
#######################################################
#                                                     #
#                        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  117 (  950),  selected  116 , name one
# Molecule2: number of CA atoms  116 (  942),  selected  116 , 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:    27      36_B - 62_B        4.89    17.25
  LONGEST_CONTINUOUS_SEGMENT:    27      37_B - 63_B        4.75    17.63
  LONGEST_CONTINUOUS_SEGMENT:    27      38_B - 64_B        4.92    18.19
  LCS_AVERAGE:     20.25

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16     101_B - 116_B       1.43    30.60
  LONGEST_CONTINUOUS_SEGMENT:    16     102_B - 117_B       1.61    29.99
  LCS_AVERAGE:      8.92

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15     102_B - 116_B       0.95    30.37
  LCS_AVERAGE:      6.12

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  116
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     T     2_C     T     2_B      5   11   16      3    4    5    8   10   11   13   13   13   13   14   14   16   16   18   20   22   22   24   26 
LCS_GDT     K     3_C     K     3_B      5   11   16      4    4    6    9   10   11   13   13   13   13   14   14   16   16   18   24   27   30   41   48 
LCS_GDT     S     4_C     S     4_B      5   11   16      4    4    6    9   10   11   13   13   13   13   14   14   16   17   18   24   27   43   51   57 
LCS_GDT     K     5_C     K     5_B      5   11   16      4    4    6    9   10   11   13   13   13   13   14   20   23   28   43   46   52   55   60   61 
LCS_GDT     M     6_C     M     6_B      5   11   25      4    4    6    9   10   11   13   13   14   21   28   36   41   47   52   55   59   60   61   62 
LCS_GDT     L     7_C     L     7_B      5   11   25      3    4    6    9   10   11   13   13   18   25   33   40   44   50   55   57   59   60   61   63 
LCS_GDT     S     8_C     S     8_B      4   11   25      3    4    6    9   10   11   16   23   31   35   40   49   53   54   56   58   59   61   62   65 
LCS_GDT     N     9_C     N     9_B      5   12   25      3    4    5    9   13   20   25   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     I    10_C     I    10_B      9   12   25      3    6   12   17   19   22   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     V    11_C     V    11_B      9   12   25      3    8   12   17   19   22   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     I    12_C     I    12_B      9   12   25      4    8   12   17   19   22   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     Q    13_C     Q    13_B      9   12   25      5    8   12   17   19   22   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     E    14_C     E    14_B      9   12   25      5    8   12   17   19   22   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     V    15_C     V    15_B      9   12   25      5    8   12   17   19   22   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     K    16_C     K    16_B      9   12   25      5    8   12   17   19   22   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     F    17_C     F    17_B      9   12   25      4    8   12   17   19   22   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     A    18_C     A    18_B      9   12   25      3    7   11   17   19   22   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     I    19_C     I    19_B      4   12   25      3    4    9   13   18   22   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     E    20_C     E    20_B      4   12   25      3    4    5   12   16   20   25   28   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     D    21_C     D    21_B      5   12   25      4    4    5    7   12   21   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     Y    22_C     Y    22_B      5    9   25      4    4    5    9   12   14   21   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     C    23_C     C    23_B      5    9   25      4    4    6    9   12   17   25   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     A    24_C     A    24_B      5    9   25      4    5    6    9   11   14   21   25   33   40   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     I    25_C     I    25_B      5    9   25      3    5    7    9   12   14   18   26   33   40   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     L    26_C     L    26_B      5    9   25      3    5    7    9   12   14   21   26   33   40   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     S    27_C     S    27_B      5    9   25      3    5    7    9   11   13   18   26   33   40   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     F    28_C     F    28_B      5    9   25      3    5    7    9   11   13   23   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     A    29_C     A    29_B      5    9   25      3    5    7    9   11   12   15   24   33   39   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     S    30_C     S    30_B      5    9   25      3    5    7    9   11   13   15   24   32   38   43   50   53   54   56   58   59   61   62   65 
