
#######################################################
#                                                     #
#                        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  101 (  823),  selected   97 , name one
# Molecule2: number of CA atoms   97 (  780),  selected   97 , 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:    56       4_A - 59_A        4.88     8.98
  LCS_AVERAGE:     55.99

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    47      52_A - 98_A        1.87    21.23
  LCS_AVERAGE:     45.78

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    44      53_A - 96_A        0.88    21.70
  LCS_AVERAGE:     29.98

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   97
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     E     4_A     E     4_A     10   45   56      6   11   23   28   31   38   43   45   45   51   53   60   64   66   69   73   76   78   80   84 
LCS_GDT     I     5_A     I     5_A     10   45   56     14   21   27   32   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     K     6_A     K     6_A     10   45   56     14   21   27   36   41   42   44   45   46   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     G     7_A     G     7_A     10   45   56     15   21   27   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     Y     8_A     Y     8_A     19   45   56     15   21   30   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     E     9_A     E     9_A     19   45   56     15   22   30   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     Y    10_A     Y    10_A     19   45   56     15   26   30   35   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     Q    11_A     Q    11_A     19   45   56     15   26   30   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     L    12_A     L    12_A     19   45   56     18   26   30   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     Y    13_A     Y    13_A     19   45   56     18   26   30   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     V    14_A     V    14_A     19   45   56     18   26   30   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     Y    15_A     Y    15_A     19   45   56     18   26   30   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     A    16_A     A    16_A     19   45   56     18   26   30   34   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     S    17_A     S    17_A     19   45   56     18   26   30   34   39   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     D    18_A     D    18_A     19   45   56     18   26   30   34   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     K    19_A     K    19_A     19   45   56     18   26   30   35   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     L    20_A     L    20_A     21   45   56     18   26   30   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     F    21_A     F    21_A     21   45   56     18   26   30   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     R    22_A     R    22_A     21   45   56     11   26   30   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     A    23_A     A    23_A     21   45   56     18   26   30   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     D    24_A     D    24_A     21   45   56     15   26   30   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     I    25_A     I    25_A     21   45   56     15   26   30   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     S    26_A     S    26_A     21   45   56     15   21   30   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     E    27_A     E    27_A     21   45   56     15   21   28   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     D    28_A     D    28_A     21   45   56     15   21   27   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     Y    29_A     Y    29_A     21   45   56     15   21   27   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     K    30_A     K    30_A     21   45   56     15   21   27   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   83 
LCS_GDT     T    31_A     T    31_A     21   45   56     15   21   27   36   41   42   44   45   46   53   56   61   64   66   69   72   76   78   80   83 
