
#######################################################
#                                                     #
#                        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   94 (  734),  selected   94 , name one
# Molecule2: number of CA atoms  106 (  830),  selected   94 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    94       3_B - 96_B        4.61     4.61
  LCS_AVERAGE:     88.68

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77       5_B - 81_B        1.88     5.23
  LCS_AVERAGE:     62.38

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22      54_B - 75_B        0.97     5.73
  LCS_AVERAGE:     14.62

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   94
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     V     3_B     V     3_B      3   22   94      0    4    9   14   21   47   61   71   76   78   79   79   80   80   81   85   88   91   94   94 
LCS_GDT     S     4_B     S     4_B      6   75   94      4    6    6   17   28   40   59   69   76   78   79   79   80   80   85   87   91   93   94   94 
LCS_GDT     D     5_B     D     5_B     12   77   94      5   12   26   54   65   71   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     V     6_B     V     6_B     17   77   94      4   15   41   61   67   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     P     7_B     P     7_B     20   77   94     16   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     R     8_B     R     8_B     20   77   94     16   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     D     9_B     D     9_B     20   77   94     15   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     L    10_B     L    10_B     20   77   94     16   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     E    11_B     E    11_B     20   77   94     16   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     V    12_B     V    12_B     20   77   94     10   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     V    13_B     V    13_B     20   77   94     16   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     A    14_B     A    14_B     20   77   94     10   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     A    15_B     A    15_B     20   77   94      7   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     T    16_B     T    16_B     20   77   94      8   27   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     P    17_B     P    17_B     20   77   94      7   16   40   57   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     T    18_B     T    18_B     20   77   94      7   20   40   57   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     S    19_B     S    19_B     20   77   94      8   27   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     L    20_B     L    20_B     20   77   94      5   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     L    21_B     L    21_B     20   77   94     16   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     I    22_B     I    22_B     20   77   94     16   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     S    23_B     S    23_B     20   77   94     16   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     W    24_B     W    24_B     20   77   94      8   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     D    25_B     D    25_B     20   77   94      4   22   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     A    26_B     A    26_B     20   77   94      4   20   45   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     P    27_B     P    27_B     10   77   94      3    8   29   54   66   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     P    28_B     P    28_B     11   77   94      3    5   15   21   35   59   71   74   77   78   79   79   80   81   85   89   92   93   94   94 
LCS_GDT     Y    29_B     Y    29_B     12   77   94      3   16   37   55   66   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     Y    30_B     Y    30_B     12   77   94      3   11   45   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     V    31_B     V    31_B     15   77   94      3   22   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     R    32_B     R    32_B     15   77   94      3   26   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     Y    33_B     Y    33_B     15   77   94      7   26   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     Y    34_B     Y    34_B     15   77   94     11   26   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     R    35_B     R    35_B     15   77   94     13   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     I    36_B     I    36_B     15   77   94     13   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     T    37_B     T    37_B     15   77   94     13   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     Y    38_B     Y    38_B     15   77   94     15   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     G    39_B     G    39_B     15   77   94     13   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     E    40_B     E    40_B     15   77   94     16   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     T    41_B     T    41_B     15   77   94     13   26   45   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     G    42_B     G    42_B     15   77   94     13   26   44   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     G    43_B     G    43_B     15   77   94      7   26   45   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     N    44_B     N    44_B     15   77   94      3   26   43   59   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     S    45_B     S    45_B     15   77   94      4   26   48   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     P    46_B     P    46_B     15   77   94      4    4   13   50   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     V    47_B     V    47_B     10   77   94      4    4    9   12   44   64   73   75   77   77   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     Q    48_B     Q    48_B     14   77   94     11   27   50   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     E    