
#######################################################
#                                                     #
#                        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  112 (  911),  selected  112 , name one
# Molecule2: number of CA atoms  116 (  942),  selected  112 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    54      63_B - 116_B       4.97    18.29
  LONGEST_CONTINUOUS_SEGMENT:    54      64_B - 117_B       4.78    17.65
  LCS_AVERAGE:     41.46

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49      69_B - 117_B       1.97    15.42
  LCS_AVERAGE:     24.63

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      71_B - 100_B       0.96    15.38
  LCS_AVERAGE:     12.68

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  112
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     6_C     M     6_B      3    8   45      3    3    3    4    6    8    8   18   20   31   36   40   54   64   66   69   70   73   77   81 
LCS_GDT     L     7_C     L     7_B      5    9   46      3    4    6    7   14   22   26   35   42   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     S     8_C     S     8_B      5   10   46      3    4    7   12   17   22   26   35   39   49   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     N     9_C     N     9_B      5   11   46      3    6    7   12   17   22   26   39   46   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     I    10_C     I    10_B      8   11   46      4    8    8   12   16   22   26   35   42   47   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     V    11_C     V    11_B      8   11   46      4    8    9   13   17   22   26   35   39   47   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     I    12_C     I    12_B      8   11   46      3    8    9   13   17   22   26   32   39   44   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     Q    13_C     Q    13_B      8   11   46      3    8    8   12   17   22   25   31   36   39   43   51   59   64   66   69   70   73   77   81 
LCS_GDT     E    14_C     E    14_B      8   11   46      4    8    8   12   17   22   25   31   36   39   43   50   59   63   66   69   70   73   77   81 
LCS_GDT     V    15_C     V    15_B      8   11   46      4    8    9   13   16   18   23   30   36   41   44   48   52   59   66   69   70   73   77   81 
LCS_GDT     K    16_C     K    16_B      8   11   46      3    8    8    8   10   15   23   29   36   41   44   48   52   55   58   60   66   73   77   81 
LCS_GDT     F    17_C     F    17_B      8   11   46      3    8    8    8   10   17   25   31   36   41   44   48   52   55   58   60   63   69   74   80 
LCS_GDT     A    18_C     A    18_B      5   13   46      3    5    7   11   15   20   25   31   36   41   44   48   52   56   63   69   70   73   77   81 
LCS_GDT     I    19_C     I    19_B      5   13   46      3    5    5    7   14   19   25   31   36   41   44   48   52   55   58   68   70   73   77   81 
LCS_GDT     E    20_C     E    20_B      5   13   46      3    5   10   13   16   20   25   31   36   41   45   52   59   64   66   69   70   73   77   81 
LCS_GDT     D    21_C     D    21_B      4   13   46      3    4    8   12   16   20   25   31   36   41   47   54   59   64   66   69   70   73   77   81 
LCS_GDT     Y    22_C     Y    22_B      7   13   46      3    5   10   10   16   19   25   31   36   41   45   52   59   64   66   69   70   73   77   81 
LCS_GDT     C    23_C     C    23_B      7   13   46      3    6   10   10   16   19   25   31   36   41   47   54   59   64   66   69   70   73   77   81 
LCS_GDT     A    24_C     A    24_B      7   13   46      3    6   10   10   14   16   23   31   36   41   44   48   53   60   66   69   70   73   77   81 
LCS_GDT     I    25_C     I    25_B      7   13   46      3    6   10   10   14   18   25   31   36   41   44   49   59   64   66   69   70   73   77   81 
LCS_GDT     L    26_C     L    26_B      7   13   46      3    6   10   10   14   16   25   31   36   41   44   48   52   56   66   69   70   73   77   81 
LCS_GDT     S    27_C     S    27_B      7   13   46      3    6   10   10   14   16   25   31   36   41   44   48   52   55   58   62   70   73   77   81 