LCS_GDT     D    31_C     D    31_B      4    8   25      3    4    5    7    9   13   16   20   23   25   27   37   43   50   54   56   59   61   62   65 
LCS_GDT     S    32_C     S    32_B      3    7   18      3    4    5    7    9   13   15   18   22   25   26   29   32   33   41   43   51   55   59   65 
LCS_GDT     Y    33_C     Y    33_B      5    7   18      3    5    5    7    9   13   14   17   22   25   26   30   32   35   38   46   52   55   60   65 
LCS_GDT     E    34_C     E    34_B      5    7   18      4    5    5    6    8   10   13   14   17   23   24   29   32   33   34   37   44   47   51   57 
LCS_GDT     V    35_C     V    35_B      5    7   18      4    5    5    6    8   10   14   16   20   23   27   34   40   47   49   53   57   61   62   65 
LCS_GDT     P    36_C     P    36_B      5    6   27      4    5    7    7   11   12   15   21   32   38   42   49   53   54   56   58   59   61   62   65 
LCS_GDT     E    37_C     E    37_B      5   10   27      4    5   12   16   19   22   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     Q    38_C     Q    38_B      5   10   27      5    8   11   17   19   22   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     Y    39_C     Y    39_B      6   10   27      5    7    8   12   16   20   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     F    40_C     F    40_B      6   10   27      5    8   10   13   16   20   25   29   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     I    41_C     I    41_B      6   10   27      5    8   13   14   16   20   25   29   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     I    42_C     I    42_B      6   10   27      5    8   13   14   19   22   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     T    43_C     T    43_B      6   10   27      5    8   13   17   19   22   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     R    44_C     R    44_B      6   10   27      5    8   10   17   19   22   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     S    45_C     S    45_B      5   10   27      3    4    6   10   15   16   22   28   35   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     T    46_C     T    46_B      4   10   27      3    4    6    8   15   16   18   22   26   35   43   49   53   54   56   58   59   61   62   65 
LCS_GDT     T    47_C     T    47_B      4   10   27      3    4    4   10   15   20   22   28   35   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     E    48_C     E    48_B      4   10   27      3    4    4    9   15   18   23   27   35   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     R    49_C     R    49_B      4    5   27      3    3    4    5    5   10   14   15   19   25   27   31   36   42   48   54   59   60   61   63 
LCS_GDT     S    50_C     S    50_B      4    5   27      3    3    4    5    5    8    8   10   13   18   23   31   33   41   47   51   55   57   61   63 
LCS_GDT     G    51_C     G    51_B      4    7   27      3    3    4    5    6    8    9   13   21   34   41   48   50   53   55   58   59   61   62   64 
LCS_GDT     G    52_C     G    52_B     10   11   27      6    7   13   14   18   22   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     I    53_C     I    53_B     10   11   27      6    7   13   14   16   19   25   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     P    54_C     P    54_B     10   11   27      6    7   13   14   16   21   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     E    55_C     E    55_B     10   11   27      6    7   13   14   16   20   25   28   35   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     G    56_C     G    56_B     10   11   27      6    7   13   14   16   20   25   28   35   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     D    57_C     D    57_B     10   11   27      6    7   13   14   16   20   25   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     I    58_C     I    58_B     10   11   27      5    8   13   14   16   22   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     Y    59_C     Y    59_B     10   11   27      4    8   13   14   19   22   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     L    60_C     L    60_B     10   11   27      5    8   13   17   19   22   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     E    61_C     E    61_B     10   11   27      4    8   13   17   19   22   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     S    62_C     S    62_B      4   11   27      3    4   11   17   19   22   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     N    63_C     N    63_B      4    6   27      3    4    9   10   13   15   16   19   27   35   41   44   51   54   56   58   59   61   62   65 
LCS_GDT     L    64_C     L    64_B      4    6   27      3    4    5    6    7   10   14   17   19   23   31   40   48   52   56   58   59   61   62   65 
LCS_GDT     F    65_C     F    65_B      5    6   12      3    4    5    6    7    9   14   16   19   23   27   30   30   33   38   45   49   57   61   62 
LCS_GDT     L    66_C     L    66_B      5    6   14      3    4    5    6    7    9   14   16   19   23   27   30   30   33   38   42   48   51   55   58 