49_B     E    49_B     14   77   94     13   29   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     F    50_B     F    50_B     14   77   94     13   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     T    51_B     T    51_B     14   77   94      6   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     V    52_B     V    52_B     14   77   94      6   12   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     P    53_B     P    53_B     14   77   94      4   20   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     G    54_B     G    54_B     22   77   94      3   23   50   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     S    55_B     S    55_B     22   77   94      3   30   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     K    56_B     K    56_B     22   77   94     16   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     S    57_B     S    57_B     22   77   94     16   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     T    58_B     T    58_B     22   77   94     16   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     A    59_B     A    59_B     22   77   94      8   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     T    60_B     T    60_B     22   77   94      8   29   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     I    61_B     I    61_B     22   77   94      8   27   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     S    62_B     S    62_B     22   77   94     12   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     G    63_B     G    63_B     22   77   94     16   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     L    64_B     L    64_B     22   77   94     16   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     K    65_B     K    65_B     22   77   94     13   26   49   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     P    66_B     P    66_B     22   77   94     13   26   44   61   67   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     G    67_B     G    67_B     22   77   94     13   26   46   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     V    68_B     V    68_B     22   77   94     13   26   46   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     D    69_B     D    69_B     22   77   94     13   26   46   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     Y    70_B     Y    70_B     22   77   94     16   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     T    71_B     T    71_B     22   77   94     11   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     I    72_B     I    72_B     22   77   94     13   26   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     T    73_B     T    73_B     22   77   94     13   26   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     V    74_B     V    74_B     22   77   94     13   26   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     Y    75_B     Y    75_B     22   77   94     13   26   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     A    76_B     A    76_B     17   77   94      8   24   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     E    77_B     E    77_B     17   77   94      8   23   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     H    78_B     H    78_B     17   77   94     16   31   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     P    79_B     P    79_B     16   77   94      8   20   45   58   66   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     Y    80_B     Y    80_B      6   77   94      3   19   42   61   67   72   75   75   77   78   79   79   80   81   85   89   92   93   94   94 
LCS_GDT     Y    81_B     Y    81_B      6   77   94     10   21   52   61   68   72   75   75   77   78   79   79   80   82   85   89   92   93   94   94 
LCS_GDT     D    82_B     D    82_B      6   53   94      3    6    7   11   24   48   63   66   71   75   77   77   80   82   85   89   92   93   94   94 
LCS_GDT     P    83_B     P    83_B      4   12   94      3    4    4    7   11   13   20   21   24   26   28   36   46   64   82   89   92   93   94   94 
LCS_GDT     S    84_B     S    84_B      4    9   94      3    4    4    5    9   14   16   20   22   38   50   67   76   82   85   89   92   93   94   94 
LCS_GDT     S    85_B     S    85_B      4    8   94      3    4    4    6   15   17   22   28   36   40   50   67   77   82   85   89   92   93   94   94 
LCS_GDT     S    86_B     S    86_B      4    8   94      3    4    5   11   15   17   20   23   36   40   50   69   77   82   85   89   92   93   94   94 
LCS_GDT     Y    87_B     Y    87_B      6   10   94      3    5    9   10   15   17   20   23   25   37   45   52   62   78   84   89   92   93   94   94 
LCS_GDT     Y    88_B     Y    88_B      6   10   94      3    5    6    9   15   17   20   23   36   40   50   64   77   82   85   89   92   93   94   94 
LCS_GDT     F    89_B     F    89_B      6   10   94      3    5    6    7   10   15   20   28   36   43   68   73   79   82   85   89   92   93   94   94 
LCS_GDT     S    90_B     S    90_B      6   10   94      3    5    6    9   12   17   22   28   36   60   68   73   79   82   85   89   92   93   94   94 
LCS_GDT     S    91_B     S    91_B      6   10   94      3    5    6    6   10   15   20   20   23   38   50   57   62   74   84   89   92   93   94   94 
LCS_GDT     K    92_B     K    92_B      6   10   94      3    5    6    9   12   16   20   20   36   40   50   57   67   74   84   89   92   93   94   94 
LCS_GDT     P    93_B     P    93_B      5   10   94      3    5    5    9   12   16   20   20   23   38   50   57   62   65   81   89   92   93   94   94 
LCS_GDT     I    94_B     I    94_B      5   10   94      3    5    5    9   12   16   20   20   23   28   32   57   62   65   81   89   92   93   94   94 
LCS_GDT     S    95_B     S    95_B      5   10   94      3    5    5    7   10   16   20   20   23   28   32   57   62   65   78   89   92   93   94   94 
LCS_GDT     I    96_B     I    96_B      4   10   94      0    3    5    9   12   16   20   28   36   43   61   72   77   82   85   89   92   93   94   94 
LCS_AVERAGE  LCS_A:  55.23  (  14.62   62.38   88.68 )