LCS_GDT     F    28_C     F    28_B      7   13   46      3    6   10   10   14   16   25   31   36   41   44   48   52   55   58   60   66   70   76   81 
LCS_GDT     A    29_C     A    29_B      7   13   46      3    6   10   10   14   16   25   31   36   41   44   48   52   55   58   60   63   69   74   80 
LCS_GDT     S    30_C     S    30_B      7   13   46      3    6   10   10   14   16   25   31   36   41   44   48   52   55   58   60   63   66   68   72 
LCS_GDT     D    31_C     D    31_B      6   12   46      3    4    6   10   14   16   20   28   36   41   44   48   52   55   58   60   63   66   68   71 
LCS_GDT     S    32_C     S    32_B      6    9   46      3    5    6    7    9   11   14   15   18   22   30   37   42   46   50   52   59   60   63   66 
LCS_GDT     Y    33_C     Y    33_B      6    9   46      3    5    6    7   11   15   18   27   36   41   44   45   48   52   54   56   61   64   66   69 
LCS_GDT     E    34_C     E    34_B      6    9   46      3    5    6    7   13   16   20   28   36   41   44   48   52   55   58   60   63   66   68   71 
LCS_GDT     V    35_C     V    35_B      6   16   46      3    5    6    8   14   20   25   31   36   41   44   48   52   55   58   60   63   66   72   78 
LCS_GDT     P    36_C     P    36_B      9   16   46      4    8   10   15   16   20   25   31   36   41   44   48   52   55   58   60   63   66   71   78 
LCS_GDT     E    37_C     E    37_B     12   16   46      5    9   12   15   16   20   25   31   36   41   44   45   52   53   55   58   62   66   67   71 
LCS_GDT     Q    38_C     Q    38_B     12   16   46      5    9   12   15   16   20   23   31   36   41   44   48   52   53   58   60   63   66   74   78 
LCS_GDT     Y    39_C     Y    39_B     12   16   46      5    9   12   15   16   20   23   31   36   41   49   56   56   58   60   65   70   73   77   81 
LCS_GDT     F    40_C     F    40_B     12   16   46      5    9   12   15   20   41   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     I    41_C     I    41_B     12   16   46      5    9   20   26   42   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     I    42_C     I    42_B     12   16   46      5    9   12   15   16   20   25   31   41   49   52   56   59   64   66   69   70   73   77   81 
LCS_GDT     T    43_C     T    43_B     12   16   46      5    9   12   15   16   20   25   31   36   41   50   53   58   64   66   69   70   73   77   81 
LCS_GDT     R    44_C     R    44_B     12   16   46      4    8   12   15   16   20   25   31   36   41   44   48   52   54   59   64   69   72   77   81 
LCS_GDT     S    45_C     S    45_B     12   16   46      4    9   12   15   16   20   25   31   36   41   44   48   52   55   59   64   69   72   77   81 
LCS_GDT     T    46_C     T    46_B     12   16   46      3    9   12   15   16   20   25   31   36   41   44   48   52   55   58   64   69   72   77   81 
LCS_GDT     T    47_C     T    47_B     12   16   46      3    6    9   15   16   20   24   31   36   41   44   48   52   55   58   64   67   72   77   81 
LCS_GDT     E    48_C     E    48_B     12   16   46      3    9   12   15   16   20   25   31   36   41   44   48   52   55   58   64   69   72   77   81 
LCS_GDT     R    49_C     R    49_B      6   16   46      3    9   12   15   16   20   25   31   36   41   44   48   53   56   65   69   70   73   77   81 
LCS_GDT     S    50_C     S    50_B      5   16   46      3    4   11   15   16   20   22   31   36   41   44   48   52   55   58   64   69   73   77   81 
LCS_GDT     G    51_C     G    51_B      3   13   46      3    5    7    9   11   13   14   20   29   36   42   44   46   49   54   60   62   66   67   71 
LCS_GDT     G    52_C     G    52_B      5   13   46      4    5    6    9   11   13   13   13   16   19   26   30   36   40   47   52   53   60   63   65 
LCS_GDT     I    53_C     I    53_B      5   13   45      4    5    7    9   11   13   13   13   16   20   22   26   34   38   41   46   50   52   56   61 
LCS_GDT     P    54_C     P    54_B      5   13   40      4    5    7    9   11   13   13   13   16   19   22   24   31   37   41   45   49   51   55   58 
