
#######################################################
#                                                     #
#                        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   99 (  788),  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        1.82     1.82
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90       1_A - 90_A        1.82     1.82
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49       2_A - 50_A        0.98     2.04
  LCS_AVERAGE:     44.83

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     15   90   90      6   11   15   32   75   80   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L     2_A     L     2_A     49   90   90     17   47   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     3_A     F     3_A     49   90   90     11   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     E     4_A     E     4_A     49   90   90      7   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     G     5_A     G     5_A     49   90   90      4   17   44   78   81   82   83   85   86   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     D     6_A     D     6_A     49   90   90      5   12   27   51   79   82   82   85   86   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     K     7_A     K     7_A     49   90   90      8   23   67   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     8_A     F     8_A     49   90   90     11   67   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     V     9_A     V     9_A     49   90   90     35   67   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    10_A     G    10_A     49   90   90      4   10   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    11_A     S    11_A     49   90   90     11   67   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    12_A     F    12_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    13_A     E    13_A     49   90   90     42   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    14_A     N    14_A     49   90   90     42   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    15_A     A    15_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    16_A     A    16_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    17_A     A    17_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    18_A     G    18_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    19_A     T    19_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    20_A     F    20_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    21_A     V    21_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    22_A     L    22_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    23_A     D    23_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    24_A     M    24_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    25_A     Y    25_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    26_A     A    26_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    27_A     Y    27_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    28_A     E    28_A     49   90   90     26   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    29_A     R    29_A     49   90   90     37   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    30_A     L    30_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    31_A     A    31_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    32_A     N    32_A     49   90   90     26   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    33_A     S    33_A     49   90   90      9   67   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     I    34_A     I    34_A     49   90   90     48   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    35_A     S    35_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    36_A     T    36_A     49   90   90     37   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    37_A     E    37_A     49   90   90     33   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    38_A     K    38_A     49   90   90     33   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    39_A     L    39_A     49   90   90     40   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    40_A     R    40_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Q    41_A     Q    41_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    42_A     Y    42_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    43_A     A    43_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    44_A     S    44_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    45_A     T    45_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    46_A     Y    46_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    47_A     N    47_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    48_A     K    48_A     49   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    