LCS_GDT     R    32_A     R    32_A     21   45   56     15   21   27   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     G    33_A     G    33_A     21   45   56     15   21   27   36   41   42   44   45   46   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     R    34_A     R    34_A     21   45   56     15   21   27   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     K    35_A     K    35_A     21   45   56     11   23   30   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     L    36_A     L    36_A     21   45   56     15   26   30   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     L    37_A     L    37_A     21   45   56     18   26   30   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     R    38_A     R    38_A     21   45   56     18   26   30   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     F    39_A     F    39_A     21   45   56     18   26   30   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     N    40_A     N    40_A     21   45   56     11   24   30   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     G    41_A     G    41_A     21   45   56     18   26   30   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     P    42_A     P    42_A     18   45   56     18   26   30   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     V    43_A     V    43_A     18   45   56     18   26   30   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     P    44_A     P    44_A     18   45   56     18   26   30   36   41   42   44   45   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     P    45_A     P    45_A     15   45   56     18   26   30   36   41   42   44   45   47   53   56   61   64   66   69   72   76   78   80   84 
LCS_GDT     P    46_A     P    46_A     14   45   56     15   26   30   36   41   42   44   45   45   49   50   54   59   65   68   69   72   77   80   83 
LCS_GDT     G    47_A     G    47_A     14   45   56      3   15   27   30   35   39   44   45   45   45   46   46   48   52   55   62   65   71   76   80 
LCS_GDT     G    48_A     G    48_A     14   45   56      3    3   23   30   36   41   44   45   45   45   46   48   53   55   61   64   69   74   79   80 
LCS_GDT     S    49_A     S    49_A      5   43   56      3    5    5    6    7    9   35   42   47   53   56   61   64   66   69   72   76   78   80   84 
LCS_GDT     G    50_A     G    50_A      5    7   56      4    7   16   21   27   33   41   42   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     G    51_A     G    51_A      5    7   56      4    5    5    6    7   23   33   40   45   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     G    52_A     G    52_A      5   47   56      4    6   12   19   27   36   45   47   47   47   47   51   59   63   69   73   76   78   80   84 
LCS_GDT     E    53_A     E    53_A     44   47   56     14   32   42   44   44   44   45   47   47   47   47   47   48   49   50   50   50   62   74   80 
LCS_GDT     W    54_A     W    54_A     44   47   56     20   36   42   44   44   44   45   47   47   47   47   47   48   49   50   50   52   62   74   83 
LCS_GDT     E    55_A     E    55_A     44   47   56     20   38   42   44   44   44   45   47   47   47   47   47   48   49   56   61   66   71   78   84 
LCS_GDT     I    56_A     I    56_A     44   47   56     20   38   42   44   44   44   45   47   47   47   47   47   48   49   56   61   66   71   77   83 
LCS_GDT     I    57_A     I    57_A     44   47   56     20   38   42   44   44   44   45   47   47   47   47   51   55   59   63   68   74   78   80   84 
LCS_GDT     D    58_A     D    58_A     44   47   56     20   38   42   44   44   44   45   47   47   47   47   47   48   54   58   65   69   76   79   84 
LCS_GDT     I    59_A     I    59_A     44   47   56     20   38   42   44   44   44   45   47   47   47   47   47   48   58   63   67   72   76   79   84 
LCS_GDT     G    60_A     G    60_A     44   47   52     20   38   42   44   44   44   45   47   47   47   47   47   48   49   50   63   68   76   79   84 
LCS_GDT     P    61_A     P    61_A     44   47   52     20   38   42   44   44   44   45   47   47   47   47   47   48   49   52   63   68   76   79   84 
LCS_GDT     F    62_A     F    62_A     44   47   52     20   38   42   44   44   44   45   47   47   47   47   50   63   66   69   73   76   78   80   84 
