
#######################################################
#                                                     #
#                        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  132 ( 1136),  selected  124 , name one
# Molecule2: number of CA atoms  124 ( 1059),  selected  124 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:D  -ch2:D  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    69       2_D - 70_D        4.49    24.84
  LCS_AVERAGE:     44.46

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    57       2_D - 58_D        1.96    25.65
  LCS_AVERAGE:     28.93

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      30_D - 58_D        1.00    25.28
  LONGEST_CONTINUOUS_SEGMENT:    29      97_D - 125_D       0.91    21.12
  LCS_AVERAGE:     15.88

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
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     D     2_D     D     2_D     24   57   69      9   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     K     3_D     K     3_D     24   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     E     4_D     E     4_D     24   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     I     5_D     I     5_D     24   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     A     6_D     A     6_D     24   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     K     7_D     K     7_D     24   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     E     8_D     E     8_D     24   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     I     9_D     I     9_D     24   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     F    10_D     F    10_D     24   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     N    11_D     N    11_D     24   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     M    12_D     M    12_D     24   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     M    13_D     M    13_D     24   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     F    14_D     F    14_D     24   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     M    15_D     M    15_D     24   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     L    16_D     L    16_D     24   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     L    17_D     L    17_D     24   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     W    18_D     W    18_D     24   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     R    19_D     R    19_D     24   57   69     37   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     V    20_D     V    20_D     24   57   69     31   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     F    21_D     F    21_D     24   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     R    22_D     R    22_D     24   57   69     28   47   49   50   51   53   53   54   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     S    23_D     S    23_D     24   57   69     15   31   49   50   50   53   53   54   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     Q    24_D     Q    24_D     24   57   69     22   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     R    25_D     R    25_D     24   57   69      3    4    4   40   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     I    26_D     I    26_D      3   57   69      3    4    4   12   16   20   27   39   55   57   57   62   62   64   65   65   65   65   66   68 
LCS_GDT     D    27_D     D    27_D      4   57   69      3    4    5   10   18   26   43   54   55   57   60   62   62   64   65   65   67   67   67   68 
LCS_GDT     A    28_D     A    28_D      4   57   69      3    4    5    6    8   12   17   22   43   57   57   57   62   64   65   65   67   67   67   68 