49_A     Y    49_A     49   90   90      9   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    50_A     K    50_A     49   90   90      5   67   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    51_A     Y    51_A     45   90   90      5   11   37   74   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    52_A     Y    52_A     44   90   90      5   11   30   70   77   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    53_A     S    53_A     10   90   90      5    5   11   21   39   64   81   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    54_A     G    54_A     10   90   90      3    8   14   26   43   78   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    55_A     S    55_A     10   90   90      2   11   20   39   73   78   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    56_A     A    56_A      4   90   90      0    4    4    6   27   36   61   81   85   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    57_A     S    57_A      3   90   90      2    3    7   12   47   78   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    58_A     E    58_A     33   90   90      4    4   39   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    59_A     A    59_A     33   90   90      4    5   49   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    60_A     D    60_A     33   90   90     33   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    61_A     Y    61_A     33   90   90     19   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    62_A     R    62_A     33   90   90     14   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    63_A     L    63_A     33   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    64_A     A    64_A     33   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     C    65_A     C    65_A     33   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    66_A     F    66_A     33   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    67_A     A    67_A     33   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    68_A     H    68_A     33   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    69_A     L    69_A     33   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    70_A     A    70_A     33   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    71_A     K    71_A     33   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    72_A     A    72_A     33   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    73_A     M    73_A     33   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    74_A     M    74_A     33   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    75_A     D    75_A     33   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    76_A     Y    76_A     33   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    77_A     A    77_A     33   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    78_A     S    78_A     33   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    79_A     N    79_A     33   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    80_A     H    80_A     33   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    81_A     N    81_A     33   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    82_A     D    82_A     33   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    83_A     T    83_A     33   90   90     47   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    84_A     L    84_A     33   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    85_A     Y    85_A     33   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    86_A     T    86_A     33   90   90     49   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    87_A     P    87_A     33   90   90     48   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    88_A     P    88_A     33   90   90     42   68   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    89_A     T    89_A     33   90   90      6   67   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    90_A     V    90_A     33   90   90      4   56   76   80   81   82   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_AVERAGE  LCS_A:  81.61  (  44.83  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     49     68     76     80     81     82     83     85     87     88     89     90     90     90     90     90     90     90     90     90 
GDT PERCENT_AT  54.44  75.56  84.44  88.89  90.00  91.11  92.22  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
GDT RMS_LOCAL    0.32   0.51   0.64   0.81   0.87   0.95   1.05   1.21   1.56   1.56   1.67   1.82   1.82   1.82   1.82   1.82   1.82   1.82   1.82   1.82
GDT RMS_ALL_AT   1.90   1.92   1.91   1.91   1.93   1.96   1.89   1.90   1.82   1.83   1.82   1.82   1.82   1.82   1.82   1.82   1.82   1.82   1.82   1.82