LCS_GDT     T    63_A     T    63_A     44   47   52     20   38   42   44   44   44   45   47   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     Q    64_A     Q    64_A     44   47   52     20   38   42   44   44   44   45   47   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     N    65_A     N    65_A     44   47   52     20   38   42   44   44   44   45   47   47   51   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     L    66_A     L    66_A     44   47   52     20   38   42   44   44   44   45   47   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     G    67_A     G    67_A     44   47   52     20   38   42   44   44   44   45   47   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     K    68_A     K    68_A     44   47   52     20   38   42   44   44   44   45   47   47   51   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     F    69_A     F    69_A     44   47   52     20   38   42   44   44   44   45   47   47   51   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     A    70_A     A    70_A     44   47   52     18   38   42   44   44   44   45   47   47   51   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     V    71_A     V    71_A     44   47   52     18   38   42   44   44   44   45   47   47   51   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     D    72_A     D    72_A     44   47   52     20   38   42   44   44   44   45   47   47   47   48   51   60   64   69   73   76   78   80   84 
LCS_GDT     E    73_A     E    73_A     44   47   52     17   38   42   44   44   44   45   47   47   47   47   47   55   62   68   73   76   78   80   84 
LCS_GDT     E    74_A     E    74_A     44   47   52     17   38   42   44   44   44   45   47   47   47   47   47   56   62   68   73   76   78   80   84 
LCS_GDT     N    75_A     N    75_A     44   47   52     18   38   42   44   44   44   45   47   47   47   47   47   56   62   68   73   76   78   80   84 
LCS_GDT     K    76_A     K    76_A     44   47   52     17   38   42   44   44   44   45   47   47   47   47   47   48   49   50   60   66   74   79   84 
LCS_GDT     I    77_A     I    77_A     44   47   52     17   38   42   44   44   44   45   47   47   47   47   47   48   49   50   50   56   67   75   83 
LCS_GDT     G    78_A     G    78_A     44   47   52     18   38   42   44   44   44   45   47   47   47   47   47   48   49   50   51   67   75   79   84 
LCS_GDT     Q    79_A     Q    79_A     44   47   52     15   38   42   44   44   44   45   47   47   47   47   47   48   49   50   50   50   62   71   83 
LCS_GDT     Y    80_A     Y    80_A     44   47   52      7   38   42   44   44   44   45   47   47   47   47   47   48   62   68   73   76   78   80   84 
LCS_GDT     G    81_A     G    81_A     44   47   52     12   38   42   44   44   44   45   47   47   47   47   50   57   62   68   73   76   78   80   84 
LCS_GDT     R    82_A     R    82_A     44   47   52     17   38   42   44   44   44   45   47   47   47   48   53   60   62   69   73   76   78   80   84 
LCS_GDT     L    83_A     L    83_A     44   47   52     18   38   42   44   44   44   45   47   47   51   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     T    84_A     T    84_A     44   47   52     18   38   42   44   44   44   45   47   47   51   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     F    85_A     F    85_A     44   47   52     18   38   42   44   44   44   45   47   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     N    86_A     N    86_A     44   47   52     18   38   42   44   44   44   45   47   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     K    87_A     K    87_A     44   47   52     18   38   42   44   44   44   45   47   47   53   56   61   64   66   69   73   76   78   80   84 
LCS_GDT     V    88_A     V    88_A     44   47   52     20   38   42   44   44   44   45   47   47   53   56   59   64   66   69   73   76   78   80   84 
LCS_GDT     I    89_A     I    89_A     44   47   52     20   38   42   44   44   44   45   47   47   47   47   51   55   59   63   67   71   76   79   80 
LCS_GDT     R    90_A     R    90_A     44   47   52     20   38   42   44   44   44   45   47   47   47   47   47   48   52   59   62   68   71   77   79 
LCS_GDT     P    91_A     P    91_A     44   47   52     20   38   42   44   44   44   45   47   47   47   47   47   48   50   56   61   66   71   74   78 