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     16     31     52     61     68     72     75     75     77     78     79     79     80     82     85     89     92     93     94     94 
GDT PERCENT_AT  15.09  29.25  49.06  57.55  64.15  67.92  70.75  70.75  72.64  73.58  74.53  74.53  75.47  77.36  80.19  83.96  86.79  87.74  88.68  88.68
GDT RMS_LOCAL    0.38   0.63   1.08   1.23   1.45   1.54   1.69   1.69   1.88   2.06   2.13   2.13   2.34   3.42   3.68   4.20   4.47   4.53   4.61   4.61
GDT RMS_ALL_AT   5.06   5.13   5.04   5.16   5.21   5.18   5.20   5.20   5.23   5.28   5.28   5.28   5.17   4.69   4.66   4.64   4.62   4.61   4.61   4.61

# Checking swapping
#   possible swapping detected:  D    25_B      D    25_B
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  Y    30_B      Y    30_B
#   possible swapping detected:  Y    34_B      Y    34_B
#   possible swapping detected:  Y    38_B      Y    38_B
#   possible swapping detected:  E    40_B      E    40_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  F    50_B      F    50_B
#   possible swapping detected:  Y    70_B      Y    70_B
#   possible swapping detected:  Y    75_B      Y    75_B
#   possible swapping detected:  E    77_B      E    77_B
#   possible swapping detected:  Y    81_B      Y    81_B
#   possible swapping detected:  Y    87_B      Y    87_B
#   possible swapping detected:  Y    88_B      Y    88_B
#   possible swapping detected:  F    89_B      F    89_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    V     3_B      V     3_B     7.027     0    0.624   1.161     9.392   13.690   22.925
LGA    S     4_B      S     4_B     7.302     0    0.173   0.743     9.578   15.714   11.032
LGA    D     5_B      D     5_B     4.021     0    0.328   1.244     5.285   40.833   37.560
LGA    V     6_B      V     6_B     2.458     0    0.094   1.026     4.675   64.881   62.653
LGA    P     7_B      P     7_B     0.990     0    0.066   0.197     1.505   83.690   81.497
LGA    R     8_B      R     8_B     1.013     0    0.048   1.346     7.464   88.214   60.606
LGA    D     9_B      D     9_B     1.112     0    0.085   0.794     2.449   85.952   78.452
LGA    L    10_B      L    10_B     0.901     0    0.121   0.144     1.467   90.476   85.952
LGA    E    11_B      E    11_B     0.896     0    0.060   0.194     1.351   90.476   86.455
LGA    V    12_B      V    12_B     0.951     0    0.047   0.073     1.219   88.214   87.891
LGA    V    13_B      V    13_B     0.700     0    0.019   0.082     1.044   90.476   87.891
LGA    A    14_B      A    14_B     0.860     0    0.094   0.135     1.114   90.476   88.667
LGA    A    15_B      A    15_B     0.805     0    0.160   0.194     0.952   90.476   90.476
LGA    T    16_B      T    16_B     1.583     0    0.056   0.218     1.944   75.000   75.306
LGA    P    17_B      P    17_B     2.949     0    0.190   0.205     4.111   52.262   52.313
LGA    T    18_B      T    18_B     2.611     0    0.068   0.082     2.944   59.048   58.231
LGA    S    19_B      S    19_B     1.402     0    0.021   0.207     1.811   77.143   80.079
LGA    L    20_B      L    20_B     1.003     0    0.064   0.140     1.905   85.952   80.476
LGA    L    21_B      L    21_B     0.462     0    0.108   0.116     0.555   97.619   98.810
LGA    I    22_B      I    22_B     0.663     0    0.011   0.087     0.691   90.476   91.667
LGA    S    23_B      S    23_B     0.644     0    0.131   0.213     0.710   90.476   90.476
LGA    W    24_B      W    24_B     0.850     0    0.175   0.244     1.327   88.214   86.599
LGA    D    25_B      D    25_B     1.436     0    0.052   0.936     4.448   77.143   70.595
LGA    A    26_B      A    26_B     1.839     0    0.031   0.029     3.613   61.548   59.238