LCS_GDT     E    55_C     E    55_B      5   13   19      4    5    7    9   11   13   13   15   18   19   21   23   27   32   40   43   47   50   53   57 
LCS_GDT     G    56_C     G    56_B      5   13   19      4    5    7    9   11   13   13   15   18   19   20   23   26   28   31   33   37   40   45   48 
LCS_GDT     D    57_C     D    57_B      5   13   19      4    5    7    9   11   13   14   14   18   18   20   23   26   31   35   38   38   43   45   50 
LCS_GDT     I    58_C     I    58_B      5   13   19      4    5    7    9   11   13   14   15   18   19   21   28   33   38   45   46   48   51   53   57 
LCS_GDT     Y    59_C     Y    59_B      5   13   17      4    5    7    9   11   13   13   13   14   15   18   22   26   35   40   45   48   50   52   54 
LCS_GDT     L    60_C     L    60_B      5   13   17      3    5    7    9   11   13   13   13   14   15   18   21   29   36   41   45   48   50   52   55 
LCS_GDT     E    61_C     E    61_B      5   13   17      3    4    7    9   11   13   13   13   14   14   16   18   19   21   24   27   42   45   50   52 
LCS_GDT     S    62_C     S    62_B      5   13   43      3    4    6    8   11   13   13   13   14   14   16   21   29   32   38   44   47   51   53   55 
LCS_GDT     N    63_C     N    63_B      4    5   54      3    4    4    4    7   10   13   18   20   24   29   31   35   38   44   45   50   52   53   55 
LCS_GDT     L    64_C     L    64_B      4    8   54      3    4    5    7   10   12   17   20   23   25   30   32   35   38   44   45   50   52   53   55 
LCS_GDT     F    65_C     F    65_B      4    9   54      3    4    5    7   11   12   19   20   23   24   27   31   35   37   38   42   46   48   52   53 
LCS_GDT     L    66_C     L    66_B      6    9   54      3    5    6    8   11   12   19   20   23   24   27   32   35   37   41   45   46   52   53   55 
LCS_GDT     D    67_C     D    67_B      6   11   54      3    5    6    8   11   14   19   20   23   24   27   32   35   38   44   45   50   52   58   59 
LCS_GDT     F    68_C     F    68_B      6   11   54      4    5    6    8   11   15   19   20   28   34   40   48   52   53   55   58   60   62   66   71 
LCS_GDT     N    69_C     N    69_B      6   49   54      4    5    8   10   13   20   33   40   46   48   49   52   56   58   62   64   69   73   77   81 
LCS_GDT     P    70_C     P    70_B      6   49   54      4    5    9   17   30   35   42   46   48   50   50   53   56   58   62   65   70   73   77   81 
LCS_GDT     Y    71_C     Y    71_B     30   49   54     21   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     G    72_C     G    72_B     30   49   54     21   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     L    73_C     L    73_B     30   49   54     21   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     S    74_C     S    74_B     30   49   54     21   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     G    75_C     G    75_B     30   49   54     21   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     Y    76_C     Y    76_B     30   49   54     21   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     L    77_C     L    77_B     30   49   54     21   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     L    78_C     L    78_B     30   49   54     21   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     S    79_C     S    79_B     30   49   54     12   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     E    80_C     E    80_B     30   49   54      2   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     P    81_C     P    81_B     30   49   54      3    6   21   30   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     N    82_C     N    82_B     30   49   54     10   32   39   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     C    83_C     C    83_B     30   49   54     21   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     V    84_C     V    84_B     30   49   54     21   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     D    85_C     D    85_B     30   49   54     21   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     L    86_C     L    86_B     