LCS_GDT     C    92_A     C    92_A     44   47   52     20   38   42   44   44   44   45   47   47   47   47   51   55   59   63   68   72   77   80   84 
LCS_GDT     M    93_A     M    93_A     44   47   52     20   37   42   44   44   44   45   47   47   47   47   48   53   59   63   66   73   78   80   84 
LCS_GDT     K    94_A     K    94_A     44   47   52     19   36   42   44   44   44   45   47   47   47   48   55   61   65   69   73   76   78   80   84 
LCS_GDT     K    95_A     K    95_A     44   47   52     14   28   42   44   44   44   45   47   47   47   47   47   48   57   68   73   76   78   80   84 
LCS_GDT     T    96_A     T    96_A     44   47   52      9   25   37   44   44   44   45   47   47   47   50   59   64   66   69   73   76   78   80   84 
LCS_GDT     I    97_A     I    97_A      6   47   52      4    8   15   22   29   43   45   47   47   47   47   47   60   66   69   73   76   78   80   84 
LCS_GDT     Y    98_A     Y    98_A      6   47   52      4    6   11   17   23   30   43   47   47   53   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     E    99_A     E    99_A      6    8   52      3    6    6    9   24   27   30   33   36   51   57   61   64   66   69   73   76   78   80   84 
LCS_GDT     N   100_A     N   100_A      6    8   52      3    6    6    7   24   27   33   40   45   53   57   61   64   66   69   73   76   78   80   84 
LCS_AVERAGE  LCS_A:  43.92  (  29.98   45.78   55.99 )

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     20     38     42     44     44     44     45     47     47     53     57     61     64     66     69     73     76     78     80     84 
GDT PERCENT_AT  20.62  39.18  43.30  45.36  45.36  45.36  46.39  48.45  48.45  54.64  58.76  62.89  65.98  68.04  71.13  75.26  78.35  80.41  82.47  86.60
GDT RMS_LOCAL    0.29   0.57   0.72   0.88   0.88   0.88   1.23   1.87   1.87   3.23   3.56   3.76   3.94   4.07   4.37   4.89   5.01   5.23   5.38   6.01
GDT RMS_ALL_AT  22.22  21.57  21.68  21.70  21.70  21.70  21.63  21.23  21.23   7.84   7.35   7.45   7.41   7.40   7.29   7.14   7.16   7.11   7.10   7.04

# Checking swapping
#   possible swapping detected:  Y     8_A      Y     8_A
#   possible swapping detected:  Y    10_A      Y    10_A
#   possible swapping detected:  Y    13_A      Y    13_A
#   possible swapping detected:  Y    15_A      Y    15_A
#   possible swapping detected:  D    18_A      D    18_A
#   possible swapping detected:  F    21_A      F    21_A
#   possible swapping detected:  E    27_A      E    27_A
#   possible swapping detected:  D    28_A      D    28_A
#   possible swapping detected:  Y    29_A      Y    29_A
#   possible swapping detected:  E    55_A      E    55_A
#   possible swapping detected:  F    62_A      F    62_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  Y    98_A      Y    98_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     4_A      E     4_A    34.733     4    0.610   0.586    35.643    0.000    0.000
LGA    I     5_A      I     5_A    32.543     0    0.093   1.530    35.547    0.000    0.000
LGA    K     6_A      K     6_A    34.065     0    0.053   1.114    36.105    0.000    0.000
LGA    G     7_A      G     7_A    32.141     0    0.046   0.046    32.194    0.000    0.000
LGA    Y     8_A      Y     8_A    28.430     0    0.052   1.246    31.946    0.000    0.000
LGA    E     9_A      E     9_A    25.506     0    0.029   0.323    26.041    0.000    0.000
LGA    Y    10_A      Y    10_A    25.485     0    0.050   0.097    31.592    0.000    0.000
LGA    Q    11_A      Q    11_A    23.177     0    0.095   1.178    23.877    0.000    0.000
LGA    L    12_A      L    12_A    26.298     0    0.120   0.884    30.324    0.000    0.000
LGA    Y    13_A      Y    13_A    26.546     0    0.118   0.157    29.034    0.000    0.000
LGA    V    14_A      V    14_A    29.702     0    0.059   1.232    32.102    0.000    0.000
LGA    Y    15_A      Y    15_A    31.729     0    0.073   0.191    33.386    0.000    0.000
LGA    A    16_A      A    16_A    33.971     0    0.043   0.045    34.181    0.000    0.000
LGA    S    17_A      S    17_A    35.708     0    0.044   0.072    36.049    0.000    0.000
LGA    D    18_A      D    18_A    34.673     0    0.131   0.649    39.258    0.000    0.000