LCS_GDT     N    29_D     N    29_D      4   57   69      3    4    5   16   24   34   50   54   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     N    30_D     N    30_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     V    31_D     V    31_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     E    32_D     E    32_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     L    33_D     L    33_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     I    34_D     I    34_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     K    35_D     K    35_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     F    36_D     F    36_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     N    37_D     N    37_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     I    38_D     I    38_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     R    39_D     R    39_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     V    40_D     V    40_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     L    41_D     L    41_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     D    42_D     D    42_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     W    43_D     W    43_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     I    44_D     I    44_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     M    45_D     M    45_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     A    46_D     A    46_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     E    47_D     E    47_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     A    48_D     A    48_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     D    49_D     D    49_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     N    50_D     N    50_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     D    51_D     D    51_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     L    52_D     L    52_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     C    53_D     C    53_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     Y    54_D     Y    54_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     F    55_D     F    55_D     29   57   69     43   47   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     I    56_D     I    56_D     29   57   69     14   39   49   50   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     G    57_D     G    57_D     29   57   69      3    4    5    9   31   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     T    58_D     T    58_D     29   57   69      3    4    5   40   51   53   53   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     H    59_D     H    59_D      7   31   69      3    4    7    8   11   17   28   35   42   51   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     D    60_D     D    60_D      7    9   69      4    6   10   19   29   34   35   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     K    61_D     K    61_D      7    9   69      4    6   10   22   29   42   50   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     C    62_D     C    62_D      7    9   69      4    6   10   22   35   46   51   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     E    63_D     E    63_D      7    9   69      4    6   10   22   29   42   51   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     N    64_D     N    64_D      7    9   69      4    6   10   22   29   42   51   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     P    65_D     P    65_D      7    9   69      4    6   10   22   29   34   47   55   58   60   61   62   62   64   65   65   67   67   67   68 
LCS_GDT     K    66_D     K    66_D      4    9   69      3    4    5    8   14   20   24   28   42   49   58   60   62   63   65   65   67   67   67   68 
LCS_GDT     E    67_D     E    67_D      3    9   69      3    3    4   12   14   20   28   35   37   39   44   48   52   56   63   65   67   67   67   68 
LCS_GDT     Q    68_D     Q    68_D      3    8   69      3    3    3    6   11   20   32   35   38   40   41   43   47   53   57   65   67   67   67   68 
LCS_GDT     W    69_D     W    69_D      3    3   69      3    3    3    6   11   17   28   35   37   39   41   48   52   55   62   65   67   67   67   68 
LCS_GDT     V    70_D     V    70_D      3    3   69      3    3    3    4   11   16   25   34   37   39   41   43   44   46   47   53   57   61   67   68 
LCS_GDT     A    71_D     A    71_D      3    4   49      3    3    3    4    6    8   14   26   30   38   41   43   44   46   46   48   50   53   58   61 
LCS_GDT     N    72_D     N    72_D      3    5   49      3    3    4    7   10   11   16   17   34   40   41   43   44   46   47   50   54   58   60   63 
LCS_GDT     Y    73_D     Y    73_D      4    5   49      3    4    4    5    6   10   16   30   35   40   41   43   44   46   46   49   52   57   59   62 
LCS_GDT     Q    74_D     Q    74_D      4    5   49      3    4    4    4    6   10   17   25   34   38   41   43   44   46   46   48   49   52   54   58 