30   49   54     21   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     L    87_C     L    87_B     30   49   54     21   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     I    88_C     I    88_B     30   49   54     21   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     E    89_C     E    89_B     30   49   54     21   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     P    90_C     P    90_B     30   49   54     16   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     N    91_C     N    91_B     30   49   54      9   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     N    92_C     N    92_B     30   49   54     19   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     Y    93_C     Y    93_B     30   49   54     21   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     V    94_C     V    94_B     30   49   54     21   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     R    95_C     R    95_B     30   49   54     21   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     L    96_C     L    96_B     30   49   54     21   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     R    97_C     R    97_B     30   49   54     21   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     L    98_C     L    98_B     30   49   54     15   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     I    99_C     I    99_B     30   49   54      6   31   39   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     E   100_C     E   100_B     30   49   54      4   12   33   41   44   46   48   49   49   51   54   56   58   64   66   69   70   73   77   81 
LCS_GDT     K   101_C     K   101_B     17   49   54      3    9   20   39   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     I   102_C     I   102_B     17   49   54     14   29   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     D   103_C     D   103_B     17   49   54     11   28   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     I   104_C     I   104_B     17   49   54     11   21   37   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     L   105_C     L   105_B     17   49   54     11   24   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     E   106_C     E   106_B     17   49   54     21   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     V   107_C     V   107_B     17   49   54     20   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     E   108_C     E   108_B     17   49   54     17   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     N   109_C     N   109_B     17   49   54     21   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     H   110_C     H   110_B     17   49   54     14   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     L   111_C     L   111_B     17   49   54     14   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     K   112_C     K   112_B     17   49   54     19   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     F   113_C     F   113_B     17   49   54     10   32   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     L   114_C     L   114_B     17   49   54     10   16   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     F   115_C     F   115_B     17   49   54     21   34   40   43   44   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_GDT     D   116_C     D   116_B     17   49   54     19   34   40   43   44   46   48   49   49   51   54   56   58   64   66   68   70   73   76   81 
LCS_GDT     N   117_C     N   117_B     17   49   54      3   11   20   31   42   46   48   49   49   51   54   56   59   64   66   69   70   73   77   81 
LCS_AVERAGE  LCS_A:  26.25  (  12.68   24.63   41.46 )

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     21     34     40     43     44     46     48     49     49     51     54     56     59     64     66     69     70     73     77     81 
GDT PERCENT_AT  18.10  29.31  34.48  37.07  37.93  39.66  41.38  42.24  42.24  43.97  46.55  48.28  50.86  55.17  56.90  59.48  60.34  62.93  66.38  69.83
GDT RMS_LOCAL    0.26   0.59   0.80   0.92   1.00   1.16   1.39   1.50   1.50   2.17   2.81   3.15   4.20   4.47   4.67   5.07   5.07   5.40   5.91   6.19