# Checking swapping
#   possible swapping detected:  F     3_A      F     3_A
#   possible swapping detected:  F    12_A      F    12_A
#   possible swapping detected:  F    20_A      F    20_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    42_A      Y    42_A
#   possible swapping detected:  Y    49_A      Y    49_A
#   possible swapping detected:  Y    51_A      Y    51_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  D    60_A      D    60_A
#   possible swapping detected:  Y    76_A      Y    76_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_A      M     1_A     4.250     0    0.271   1.364     6.496   43.214   40.417
LGA    L     2_A      L     2_A     1.228     0    0.296   1.193     2.783   77.262   74.524
LGA    F     3_A      F     3_A     1.106     0    0.015   1.325     4.929   81.429   65.714
LGA    E     4_A      E     4_A     0.961     0    0.251   0.599     2.580   83.810   77.037
LGA    G     5_A      G     5_A     2.979     0    0.021   0.021     3.353   55.476   55.476
LGA    D     6_A      D     6_A     3.856     0    0.050   0.215     5.457   45.000   37.619
LGA    K     7_A      K     7_A     2.382     0    0.069   1.144     5.115   69.048   61.534
LGA    F     8_A      F     8_A     1.361     0    0.070   0.170     1.912   77.143   81.602
LGA    V     9_A      V     9_A     1.290     0    0.602   1.061     3.663   75.833   71.565
LGA    G    10_A      G    10_A     1.722     0    0.013   0.013     1.964   77.143   77.143
LGA    S    11_A      S    11_A     1.169     0    0.015   0.054     1.373   85.952   84.444
LGA    F    12_A      F    12_A     0.549     0    0.017   0.092     0.784   95.238   93.939
LGA    E    13_A      E    13_A     0.949     0    0.013   0.208     2.183   88.214   79.788
LGA    N    14_A      N    14_A     0.675     0    0.024   0.157     0.776   90.476   92.857
LGA    A    15_A      A    15_A     0.269     0    0.126   0.140     0.426  100.000  100.000
LGA    A    16_A      A    16_A     0.158     0    0.056   0.064     0.415  100.000  100.000
LGA    A    17_A      A    17_A     0.518     0    0.017   0.021     0.686   92.857   92.381
LGA    G    18_A      G    18_A     0.569     0    0.042   0.042     0.569   92.857   92.857
LGA    T    19_A      T    19_A     0.532     0    0.086   1.133     3.048   90.476   82.177
LGA    F    20_A      F    20_A     0.508     0    0.024   0.108     0.537   95.238   97.403
LGA    V    21_A      V    21_A     0.434     0    0.039   0.067     0.794   97.619   94.558
LGA    L    22_A      L    22_A     0.470     0    0.130   0.164     0.669   97.619   95.238
LGA    D    23_A      D    23_A     0.431     0    0.026   0.083     0.632   97.619   94.048
LGA    M    24_A      M    24_A     0.421     0    0.014   1.103     5.487  100.000   79.107
LGA    Y    25_A      Y    25_A     0.417     0    0.040   0.061     0.569  100.000   94.444
LGA    A    26_A      A    26_A     0.360     0    0.023   0.025     0.433  100.000  100.000
LGA    Y    27_A      Y    27_A     0.279     0    0.042   0.325     0.834  100.000   95.238
LGA    E    28_A      E    28_A     0.618     0    0.037   0.637     4.123   95.238   70.688
LGA    R    29_A      R    29_A     0.694     0    0.020   1.646     6.567   92.857   59.567
LGA    L    30_A      L    30_A     0.534     0    0.040   0.073     1.076   95.238   90.595
LGA    A    31_A      A    31_A     0.101     0    0.038   0.041     0.265  100.000  100.000
LGA    N    32_A      N    32_A     0.722     0    0.196   0.495     1.622   88.214   86.012
LGA    S    33_A      S    33_A     0.948     0    0.227   0.751     3.095   86.071   80.794
LGA    I    34_A      I    34_A     0.667     0    0.115   0.255     0.844   90.476   90.476
LGA    S    35_A      S    35_A     0.538     0    0.080   0.558     1.971   92.857   89.127
LGA    T    36_A      T    36_A     0.776     0    0.024   0.106     0.961   90.476   90.476
LGA    E    37_A      E    37_A     0.752     0    0.066   0.722     2.783   90.476   84.762
LGA    K    38_A      K    38_A     0.855     0    0.023   1.003     4.518   90.476   73.968
LGA    L    39_A      L    39_A     0.718     0    0.013   1.344     2.742   90.476   79.940
LGA    R    40_A      R    40_A     0.397     0    0.006   0.441     1.669   97.619   89.870
LGA    Q    41_A      Q    41_A     0.397     0    0.026   1.164     4.152  100.000   85.026
LGA    Y    42_A      Y    42_A     0.411     0    0.029   0.094     0.893  100.000   93.651
LGA    A    43_A      A    43_A     0.391     0    0.019   0.018     0.452  100.000  100.000
LGA    S    44_A      S    44_A     0.084     0    0.019   0.071     0.219  100.000  100.000
LGA    T    45_A      T    45_A     0.124     0    0.051   0.091     0.260  100.000  100.000
LGA    Y    46_A      Y    46_A     0.100     0    0.018   0.089     0.766  100.000   97.619
LGA    N    47_A      N    47_A     0.230     0    0.082   0.101     0.554   97.619   97.619