LGA    P    27_B      P    27_B     3.527     0    0.067   0.464     4.213   45.595   54.286
LGA    P    28_B      P    28_B     5.833     0    0.672   0.573     7.338   19.762   17.211
LGA    Y    29_B      Y    29_B     3.168     0    0.156   1.343     9.975   50.119   31.865
LGA    Y    30_B      Y    30_B     1.739     0    0.149   0.340     3.505   72.857   66.429
LGA    V    31_B      V    31_B     1.061     0    0.066   0.061     1.305   81.429   81.429
LGA    R    32_B      R    32_B     1.861     0    0.120   1.169     5.810   72.857   51.212
LGA    Y    33_B      Y    33_B     1.636     0    0.065   1.404     8.981   72.857   46.389
LGA    Y    34_B      Y    34_B     1.688     0    0.146   0.449     2.551   70.833   70.992
LGA    R    35_B      R    35_B     0.821     0    0.107   0.876     4.107   88.214   77.489
LGA    I    36_B      I    36_B     0.636     0    0.090   0.157     1.552   95.238   89.524
LGA    T    37_B      T    37_B     0.574     0    0.034   0.967     3.220   88.214   79.592
LGA    Y    38_B      Y    38_B     0.328     0    0.023   0.069     1.561  100.000   89.921
LGA    G    39_B      G    39_B     0.267     0    0.069   0.069     1.246   92.976   92.976
LGA    E    40_B      E    40_B     0.464     0    0.033   1.046     4.535   95.238   77.619
LGA    T    41_B      T    41_B     1.916     0    0.028   0.076     3.172   75.000   67.415
LGA    G    42_B      G    42_B     2.442     0    0.471   0.471     2.866   62.857   62.857
LGA    G    43_B      G    43_B     2.116     0    0.128   0.128     2.708   62.857   62.857
LGA    N    44_B      N    44_B     3.143     3    0.041   0.039     3.684   53.571   32.202
LGA    S    45_B      S    45_B     2.136     0    0.166   0.166     3.590   59.405   57.460
LGA    P    46_B      P    46_B     3.161     0    0.028   0.043     3.768   57.381   54.422
LGA    V    47_B      V    47_B     5.016     0    0.478   1.428     8.620   31.548   20.748
LGA    Q    48_B      Q    48_B     1.521     0    0.179   1.181     4.233   77.381   63.280
LGA    E    49_B      E    49_B     1.049     0    0.030   0.486     2.309   85.952   78.783
LGA    F    50_B      F    50_B     0.133     0    0.042   0.151     0.995  100.000   93.939
LGA    T    51_B      T    51_B     1.105     0    0.025   0.094     1.464   83.690   82.721
LGA    V    52_B      V    52_B     2.038     0    0.057   1.284     3.490   70.833   65.170
LGA    P    53_B      P    53_B     1.988     0    0.612   0.544     3.509   63.452   64.014
LGA    G    54_B      G    54_B     1.554     0    0.128   0.128     1.554   79.286   79.286
LGA    S    55_B      S    55_B     1.344     0    0.105   0.101     1.641   83.810   80.159
LGA    K    56_B      K    56_B     0.610     0    0.054   0.910     3.340   88.214   80.159
LGA    S    57_B      S    57_B     0.108     0    0.082   0.095     0.474  100.000  100.000
LGA    T    58_B      T    58_B     0.240     0    0.028   0.060     0.865   97.619   94.558
LGA    A    59_B      A    59_B     0.734     0    0.055   0.068     0.938   92.857   92.381
LGA    T    60_B      T    60_B     0.968     0    0.057   1.099     3.125   88.214   79.592
LGA    I    61_B      I    61_B     1.371     0    0.142   1.097     3.146   81.429   73.333
LGA    S    62_B      S    62_B     0.863     0    0.035   0.705     2.037   95.238   86.429
LGA    G    63_B      G    63_B     0.976     0    0.042   0.042     1.217   85.952   85.952
LGA    L    64_B      L    64_B     0.907     0    0.121   0.187     1.231   85.952   84.821
LGA    K    65_B      K    65_B     1.662     2    0.026   0.620     3.694   75.000   52.011
LGA    P    66_B      P    66_B     2.404     0    0.073   0.299     2.802   66.786   63.741