GDT RMS_ALL_AT  15.52  15.27  15.28  15.32  15.37  15.32  15.06  15.06  15.06  14.72  14.39  14.37  12.94  12.91  12.77  12.47  12.75  12.42  12.05  12.00

# Checking swapping
#   possible swapping detected:  F    17_C      F    17_B
#   possible swapping detected:  E    20_C      E    20_B
#   possible swapping detected:  F    28_C      F    28_B
#   possible swapping detected:  Y    33_C      Y    33_B
#   possible swapping detected:  E    34_C      E    34_B
#   possible swapping detected:  Y    39_C      Y    39_B
#   possible swapping detected:  E    48_C      E    48_B
#   possible swapping detected:  D    57_C      D    57_B
#   possible swapping detected:  F    68_C      F    68_B
#   possible swapping detected:  Y    71_C      Y    71_B
#   possible swapping detected:  Y    76_C      Y    76_B
#   possible swapping detected:  E    80_C      E    80_B
#   possible swapping detected:  E   100_C      E   100_B
#   possible swapping detected:  E   106_C      E   106_B
#   possible swapping detected:  E   108_C      E   108_B
#   possible swapping detected:  F   113_C      F   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     6_C      M     6_B    10.182     0    0.075   0.341    16.582    1.190    0.595
LGA    L     7_C      L     7_B     8.855     0    0.657   0.534    11.131    1.429    1.548
LGA    S     8_C      S     8_B     9.266     0    0.152   0.681    12.738    4.762    3.175
LGA    N     9_C      N     9_B     8.191     0    0.034   0.933    10.101    3.333    3.869
LGA    I    10_C      I    10_B     9.140     0    0.194   0.766    10.279    2.976    1.786
LGA    V    11_C      V    11_B     9.765     0    0.136   0.144    10.642    0.357    0.204
LGA    I    12_C      I    12_B    10.071     0    0.063   0.682    10.750    0.119    1.488
LGA    Q    13_C      Q    13_B    12.927     0    0.008   1.022    17.951    0.000    0.000
LGA    E    14_C      E    14_B    13.724     0    0.029   0.555    18.674    0.000    0.000
LGA    V    15_C      V    15_B    14.028     0    0.066   0.101    16.275    0.000    0.000
LGA    K    16_C      K    16_B    18.884     0    0.692   0.661    24.160    0.000    0.000
LGA    F    17_C      F    17_B    20.472     0    0.019   1.336    29.672    0.000    0.000
LGA    A    18_C      A    18_B    18.467     0    0.109   0.145    20.020    0.000    0.000
LGA    I    19_C      I    19_B    20.647     0    0.019   0.090    25.797    0.000    0.000
LGA    E    20_C      E    20_B    17.514     0    0.200   0.586    18.769    0.000    0.000
LGA    D    21_C      D    21_B    16.128     0    0.374   0.686    16.855    0.000    0.000
LGA    Y    22_C      Y    22_B    16.462     0    0.462   0.374    17.453    0.000    0.000
LGA    C    23_C      C    23_B    13.746     0    0.097   0.645    15.291    0.000    0.000
LGA    A    24_C      A    24_B    15.880     0    0.143   0.152    16.918    0.000    0.000
LGA    I    25_C      I    25_B    13.410     0    0.122   0.145    16.307    0.000    0.000
LGA    L    26_C      L    26_B    13.650     0    0.099   1.357    14.096    0.000    0.000
LGA    S    27_C      S    27_B    14.316     0    0.073   0.170    17.164    0.000    0.000
LGA    F    28_C      F    28_B    15.201     0    0.070   0.158    16.058    0.000    0.000
LGA    A    29_C      A    29_B    18.162     0    0.086   0.094    19.493    0.000    0.000
LGA    S    30_C      S    30_B    20.651     0    0.676   0.814    23.821    0.000    0.000
LGA    D    31_C      D    31_B    26.236     0    0.693   1.152    28.824    0.000    0.000
LGA    S    32_C      S    32_B    31.723     0    0.161   0.650    34.236    0.000    0.000
LGA    Y    33_C      Y    33_B    29.292     0    0.154   0.934    37.185    0.000    0.000
LGA    E    34_C      E    34_B    26.426     0    0.053   1.045    31.786    0.000    0.000
LGA    V    35_C      V    35_B    20.661     0    0.247   0.255    23.089    0.000    0.000
LGA    P    36_C      P    36_B    18.460     0    0.107   0.270    18.889    0.000    0.000
LGA    E    37_C      E    37_B    19.209     0    0.100   0.938    26.805    0.000    0.000
LGA    Q    38_C      Q    38_B    14.185     0    0.042   0.303    17.538    0.000    0.000