LCS_GDT     N    75_D     N    75_D      4    5   49      3    4    5    6    9   10   13   18   26   30   38   43   44   46   46   48   49   50   51   53 
LCS_GDT     L    76_D     L    76_D      4    5   49      4    4    5    6    9   10   17   22   27   35   39   43   44   46   46   48   49   50   51   55 
LCS_GDT     N    77_D     N    77_D      4    5   49      4    4    6    7    9   10   17   19   26   30   38   43   44   46   46   48   49   52   54   57 
LCS_GDT     N    78_D     N    78_D      4    5   19      4    4    4    6    7    8   10   15   18   23   26   32   39   44   46   47   49   52   54   57 
LCS_GDT     V    79_D     V    79_D      4    5   19      4    4    4    5    5    7   10   12   15   20   24   31   39   44   46   47   49   51   54   57 
LCS_GDT     V    80_D     V    80_D      4    5   19      3    4    4    5    5    7   10   12   15   20   23   30   37   41   45   47   49   52   54   57 
LCS_GDT     F    81_D     F    81_D      4    5   33      3    4    4    5    6    9   12   13   28   32   36   36   38   39   40   45   47   52   54   57 
LCS_GDT     T    82_D     T    82_D      4    5   33      3    4    4    6    9   16   20   23   31   33   36   36   38   39   40   45   47   52   54   57 
LCS_GDT     N    83_D     N    83_D      4    4   33      3    4    5    6    8   11   19   22   29   33   36   36   38   39   40   45   47   52   54   57 
LCS_GDT     K    84_D     K    84_D      4    4   33      3    4    6    7   11   16   19   23   31   33   36   36   38   39   40   45   47   52   54   57 
LCS_GDT     E    85_D     E    85_D      3    4   33      3    4    6    7    9   10   12   15   21   24   31   36   38   39   40   45   47   52   54   57 
LCS_GDT     L    86_D     L    86_D      4    6   33      3    4    4    5    7    9   12   15   18   23   25   29   32   38   40   45   47   52   54   57 
LCS_GDT     E    87_D     E    87_D      4    6   33      3    4    4    5    7   10   12   15   18   21   23   28   28   32   35   41   45   48   50   54 
LCS_GDT     D    88_D     D    88_D      4    6   38      3    3    4    5    7   10   12   15   18   21   24   28   29   34   37   42   46   49   53   55 
LCS_GDT     I    89_D     I    89_D      4    6   38      3    3    4    5    7    9   12   15   18   23   27   34   38   39   40   45   47   52   54   57 
LCS_GDT     Y    90_D     Y    90_D      3    6   38      3    3    3    4    5    8   12   15   18   21   23   28   28   34   37   45   47   52   53   56 
LCS_GDT     D    91_D     D    91_D      4    6   38      4    4    4    4    5    8   13   15   18   21   23   28   28   34   36   42   47   52   53   55 
LCS_GDT     L    92_D     L    92_D      4    4   38      4    4    4    4    5    5    7   10   18   21   23   28   28   35   39   45   47   52   54   57 
LCS_GDT     S    93_D     S    93_D      4    4   38      4    4    4    4    5    5   10   12   17   19   23   28   28   37   40   45   47   52   54   57 
LCS_GDT     N    94_D     N    94_D      4    6   38      4    4    4    4    4    8   13   16   23   33   36   36   38   39   40   45   47   52   54   57 
LCS_GDT     K    95_D     K    95_D      6   31   38      5    6   10   17   27   31   31   31   31   33   36   36   38   39   40   45   47   52   54   57 
LCS_GDT     E    96_D     E    96_D      6   31   38      5    6   11   16   29   31   31   31   31   33   36   36   38   39   40   45   47   52   54   57 
LCS_GDT     E    97_D     E    97_D     29   31   38      5    5    9   16   29   31   31   31   31   33   36   36   38   39   40   45   47   52   54   57 
LCS_GDT     T    98_D     T    98_D     29   31   38      5   27   27   28   29   31   31   31   31   33   36   36   38   39   40   45   47   52   54   57 
LCS_GDT     K    99_D     K    99_D     29   31   38     17   27   27   28   29   31   31   31   31   33   36   36   38   39   40   42   47   52   54   57 
LCS_GDT     E   100_D     E   100_D     29   31   38     17   27   27   28   29   31   31   31   31   33   36   36   38   39   40   42   47   52   54   57 
LCS_GDT     V   101_D     V   101_D     29   31   38     23   27   27   28   29   31   31   31   31   33   36   36   38   39   40   45   47   52   54   57 
LCS_GDT     L   102_D     L   102_D     29   31   38     23   27   27   28   29   31   31   31   31   33   36   36   38   39   40   45   47   52   54   57 