LGA    K    19_A      K    19_A    30.863     0    0.053   1.105    32.393    0.000    0.000
LGA    L    20_A      L    20_A    28.028     0    0.037   0.076    28.791    0.000    0.000
LGA    F    21_A      F    21_A    26.236     0    0.085   0.203    29.958    0.000    0.000
LGA    R    22_A      R    22_A    24.440     0    0.033   1.058    24.893    0.000    0.000
LGA    A    23_A      A    23_A    26.303     0    0.115   0.139    28.290    0.000    0.000
LGA    D    24_A      D    24_A    25.147     0    0.028   0.415    27.525    0.000    0.000
LGA    I    25_A      I    25_A    28.842     0    0.050   0.543    32.022    0.000    0.000
LGA    S    26_A      S    26_A    29.831     0    0.040   0.040    33.063    0.000    0.000
LGA    E    27_A      E    27_A    33.825     0    0.071   0.355    36.566    0.000    0.000
LGA    D    28_A      D    28_A    36.887     0    0.020   0.726    40.232    0.000    0.000
LGA    Y    29_A      Y    29_A    37.544     0    0.046   1.375    40.596    0.000    0.000
LGA    K    30_A      K    30_A    42.696     0    0.064   0.810    44.860    0.000    0.000
LGA    T    31_A      T    31_A    44.840     0    0.073   1.113    45.463    0.000    0.000
LGA    R    32_A      R    32_A    41.657     0    0.049   1.267    42.883    0.000    0.000
LGA    G    33_A      G    33_A    41.627     0    0.096   0.096    41.801    0.000    0.000
LGA    R    34_A      R    34_A    37.581     0    0.043   1.420    39.339    0.000    0.000
LGA    K    35_A      K    35_A    34.310     0    0.168   1.092    35.090    0.000    0.000
LGA    L    36_A      L    36_A    31.553     0    0.090   0.243    32.853    0.000    0.000
LGA    L    37_A      L    37_A    27.626     0    0.062   1.159    28.940    0.000    0.000
LGA    R    38_A      R    38_A    25.448     0    0.061   0.881    26.468    0.000    0.000
LGA    F    39_A      F    39_A    26.326     0    0.099   0.441    31.071    0.000    0.000
LGA    N    40_A      N    40_A    23.655     0    0.148   1.151    24.533    0.000    0.000
LGA    G    41_A      G    41_A    23.938     0    0.078   0.078    24.279    0.000    0.000
LGA    P    42_A      P    42_A    24.925     0    0.084   0.114    26.782    0.000    0.000
LGA    V    43_A      V    43_A    22.369     0    0.041   1.120    24.394    0.000    0.000
LGA    P    44_A      P    44_A    23.206     0    0.053   0.235    23.472    0.000    0.000
LGA    P    45_A      P    45_A    24.876     0    0.020   0.113    26.513    0.000    0.000
LGA    P    46_A      P    46_A    23.038     0    0.115   0.345    24.999    0.000    0.000
LGA    G    47_A      G    47_A    24.790     0    0.612   0.612    26.469    0.000    0.000
LGA    G    48_A      G    48_A    25.736     0    0.583   0.583    25.736    0.000    0.000
LGA    S    49_A      S    49_A    22.774     0    0.118   0.129    23.889    0.000    0.000
LGA    G    50_A      G    50_A    18.386     0    0.047   0.047    19.837    0.000    0.000
LGA    G    51_A      G    51_A    12.952     0    0.089   0.089    15.181    0.000    0.000
LGA    G    52_A      G    52_A     5.942     0    0.037   0.037     8.265   23.929   23.929
LGA    E    53_A      E    53_A     1.522     0    0.597   1.091     8.922   79.286   44.074
LGA    W    54_A      W    54_A     1.316     0    0.037   0.246     2.514   81.429   72.483
LGA    E    55_A      E    55_A     1.113     0    0.057   1.127     4.406   81.429   71.111
LGA    I    56_A      I    56_A     1.264     0    0.024   0.119     1.967   81.429   78.214
LGA    I    57_A      I    57_A     0.830     0    0.041   0.088     1.013   88.214   89.345
LGA    D    58_A      D    58_A     0.983     0    0.016   0.273     1.323   88.214   85.952
LGA    I    59_A      I    59_A     0.811     0    0.301   1.328     2.325   81.548   77.560
LGA    G    60_A      G    60_A     0.978     0    0.130   0.130     1.247   85.952   85.952
LGA    P    61_A      P    61_A     0.928     0    0.023   0.076     1.090   90.476   87.891
LGA    F    62_A      F    62_A     0.613     0    0.043   0.288     2.422   90.476   81.775
LGA    T    63_A      T    63_A     0.768     0    0.038   0.128     0.945   90.476   91.837
LGA    Q    64_A      Q    64_A     0.896     0    0.036   0.227     1.553   90.476   87.513