LGA    Y    39_C      Y    39_B     9.501     0    0.070   1.210    10.896    5.119    1.865
LGA    F    40_C      F    40_B     4.175     0    0.045   1.281     6.261   30.952   38.225
LGA    I    41_C      I    41_B     3.303     0    0.080   0.231     5.217   53.571   44.881
LGA    I    42_C      I    42_B     6.817     0    0.115   0.135    10.096   12.381    8.393
LGA    T    43_C      T    43_B     9.411     0    0.045   0.092    12.119    1.548    5.782
LGA    R    44_C      R    44_B    15.391     0    0.045   0.194    28.470    0.000    0.000
LGA    S    45_C      S    45_B    16.341     0    0.155   0.710    19.243    0.000    0.000
LGA    T    46_C      T    46_B    19.994     0    0.036   1.039    20.704    0.000    0.000
LGA    T    47_C      T    47_B    23.461     0    0.067   0.088    25.535    0.000    0.000
LGA    E    48_C      E    48_B    24.296     0    0.094   1.020    30.412    0.000    0.000
LGA    R    49_C      R    49_B    21.743     0    0.632   1.293    22.856    0.000    0.000
LGA    S    50_C      S    50_B    24.019     0    0.162   0.618    27.013    0.000    0.000
LGA    G    51_C      G    51_B    28.323     0    0.672   0.672    30.224    0.000    0.000
LGA    G    52_C      G    52_B    31.566     0    0.651   0.651    32.968    0.000    0.000
LGA    I    53_C      I    53_B    35.133     0    0.025   0.204    40.586    0.000    0.000
LGA    P    54_C      P    54_B    32.216     0    0.089   0.122    35.873    0.000    0.000
LGA    E    55_C      E    55_B    33.581     0    0.036   1.160    35.069    0.000    0.000
LGA    G    56_C      G    56_B    34.988     0    0.098   0.098    34.993    0.000    0.000
LGA    D    57_C      D    57_B    31.724     0    0.098   1.084    36.854    0.000    0.000
LGA    I    58_C      I    58_B    25.619     0    0.153   1.004    27.698    0.000    0.000
LGA    Y    59_C      Y    59_B    23.924     0    0.134   1.307    29.002    0.000    0.000
LGA    L    60_C      L    60_B    18.398     0    0.277   1.282    20.349    0.000    0.000
LGA    E    61_C      E    61_B    19.974     0    0.218   0.923    24.219    0.000    0.000
LGA    S    62_C      S    62_B    18.910     0    0.171   0.660    20.912    0.000    0.000
LGA    N    63_C      N    63_B    18.931     0    0.455   1.024    20.302    0.000    0.000
LGA    L    64_C      L    64_B    17.701     0    0.148   1.408    19.389    0.000    0.000
LGA    F    65_C      F    65_B    20.982     0    0.077   0.580    26.850    0.000    0.000
LGA    L    66_C      L    66_B    18.078     0    0.186   1.279    18.986    0.000    0.000
LGA    D    67_C      D    67_B    18.151     0    0.102   1.060    23.211    0.000    0.000
LGA    F    68_C      F    68_B    13.013     0    0.109   1.370    14.943    0.000    2.251
LGA    N    69_C      N    69_B     9.127     0    0.055   0.077    10.541    8.214    7.619
LGA    P    70_C      P    70_B     6.791     0    0.076   0.230     9.644   20.833   12.585
LGA    Y    71_C      Y    71_B     1.085     0    0.403   1.383     5.775   72.143   61.667
LGA    G    72_C      G    72_B     0.716     0    0.073   0.073     1.520   88.452   88.452
LGA    L    73_C      L    73_B     0.639     0    0.038   1.251     2.913   88.214   77.798
LGA    S    74_C      S    74_B     0.732     0    0.041   0.066     1.202   88.214   88.968
LGA    G    75_C      G    75_B     0.897     0    0.062   0.062     0.897   90.476   90.476
LGA    Y    76_C      Y    76_B     0.488     0    0.021   0.161     0.596   92.857   94.444
LGA    L    77_C      L    77_B     0.578     0    0.066   0.760     3.164   90.476   83.214
LGA    L    78_C      L    78_B     0.535     0    0.214   1.077     2.840   90.595   85.536
LGA    S    79_C      S    79_B     0.888     0    0.651   0.786     3.591   76.429   78.175
LGA    E    80_C      E    80_B     0.751     0    0.037   1.047     7.835   67.381   45.026
LGA    P    81_C      P    81_B     2.874     0    0.083   0.424     5.360   65.357   51.769
LGA    N    82_C      N    82_B     1.536     0    0.147   0.606     2.894   77.143   71.012
LGA    C    83_C      C    83_B     0.599     0    0.019   0.089     0.976   90.476   90.476