LCS_GDT     K   103_D     K   103_D     29   31   38     23   27   27   28   29   31   31   31   31   33   36   36   38   39   40   45   47   52   54   57 
LCS_GDT     K   104_D     K   104_D     29   31   38     23   27   27   28   29   31   31   31   31   33   36   36   38   39   40   45   47   52   54   57 
LCS_GDT     F   105_D     F   105_D     29   31   38     23   27   27   28   29   31   31   31   31   33   36   36   38   39   40   45   47   52   54   57 
LCS_GDT     K   106_D     K   106_D     29   31   38     23   27   27   28   29   31   31   31   31   33   36   36   38   39   40   45   47   52   54   57 
LCS_GDT     E   107_D     E   107_D     29   31   38     23   27   27   28   29   31   31   31   31   33   36   36   38   39   40   45   47   52   54   57 
LCS_GDT     K   108_D     K   108_D     29   31   38     23   27   27   28   29   31   31   31   31   33   36   36   38   39   40   45   47   52   54   57 
LCS_GDT     V   109_D     V   109_D     29   31   38     23   27   27   28   29   31   31   31   31   33   36   36   38   39   40   45   47   52   54   57 
LCS_GDT     N   110_D     N   110_D     29   31   38     23   27   27   28   29   31   31   31   31   33   36   36   38   39   40   45   47   52   54   57 
LCS_GDT     Q   111_D     Q   111_D     29   31   38     23   27   27   28   29   31   31   31   31   33   36   36   38   39   40   45   47   52   53   57 
LCS_GDT     F   112_D     F   112_D     29   31   38     23   27   27   28   29   31   31   31   31   33   36   36   38   39   40   45   47   52   53   57 
LCS_GDT     Y   113_D     Y   113_D     29   31   38     23   27   27   28   29   31   31   31   31   33   36   36   38   39   40   45   47   52   54   57 
LCS_GDT     R   114_D     R   114_D     29   31   38     23   27   27   28   29   31   31   31   31   33   36   36   38   39   40   45   47   52   53   57 
LCS_GDT     H   115_D     H   115_D     29   31   38     23   27   27   28   29   31   31   31   31   33   36   36   38   39   40   45   47   52   53   55 
LCS_GDT     A   116_D     A   116_D     29   31   38     23   27   27   28   29   31   31   31   31   33   36   36   38   39   40   45   47   52   53   55 
LCS_GDT     F   117_D     F   117_D     29   31   38     23   27   27   28   29   31   31   31   31   33   36   36   38   39   40   45   47   52   53   57 
LCS_GDT     D   118_D     D   118_D     29   31   38     23   27   27   28   29   31   31   31   31   33   36   36   38   39   40   45   47   52   53   55 
LCS_GDT     I   119_D     I   119_D     29   31   38     23   27   27   28   29   31   31   31   31   33   36   36   38   39   40   45   47   52   53   55 
LCS_GDT     I   120_D     I   120_D     29   31   38     23   27   27   28   29   31   31   31   31   33   36   36   38   39   40   45   47   52   53   55 
LCS_GDT     N   121_D     N   121_D     29   31   38     23   27   27   28   29   31   31   31   31   33   36   36   38   39   40   45   47   52   53   55 
LCS_GDT     K   122_D     K   122_D     29   31   38     23   27   27   28   29   31   31   31   31   33   36   36   38   39   40   45   47   52   53   55 
LCS_GDT     Y   123_D     Y   123_D     29   31   38     23   27   27   28   29   31   31   31   31   33   36   36   38   39   40   42   47   50   53   55 
LCS_GDT     G   124_D     G   124_D     29   31   38      3   27   27   28   29   31   31   31   31   33   36   36   38   39   40   42   47   52   53   55 
LCS_GDT     L   125_D     L   125_D     29   31   38      3    8   25   28   29   31   31   31   31   33   36   36   38   39   40   45   47   52   53   55 
LCS_AVERAGE  LCS_A:  29.76  (  15.88   28.93   44.46 )

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     43     47     49     50     51     53     53     55     58     60     61     62     62     64     65     65     67     67     67     68 
GDT PERCENT_AT  34.68  37.90  39.52  40.32  41.13  42.74  42.74  44.35  46.77  48.39  49.19  50.00  50.00  51.61  52.42  52.42  54.03  54.03  54.03  54.84
GDT RMS_LOCAL    0.28   0.37   0.46   0.51   0.90   1.06   1.06   2.07   2.39   2.44   2.56   2.70   2.73   3.00   3.14   3.14   3.95   3.95   3.95   4.07
GDT RMS_ALL_AT  25.70  25.67  25.69  25.71  25.64  25.65  25.65  25.39  25.21  25.35  25.33  25.42  25.42  25.51  25.44  25.44  24.92  24.92  24.92  25.04