LGA    N    65_A      N    65_A     1.011     0    0.078   1.047     3.064   88.214   77.738
LGA    L    66_A      L    66_A     0.912     0    0.047   0.297     1.057   90.476   89.345
LGA    G    67_A      G    67_A     0.655     0    0.036   0.036     0.751   92.857   92.857
LGA    K    68_A      K    68_A     0.645     0    0.045   0.786     2.955   90.476   83.915
LGA    F    69_A      F    69_A     1.031     0    0.039   0.236     1.851   88.214   83.203
LGA    A    70_A      A    70_A     0.926     0    0.029   0.034     1.038   90.476   88.667
LGA    V    71_A      V    71_A     0.459     0    0.036   0.102     1.037   95.238   91.905
LGA    D    72_A      D    72_A     0.646     0    0.035   0.200     1.287   90.476   89.345
LGA    E    73_A      E    73_A     1.302     0    0.032   0.317     2.834   81.429   72.275
LGA    E    74_A      E    74_A     1.450     0    0.021   0.611     1.597   81.429   83.598
LGA    N    75_A      N    75_A     0.894     0    0.085   0.141     1.364   88.214   87.083
LGA    K    76_A      K    76_A     1.083     0    0.095   0.975     6.496   81.548   59.471
LGA    I    77_A      I    77_A     1.634     0    0.028   1.424     6.250   75.000   60.417
LGA    G    78_A      G    78_A     1.677     0    0.056   0.056     2.059   70.833   70.833
LGA    Q    79_A      Q    79_A     2.339     0    0.069   0.749     2.787   62.857   63.069
LGA    Y    80_A      Y    80_A     1.922     0    0.186   0.268     2.554   72.857   68.849
LGA    G    81_A      G    81_A     1.878     0    0.091   0.091     1.907   72.857   72.857
LGA    R    82_A      R    82_A     1.664     0    0.023   1.158     6.264   72.857   60.866
LGA    L    83_A      L    83_A     1.234     0    0.029   0.194     2.030   81.429   78.274
LGA    T    84_A      T    84_A     0.902     0    0.072   1.132     2.703   90.595   81.973
LGA    F    85_A      F    85_A     0.229     0    0.046   0.132     0.888   95.238   94.805
LGA    N    86_A      N    86_A     0.207     0    0.020   0.179     0.913  100.000   96.429
LGA    K    87_A      K    87_A     0.569     0    0.056   0.201     2.102   95.238   86.772
LGA    V    88_A      V    88_A     0.576     0    0.049   0.084     0.750   92.857   93.197
LGA    I    89_A      I    89_A     1.086     0    0.059   0.904     2.721   83.690   78.452
LGA    R    90_A      R    90_A     1.254     0    0.057   0.764     4.153   83.690   68.571
LGA    P    91_A      P    91_A     1.087     0    0.042   0.237     1.145   81.429   85.306
LGA    C    92_A      C    92_A     1.479     0    0.114   0.709     1.735   81.429   80.000
LGA    M    93_A      M    93_A     1.295     0    0.011   0.781     2.133   81.429   76.131
LGA    K    94_A      K    94_A     1.005     0    0.123   0.716     3.454   83.690   75.503
LGA    K    95_A      K    95_A     1.573     0    0.036   0.679     4.037   72.857   60.423
LGA    T    96_A      T    96_A     1.583     0    0.111   1.089     2.648   70.952   70.748
LGA    I    97_A      I    97_A     4.616     0    0.094   0.677     6.930   33.452   26.488
LGA    Y    98_A      Y    98_A     6.751     0    0.120   0.192     8.842   10.119   20.833
LGA    E    99_A      E    99_A    11.679     0    0.104   1.176    14.213    0.119    0.053
LGA    N   100_A      N   100_A    13.751     0    0.122   0.775    16.798    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       97     388    388  100.00     780    780  100.00                97
SUMMARY(RMSD_GDC):     7.008          6.952                  7.450           38.947   36.576

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   97    4.0     47    1.87    52.062    49.968     2.390

LGA_LOCAL      RMSD:   1.867  Number of atoms:   47  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  21.232  Number of assigned atoms:   97 
Std_ASGN_ATOMS RMSD:   7.008  Standard rmsd on all 97 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.437436 * X  +   0.215481 * Y  +  -0.873051 * Z  +  20.633232
  Y_new =  -0.128541 * X  +  -0.975879 * Y  +  -0.176456 * Z  +  49.485752
  Z_new =  -0.890015 * X  +   0.035035 * Y  +   0.454583 * Z  +  46.493404 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.855786  1.097379  0.076919   [DEG: -163.6245   62.8752    4.4071 ]
ZXZ: -1.371369  1.098893 -1.531452   [DEG:  -78.5736   62.9619  -87.7457 ]
 
# END of job