LGA    K    48_A      K    48_A     0.296     0    0.135   1.146     6.268   97.619   73.439
LGA    Y    49_A      Y    49_A     0.741     0    0.209   0.250     2.072   81.786   86.865
LGA    K    50_A      K    50_A     1.166     0    0.026   0.058     2.991   73.452   76.984
LGA    Y    51_A      Y    51_A     3.659     0    0.092   0.078     4.965   45.714   38.095
LGA    Y    52_A      Y    52_A     4.009     0    0.070   0.197     5.866   35.833   33.135
LGA    S    53_A      S    53_A     6.444     0    0.591   0.501     8.693   13.690   11.587
LGA    G    54_A      G    54_A     5.477     0    0.154   0.154     5.590   25.000   25.000
LGA    S    55_A      S    55_A     5.561     0    0.690   0.807     7.801   26.548   22.460
LGA    A    56_A      A    56_A     7.845     0    0.622   0.558     8.426   10.238    9.143
LGA    S    57_A      S    57_A     6.057     0    0.651   0.726     8.903   26.905   19.603
LGA    E    58_A      E    58_A     2.550     0    0.625   1.382    10.667   60.952   31.852
LGA    A    59_A      A    59_A     2.150     0    0.075   0.077     2.387   66.786   66.381
LGA    D    60_A      D    60_A     0.950     0    0.256   0.903     2.467   90.476   81.786
LGA    Y    61_A      Y    61_A     1.092     0    0.056   0.104     1.261   85.952   88.214
LGA    R    62_A      R    62_A     1.078     0    0.039   1.182     8.779   85.952   53.723
LGA    L    63_A      L    63_A     0.396     0    0.017   1.003     3.085   97.619   88.155
LGA    A    64_A      A    64_A     0.242     0    0.015   0.019     0.408  100.000  100.000
LGA    C    65_A      C    65_A     0.335     0    0.020   0.049     0.555  100.000   98.413
LGA    F    66_A      F    66_A     0.426     0    0.036   0.080     0.966   97.619   93.939
LGA    A    67_A      A    67_A     0.209     0    0.023   0.026     0.281  100.000  100.000
LGA    H    68_A      H    68_A     0.140     0    0.024   0.414     1.249  100.000   95.333
LGA    L    69_A      L    69_A     0.284     0    0.018   0.060     0.374  100.000  100.000
LGA    A    70_A      A    70_A     0.335     0    0.024   0.023     0.455  100.000  100.000
LGA    K    71_A      K    71_A     0.251     0    0.025   0.383     1.671  100.000   95.926
LGA    A    72_A      A    72_A     0.242     0    0.029   0.030     0.359  100.000  100.000
LGA    M    73_A      M    73_A     0.433     0    0.031   0.081     0.750  100.000   95.238
LGA    M    74_A      M    74_A     0.426     0    0.061   0.223     1.186  100.000   95.298
LGA    D    75_A      D    75_A     0.287     0    0.050   0.080     0.754   95.238   96.429
LGA    Y    76_A      Y    76_A     0.664     0    0.053   0.185     0.963   92.857   91.270
LGA    A    77_A      A    77_A     0.801     0    0.059   0.062     0.973   90.476   90.476
LGA    S    78_A      S    78_A     0.558     0    0.020   0.665     2.254   95.238   89.365
LGA    N    79_A      N    79_A     0.313     0    0.035   1.173     4.226  100.000   86.429
LGA    H    80_A      H    80_A     0.368     0    0.051   0.730     1.894   97.619   89.857
LGA    N    81_A      N    81_A     0.616     0    0.065   1.118     3.138   92.857   85.476
LGA    D    82_A      D    82_A     0.343     0    0.058   0.131     1.179  100.000   92.976
LGA    T    83_A      T    83_A     0.495     0    0.044   0.088     1.053  100.000   94.626
LGA    L    84_A      L    84_A     0.310     0    0.008   0.055     0.396  100.000  100.000
LGA    Y    85_A      Y    85_A     0.364     0    0.024   0.087     0.500  100.000  100.000
LGA    T    86_A      T    86_A     0.474     0    0.033   0.131     0.705  100.000   98.639
LGA    P    87_A      P    87_A     0.581     0    0.064   0.106     0.763   97.619   95.918
LGA    P    88_A      P    88_A     0.820     0    0.137   0.285     1.255   92.857   87.959
LGA    T    89_A      T    89_A     1.168     0    0.021   1.179     4.396   85.952   74.082
LGA    V    90_A      V    90_A     1.783     0    0.091   0.174     3.870   65.119   58.707

# 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):     1.816          1.799                  2.239           85.951   80.934

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   99   90    4.0     85    1.21    89.722    93.889     6.475

LGA_LOCAL      RMSD:   1.213  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.902  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   1.816  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.619206 * X  +   0.757689 * Y  +  -0.206133 * Z  + -19.260386
  Y_new =  -0.713102 * X  +   0.652510 * Y  +   0.256352 * Z  +  11.465425
  Z_new =   0.328739 * X  +  -0.011740 * Y  +   0.944348 * Z  +  -9.508368 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.855758 -0.334968 -0.012432   [DEG:  -49.0313  -19.1923   -0.7123 ]
ZXZ: -2.464354  0.335190  1.606495   [DEG: -141.1971   19.2050   92.0454 ]
 
# END of job