# Checking swapping
#   possible swapping detected:  D     2_D      D     2_D
#   possible swapping detected:  E     4_D      E     4_D
#   possible swapping detected:  E     8_D      E     8_D
#   possible swapping detected:  E    32_D      E    32_D
#   possible swapping detected:  F    36_D      F    36_D
#   possible swapping detected:  Y    54_D      Y    54_D
#   possible swapping detected:  E    63_D      E    63_D
#   possible swapping detected:  E    67_D      E    67_D
#   possible swapping detected:  Y    73_D      Y    73_D
#   possible swapping detected:  D    91_D      D    91_D
#   possible swapping detected:  E    96_D      E    96_D
#   possible swapping detected:  F   112_D      F   112_D

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     2_D      D     2_D     1.147     0    0.617   1.235     5.924   77.262   53.929
LGA    K     3_D      K     3_D     1.132     0    0.014   0.902     4.862   83.690   65.767
LGA    E     4_D      E     4_D     0.581     0    0.036   1.269     4.428   95.238   82.011
LGA    I     5_D      I     5_D     0.393     0    0.028   0.094     1.140   97.619   92.917
LGA    A     6_D      A     6_D     1.027     0    0.022   0.021     1.354   88.214   86.857
LGA    K     7_D      K     7_D     1.143     0    0.023   0.577     2.267   85.952   81.640
LGA    E     8_D      E     8_D     0.633     0    0.105   0.144     1.031   95.238   91.587
LGA    I     9_D      I     9_D     0.100     0    0.020   0.055     0.995  100.000   95.238
LGA    F    10_D      F    10_D     0.920     0    0.013   0.061     1.528   90.476   83.939
LGA    N    11_D      N    11_D     1.169     0    0.011   0.888     2.310   83.690   80.476
LGA    M    12_D      M    12_D     0.796     0    0.053   0.889     4.638   90.476   79.881
LGA    M    13_D      M    13_D     0.248     0    0.009   0.118     0.936  100.000   97.619
LGA    F    14_D      F    14_D     0.975     0    0.032   0.085     1.677   85.952   80.736
LGA    M    15_D      M    15_D     1.440     0    0.049   1.043     3.183   79.286   75.476
LGA    L    16_D      L    16_D     1.222     0    0.061   0.087     1.876   81.429   80.357
LGA    L    17_D      L    17_D     0.751     0    0.019   0.286     1.381   88.214   85.952
LGA    W    18_D      W    18_D     1.720     0    0.012   1.515     8.748   75.000   51.599
LGA    R    19_D      R    19_D     1.849     0    0.041   1.351     6.892   77.143   55.325
LGA    V    20_D      V    20_D     0.886     0    0.014   0.089     1.153   88.214   87.891
LGA    F    21_D      F    21_D     1.243     0    0.041   0.349     2.423   79.405   73.810
LGA    R    22_D      R    22_D     3.015     0    0.130   0.796     4.250   53.690   47.143
LGA    S    23_D      S    23_D     2.992     0    0.298   0.279     3.819   67.143   59.206
LGA    Q    24_D      Q    24_D     0.329     0    0.586   0.735     2.020   81.905   82.698
LGA    R    25_D      R    25_D     3.866     0    0.665   1.417    15.725   35.952   16.190
LGA    I    26_D      I    26_D     8.788     0    0.591   0.561    13.388    5.595    2.798
LGA    D    27_D      D    27_D     7.061     0    0.468   0.878     8.017   13.690   11.190
LGA    A    28_D      A    28_D     8.042     0    0.699   0.640     9.877   10.357    8.381
LGA    N    29_D      N    29_D     5.353     0    0.034   0.873     9.807   35.833   21.071
LGA    N    30_D      N    30_D     0.714     0    0.427   0.514     5.492   84.048   63.274
LGA    V    31_D      V    31_D     0.316     0    0.045   0.075     0.850   97.619   97.279
LGA    E    32_D      E    32_D     0.546     0    0.024   0.790     3.608   92.857   72.857
LGA    L    33_D      L    33_D     0.741     0    0.032   0.077     1.445   92.857   88.274
LGA    I    34_D      I    34_D     0.189     0    0.026   0.086     0.968  100.000   96.429
LGA    K    35_D      K    35_D     0.732     0    0.019   0.534     2.213   88.214   84.815
LGA    F    36_D      F    36_D     0.971     0    0.059   0.095     2.206   88.214   79.307
LGA    N    37_D      N    37_D     0.445     0    0.056   0.061     0.513   95.238   97.619
LGA    I    38_D      I    38_D     0.805     0    0.018   0.114     1.432   85.952   87.083
LGA    R    39_D      R    39_D     1.316     0    0.016   0.937     4.755   81.429   67.662
LGA    V    40_D      V    40_D     1.079     0    0.032   0.055     1.115   83.690   85.306
LGA    L    41_D      L    41_D     0.803     0    0.034   0.283     1.147   85.952   88.274
