      M    74_A     0.566     0    0.052   0.840     2.049   95.238   87.381
LGA    D    75_A      D    75_A     0.348     0    0.042   0.133     0.731  100.000   98.810
LGA    Y    76_A      Y    76_A     0.262     0    0.033   0.266     1.332  100.000   93.730
LGA    A    77_A      A    77_A     0.500     0    0.066   0.070     0.617   97.619   96.190
LGA    S    78_A      S    78_A     0.772     0    0.085   0.571     2.167   90.476   86.190
LGA    N    79_A      N    79_A     0.714     0    0.627   1.271     5.456   79.881   67.024
LGA    H    80_A      H    80_A     0.547     0    0.161   0.789     1.764   90.476   85.143
LGA    N    81_A      N    81_A     0.538     0    0.017   0.075     0.573   92.857   95.238
LGA    D    82_A      D    82_A     0.647     0    0.023   0.063     0.722   90.476   90.476
LGA    T    83_A      T    83_A     0.694     0    0.030   0.092     0.888   90.476   90.476
LGA    L    84_A      L    84_A     0.651     0    0.021   0.099     1.481   95.238   89.464
LGA    Y    85_A      Y    85_A     0.437     0    0.036   0.128     0.744   95.238   96.825
LGA    T    86_A      T    86_A     0.712     0    0.058   0.156     1.200   90.476   87.891
LGA    P    87_A      P    87_A     0.680     0    0.047   0.075     1.064   88.214   90.544
LGA    P    88_A      P    88_A     1.454     0    0.125   0.267     1.897   83.690   81.497
LGA    T    89_A      T    89_A     0.870     0    0.022   1.246     4.249   90.476   77.891
LGA    V    90_A      V    90_A     1.589     0    0.148   0.233     3.586   71.071   64.218

# 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):     2.241          2.219                  2.509           81.930   77.735

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107   90    4.0     85    1.23    88.333    81.363     6.385

LGA_LOCAL      RMSD:   1.231  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.385  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   2.241  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.902331 * X  +  -0.428653 * Y  +  -0.045343 * Z  + -48.034798
  Y_new =  -0.429422 * X  +   0.884831 * Y  +   0.180751 * Z  +   1.424823
  Z_new =  -0.037358 * X  +   0.182569 * Y  +  -0.982483 * Z  +   3.946634 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.697407  0.037367  2.957865   [DEG: -154.5501    2.1410  169.4732 ]
ZXZ: -2.895803  2.954145 -0.201838   [DEG: -165.9173  169.2601  -11.5645 ]
 
# END of job