LGA    V    84_C      V    84_B     0.440     0    0.028   0.086     0.648  100.000   97.279
LGA    D    85_C      D    85_B     0.369     0    0.044   0.077     0.592   97.619   97.619
LGA    L    86_C      L    86_B     0.393     0    0.011   0.083     0.754  100.000   96.429
LGA    L    87_C      L    87_B     0.284     0    0.007   0.146     0.912  100.000   96.429
LGA    I    88_C      I    88_B     0.199     0    0.104   0.226     0.729  100.000   98.810
LGA    E    89_C      E    89_B     0.413     0    0.043   0.218     1.886   97.619   89.788
LGA    P    90_C      P    90_B     0.718     0    0.608   0.564     2.740   84.524   87.075
LGA    N    91_C      N    91_B     1.637     0    0.029   0.775     4.067   77.143   65.595
LGA    N    92_C      N    92_B     1.066     0    0.037   0.085     1.651   85.952   82.619
LGA    Y    93_C      Y    93_B     0.205     0    0.047   0.109     0.831  100.000   96.825
LGA    V    94_C      V    94_B     0.364     0    0.049   0.132     0.708  100.000   98.639
LGA    R    95_C      R    95_B     0.206     0    0.066   0.203     1.003  100.000   96.580
LGA    L    96_C      L    96_B     0.256     0    0.076   0.132     0.818   97.619   95.238
LGA    R    97_C      R    97_B     0.818     0    0.031   0.433     1.812   90.476   86.450
LGA    L    98_C      L    98_B     0.905     0    0.022   0.135     1.527   83.810   86.012
LGA    I    99_C      I    99_B     1.763     0    0.636   1.682     5.770   65.595   58.095
LGA    E   100_C      E   100_B     2.826     0    0.635   0.855    10.285   65.119   33.757
LGA    K   101_C      K   101_B     3.002     0    0.531   0.770    13.870   65.238   33.175
LGA    I   102_C      I   102_B     1.884     0    0.103   0.209     2.040   72.857   70.833
LGA    D   103_C      D   103_B     1.879     0    0.053   0.145     2.147   72.857   70.833
LGA    I   104_C      I   104_B     2.307     0    0.026   0.512     3.449   68.810   62.143
LGA    L   105_C      L   105_B     1.603     0    0.021   0.736     4.776   79.405   68.988
LGA    E   106_C      E   106_B     0.456     0    0.033   0.533     2.247   95.238   86.772
LGA    V   107_C      V   107_B     1.267     0    0.028   0.036     2.086   83.690   77.891
LGA    E   108_C      E   108_B     1.140     0    0.046   0.286     2.523   85.952   78.836
LGA    N   109_C      N   109_B     0.283     0    0.021   0.115     1.044   97.619   94.107
LGA    H   110_C      H   110_B     0.757     0    0.036   0.884     2.139   92.857   85.238
LGA    L   111_C      L   111_B     0.754     0    0.044   0.108     1.034   90.476   89.345
LGA    K   112_C      K   112_B     0.388     0    0.066   0.542     1.137   92.976   92.698
LGA    F   113_C      F   113_B     0.963     0    0.123   0.213     2.388   85.952   76.970
LGA    L   114_C      L   114_B     1.345     0    0.099   0.200     1.836   79.286   76.071
LGA    F   115_C      F   115_B     0.764     0    0.110   0.204     1.489   92.857   86.407
LGA    D   116_C      D   116_B     0.097     0    0.565   0.690     3.841   90.833   78.333
LGA    N   117_C      N   117_B     4.029     0    0.502   1.206     9.269   48.571   30.060

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      112     448    448  100.00     911    911  100.00               116
SUMMARY(RMSD_GDC):    11.263         11.195                 11.874           35.913   33.304

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  112  116    4.0     49    1.50    42.026    37.597     3.053

LGA_LOCAL      RMSD:   1.505  Number of atoms:   49  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  15.056  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:  11.263  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.611861 * X  +   0.790268 * Y  +  -0.033198 * Z  + -20.300724
  Y_new =   0.322466 * X  +  -0.210903 * Y  +   0.922787 * Z  + -12.717806
  Z_new =   0.722248 * X  +  -0.575322 * Y  +  -0.383878 * Z  +  -0.634709 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.485034 -0.807047 -2.159196   [DEG:   27.7904  -46.2404 -123.7128 ]
ZXZ: -3.105633  1.964789  2.243443   [DEG: -177.9397  112.5741  128.5398 ]
 
# END of job