LGA    G    67_B      G    67_B     1.992     0    0.261   0.261     2.165   77.381   77.381
LGA    V    68_B      V    68_B     1.952     0    0.033   0.083     2.293   68.810   70.544
LGA    D    69_B      D    69_B     1.926     0    0.033   1.026     5.274   79.405   61.131
LGA    Y    70_B      Y    70_B     1.060     0    0.063   0.111     3.098   79.286   69.841
LGA    T    71_B      T    71_B     1.015     0    0.060   0.063     1.270   83.690   82.721
LGA    I    72_B      I    72_B     1.500     0    0.054   0.394     1.989   75.000   75.000
LGA    T    73_B      T    73_B     1.616     0    0.036   0.072     1.701   75.000   74.082
LGA    V    74_B      V    74_B     1.552     0    0.033   0.055     1.721   72.857   72.857
LGA    Y    75_B      Y    75_B     1.685     0    0.226   1.271     8.286   70.833   48.492
LGA    A    76_B      A    76_B     1.518     0    0.229   0.259     1.932   75.000   74.571
LGA    E    77_B      E    77_B     1.868     0    0.076   1.030     7.329   77.143   51.693
LGA    H    78_B      H    78_B     0.879     0    0.515   0.608     2.037   83.810   78.190
LGA    P    79_B      P    79_B     2.984     0    0.051   0.277     3.969   71.548   60.408
LGA    Y    80_B      Y    80_B     1.914     0    0.248   1.382    10.907   73.333   33.690
LGA    Y    81_B      Y    81_B     2.362     0    0.256   1.329     8.679   44.286   39.286
LGA    D    82_B      D    82_B     8.705     0    0.523   0.480    13.069    5.119    2.619
LGA    P    83_B      P    83_B    13.528     0    0.613   0.526    15.540    0.000    0.000
LGA    S    84_B      S    84_B    14.269     0    0.331   0.677    16.259    0.000    0.000
LGA    S    85_B      S    85_B    13.627     0    0.326   0.683    13.627    0.000    0.000
LGA    S    86_B      S    86_B    13.429     0    0.545   0.803    15.625    0.000    0.000
LGA    Y    87_B      Y    87_B    13.047     0    0.331   1.367    23.782    0.000    0.000
LGA    Y    88_B      Y    88_B    12.884     0    0.327   1.263    17.990    0.000    0.000
LGA    F    89_B      F    89_B    10.160     0    0.065   0.196    14.289    0.000    0.000
LGA    S    90_B      S    90_B    10.269     0    0.029   0.084    11.173    0.000    0.000
LGA    S    91_B      S    91_B    11.474     0    0.091   0.537    12.134    0.000    0.000
LGA    K    92_B      K    92_B    11.882     0    0.067   0.701    16.405    0.000    0.000
LGA    P    93_B      P    93_B    11.984     0    0.054   0.059    12.064    0.000    0.000
LGA    I    94_B      I    94_B    11.929     0    0.088   0.126    12.014    0.000    0.000
LGA    S    95_B      S    95_B    11.832     0    0.134   0.537    14.087    0.000    0.000
LGA    I    96_B      I    96_B     9.803     0    0.042   1.128    10.858    0.119    5.357

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       94     376    376  100.00     729    729  100.00               106
SUMMARY(RMSD_GDC):     4.605          4.602                  5.177           56.147   51.782

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   94  106    4.0     75    1.69    60.377    63.925     4.189

LGA_LOCAL      RMSD:   1.691  Number of atoms:   75  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.203  Number of assigned atoms:   94 
Std_ASGN_ATOMS RMSD:   4.605  Standard rmsd on all 94 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.504286 * X  +  -0.727628 * Y  +   0.465031 * Z  +  18.961029
  Y_new =  -0.809799 * X  +  -0.211471 * Y  +   0.547272 * Z  +  19.341448
  Z_new =  -0.299870 * X  +  -0.652563 * Y  +  -0.695874 * Z  +  48.450958 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.013831  0.304556 -2.388303   [DEG:  -58.0882   17.4498 -136.8397 ]
ZXZ:  2.437258  2.340432 -2.710845   [DEG:  139.6446  134.0969 -155.3200 ]
 
# END of job