LGA    D    42_D      D    42_D     1.511     0    0.025   0.070     1.951   75.000   73.929
LGA    W    43_D      W    43_D     1.635     0    0.020   0.193     2.966   75.000   66.122
LGA    I    44_D      I    44_D     1.043     0    0.043   0.076     1.263   81.429   85.952
LGA    M    45_D      M    45_D     1.233     0    0.014   0.152     1.551   79.286   81.488
LGA    A    46_D      A    46_D     1.764     0    0.012   0.019     1.967   72.857   72.857
LGA    E    47_D      E    47_D     1.545     0    0.058   0.686     2.296   72.857   72.011
LGA    A    48_D      A    48_D     1.306     0    0.024   0.023     1.647   77.143   78.000
LGA    D    49_D      D    49_D     1.877     0    0.012   0.074     2.061   70.833   69.821
LGA    N    50_D      N    50_D     2.095     0    0.019   0.940     3.407   68.810   64.940
LGA    D    51_D      D    51_D     1.383     0    0.025   0.077     1.629   79.286   80.357
LGA    L    52_D      L    52_D     1.439     0    0.040   0.112     1.698   77.143   77.143
LGA    C    53_D      C    53_D     2.112     0    0.021   0.087     2.261   66.786   66.111
LGA    Y    54_D      Y    54_D     1.989     0    0.024   0.069     2.022   70.833   71.508
LGA    F    55_D      F    55_D     1.413     0    0.614   0.699     2.774   73.214   76.883
LGA    I    56_D      I    56_D     1.921     0    0.513   0.458     2.307   66.786   70.893
LGA    G    57_D      G    57_D     4.205     0    0.286   0.286     4.205   50.595   50.595
LGA    T    58_D      T    58_D     3.254     0    0.521   1.070     4.263   48.333   46.259
LGA    H    59_D      H    59_D     7.422     0    0.405   1.417    10.620   11.548    5.571
LGA    D    60_D      D    60_D     6.634     0    0.263   0.297     8.139   16.310   11.786
LGA    K    61_D      K    61_D     6.064     0    0.260   1.036     8.556   19.286   14.550
LGA    C    62_D      C    62_D     4.668     0    0.045   0.721     5.439   27.500   36.667
LGA    E    63_D      E    63_D     5.558     0    0.158   0.561     7.463   26.310   19.577
LGA    N    64_D      N    64_D     5.600     0    0.055   0.198     7.285   19.405   18.036
LGA    P    65_D      P    65_D     5.938     0    0.623   0.570     6.493   20.476   25.374
LGA    K    66_D      K    66_D     8.232     0    0.619   1.274    15.767    3.810    1.693
LGA    E    67_D      E    67_D    13.316     0    0.595   0.955    16.856    0.000    0.000
LGA    Q    68_D      Q    68_D    14.574     0    0.646   1.152    18.950    0.000    0.000
LGA    W    69_D      W    69_D    14.252     0    0.557   0.895    16.708    0.000    0.000
LGA    V    70_D      V    70_D    19.101     0    0.533   0.569    21.882    0.000    0.000
LGA    A    71_D      A    71_D    24.171     0    0.644   0.604    25.412    0.000    0.000
LGA    N    72_D      N    72_D    24.792     0    0.411   0.349    26.534    0.000    0.000
LGA    Y    73_D      Y    73_D    25.176     0    0.446   1.373    27.742    0.000    0.000
LGA    Q    74_D      Q    74_D    30.419     0    0.021   0.982    33.589    0.000    0.000
LGA    N    75_D      N    75_D    35.367     0    0.266   0.344    38.171    0.000    0.000
LGA    L    76_D      L    76_D    32.254     0    0.524   0.799    33.491    0.000    0.000
LGA    N    77_D      N    77_D    36.507     0    0.055   0.876    40.210    0.000    0.000
LGA    N    78_D      N    78_D    40.333     0    0.454   0.506    45.039    0.000    0.000
LGA    V    79_D      V    79_D    35.960     0    0.102   1.137    37.214    0.000    0.000
LGA    V    80_D      V    80_D    36.402     0    0.618   0.626    39.326    0.000    0.000
LGA    F    81_D      F    81_D    39.647     0    0.543   0.601    43.617    0.000    0.000
LGA    T    82_D      T    82_D    46.701     0    0.650   0.543    47.985    0.000    0.000
LGA    N    83_D      N    83_D    48.765     0    0.268   0.857    53.245    0.000    0.000
LGA    K    84_D      K    84_D    51.564     0    0.594   1.025    56.421    0.000    0.000
LGA    E    85_D      E    85_D    48.270     0    0.620   0.726    51.583    0.000    0.000
LGA    L    86_D      L    86_D    44.307     0    0.618   0.986    45.646    0.000    0.000
LGA    E    87_D      E    87_D    48.948     0    0.590   1.393    53.184    0.000    0.000
LGA    D    88_D      D    88_D    48.536     0    0.341   0.370    53.996    0.000    0.000
LGA    I    89_D      I    89_D    41.209     0    0.201   1.389    43.975    0.000    0.000
LGA    Y    90_D      Y    90_D    41.797     0    0.598   1.382    44.406    0.000    0.000
LGA    D    91_D      D    91_D    47.055     0    0.660   1.199    48.882    0.000    0.000
LGA    L    92_D      L    92_D    45.811     0    0.023   0.113    49.688    0.000    0.000
LGA    S    93_D      S    93_D    40.574     0    0.469   0.710    42.554    0.000    0.000
LGA    N    94_D      N    94_D    40.528     0    0.068   0.235    42.607    0.000    0.000
LGA    K    95_D      K    95_D    40.807     0    0.610   0.991    43.324    0.000    0.000
LGA    E    96_D      E    96_D    38.971     0    0.030   1.131    44.736    0.000    0.000
LGA    E    97_D      E    97_D    31.645     0    0.086   0.837    34.322    0.000    0.000
LGA    T    98_D      T    98_D    32.456     0    0.173   1.028    34.437    0.000    0.000
LGA    K    99_D      K    99_D    37.734     0    0.027   0.810    47.755    0.000    0.000
LGA    E   100_D      E   100_D    34.075     0    0.006   1.427    35.069    0.000    0.000
LGA    V   101_D      V   101_D    28.109     0    0.021   0.160    30.171    0.000    0.000
LGA    L   102_D      L   102_D    32.547     0    0.038   1.345    35.783    0.000    0.000
LGA    K   103_D      K   103_D    36.635     0    0.008   0.520    46.028    0.000    0.000
LGA    K   104_D      K   104_D    31.061     0    0.019   0.403    32.834    0.000    0.000
LGA    F   105_D      F   105_D    28.033     0    0.015   1.440    29.991    0.000    0.000
LGA    K   106_D      K   106_D    34.563     0    0.045   1.000    43.750    0.000    0.000
LGA    E   107_D      E   107_D    35.715     0    0.026   1.045    38.978    0.000    0.000
LGA    K   108_D      K   108_D    28.955     0    0.037   0.077    31.079    0.000    0.000
LGA    V   109_D      V   109_D    29.497     0    0.025   0.043    31.777    0.000    0.000
LGA    N   110_D      N   110_D    36.350     0    0.013   0.025    41.578    0.000    0.000
LGA    Q   111_D      Q   111_D    34.357     0    0.045   0.142    34.689    0.000    0.000
LGA    F   112_D      F   112_D    28.333     0    0.016   1.458    30.287    0.000    0.000
LGA    Y   113_D      Y   113_D    32.734     0    0.024   1.396    34.616    0.000    0.000
LGA    R   114_D      R   114_D    37.972     0    0.016   0.323    43.693    0.000    0.000
LGA    H   115_D      H   115_D    33.511     0    0.015   1.152    34.633    0.000    0.000
LGA    A   116_D      A   116_D    29.683     0    0.028   0.026    31.839    0.000    0.000
LGA    F   117_D      F   117_D    35.962     0    0.046   0.044    38.772    0.000    0.000
LGA    D   118_D      D   118_D    39.875     0    0.015   0.036    43.930    0.000    0.000
LGA    I   119_D      I   119_D    35.069     0    0.038   0.088    36.587    0.000    0.000
LGA    I   120_D      I   120_D    35.672     0    0.023   0.080    39.371    0.000    0.000
LGA    N   121_D      N   121_D    43.238     0    0.034   0.061    45.862    0.000    0.000
LGA    K   122_D      K   122_D    44.280     0    0.021   0.675    46.462    0.000    0.000
LGA    Y   123_D      Y   123_D    39.776     0    0.028   1.358    42.248    0.000    0.000
LGA    G   124_D      G   124_D    36.768     0    0.060   0.060    38.645    0.000    0.000
LGA    L   125_D      L   125_D    43.148     0    0.165   0.233    47.434    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00    1059   1059  100.00               124
SUMMARY(RMSD_GDC):    14.829         14.811                 15.708           36.077   33.693

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  124    4.0     55    2.07    43.750    40.562     2.539

LGA_LOCAL      RMSD:   2.066  Number of atoms:   55  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  25.387  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  14.829  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.432027 * X  +   0.529740 * Y  +   0.729882 * Z  +  -6.144639
  Y_new =  -0.804408 * X  +  -0.139581 * Y  +   0.577447 * Z  + -35.059078
  Z_new =   0.407775 * X  +  -0.836596 * Y  +   0.365824 * Z  +  67.395515 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.077930 -0.420016 -1.158573   [DEG:  -61.7609  -24.0651  -66.3813 ]
ZXZ:  2.240119  1.196278  2.688058   [DEG:  128.3493   68.5417  154.0144 ]
 
# END of job