LCS_GDT     D    67_C     D    67_B      5    6   14      3    4    5    6    7    9   12   14   17   21   27   30   30   33   38   42   48   51   54   58 
LCS_GDT     F    68_C     F    68_B      5    6   14      3    4    6    7    7    9   12   13   15   21   27   30   30   33   38   42   48   51   54   62 
LCS_GDT     N    69_C     N    69_B      5    6   14      4    4    6    7    8   10   12   13   15   18   23   24   29   33   38   43   48   51   61   62 
LCS_GDT     P    70_C     P    70_B      5    6   15      4    4    6    7    8   10   11   12   14   17   19   22   24   26   30   35   46   47   50   51 
LCS_GDT     Y    71_C     Y    71_B      5    6   16      4    4    6    7    7   10   11   12   14   17   19   23   26   29   38   43   52   58   61   62 
LCS_GDT     G    72_C     G    72_B      5    7   16      4    4    5    7    8   10   12   14   15   18   23   29   37   45   51   56   58   58   61   62 
LCS_GDT     L    73_C     L    73_B      4    7   16      3    4    5    6   11   11   13   16   25   31   39   44   51   54   56   58   59   61   62   65 
LCS_GDT     S    74_C     S    74_B      4    7   16      4    4    5   13   14   18   21   25   32   36   43   48   53   54   56   58   59   61   62   65 
LCS_GDT     G    75_C     G    75_B      5    7   16      4    4    5    9   16   20   25   30   36   41   46   50   53   54   55   58   59   61   62   65 
LCS_GDT     Y    76_C     Y    76_B      5    7   16      4    4    5    8   15   20   22   27   33   40   45   50   51   54   55   57   59   61   62   65 
LCS_GDT     L    77_C     L    77_B      5    7   16      4    4    5    7   10   12   14   17   24   29   32   37   45   49   51   52   56   57   61   63 
LCS_GDT     L    78_C     L    78_B      5    7   25      3    4    5    7    8    9   14   18   20   22   27   35   41   43   49   52   53   57   61   63 
LCS_GDT     S    79_C     S    79_B      5    6   25      3    4    5    7    8    9   14   18   20   22   24   35   41   43   47   48   53   56   61   63 
LCS_GDT     E    80_C     E    80_B      3    5   25      3    3    3    5    8    9   14   18   20   21   26   35   41   43   47   52   53   57   61   63 
LCS_GDT     P    81_C     P    81_B      3    9   25      3    3    3    7    9   11   13   18   23   25   26   31   35   43   47   48   53   57   61   63 
LCS_GDT     N    82_C     N    82_B      5    9   25      3    5    6    7    9   11   16   20   23   27   32   39   45   49   52   54   56   57   61   63 
LCS_GDT     C    83_C     C    83_B      5    9   25      4    5    6    7    9   12   20   25   32   36   42   50   51   54   55   57   59   61   62   65 
LCS_GDT     V    84_C     V    84_B      5    9   25      4    5    9   17   19   22   26   30   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     D    85_C     D    85_B      5    9   25      4    5    6   11   13   17   23   29   35   41   46   49   53   54   56   58   59   61   62   65 
LCS_GDT     L    86_C     L    86_B      5    9   25      4    5    6    7   11   11   16   20   26   31   39   45   51   54   56   58   59   61   62   65 
LCS_GDT     L    87_C     L    87_B      5    9   25      3    5    6    7    9   11   16   20   23   25   27   34   40   49   52   56   58   58   61   62 
LCS_GDT     I    88_C     I    88_B      5    9   25      3    5    6    7    8   11   16   20   23   25   26   29   30   33   38   43   52   58   61   62 
LCS_GDT     E    89_C     E    89_B      5    9   25      3    5    6    7    9   11   14   20   23   25   26   29   30   31   33   37   41   42   43   50 
LCS_GDT     P    90_C     P    90_B      5    9   25      3    5    5    7    9   11   16   20   23   25   26   29   30   31   33   35   37   40   42   47 
LCS_GDT     N    91_C     N    91_B      3   11   25      3    3    6    7   11   12   16   20   23   25   26   29   30   31   33   35   37   40   42   44 
LCS_GDT     N    92_C     N    92_B      5   11   25      3    4    6    9   11   12   16   20   23   25   26   29   30   31   33   37   37   40   42   44 
LCS_GDT     Y    93_C     Y    93_B      7   11   25      4    6    9    9   11   12   16   20   23   25   26   29   30   31   33   37   41   42   48   51 
LCS_GDT     V    94_C     V    94_B      8   11   25      4    6    9    9   11   12   16   20   23   25   27   30   30   33   38   43   50   56   61   62 
LCS_GDT     R    95_C     R    95_B      8   11   25      4    6    9    9   11   12   16   20   23   25   27   30   40   47   52   56   58   58   61   62 
LCS_GDT     L    96_C     L    96_B      8   11   25      4    6    9    9   11   12   16   20   27   34   43   49   53   54   56   58   59   61   62   65 
LCS_GDT     R    97_C     R    97_B      8   11   25      4    8   12   17   19   22   26   29   36   41   46   50   53   54   56   58   59   61   62   65 
LCS_GDT     L    98_C     L    98_B      8   11   25      4    6    9    9   11   12   17   25   32   36   41   50   51   54   55   58   59   61   62   65 
LCS_GDT     I    99_C     I    99_B      8   11   25      4    6    9    9   11   13   16   20   23   26   29   40   45   51   54   56   57   60   61   65 
LCS_GDT     E   100_C     E   100_B      8   11   25      3    5    9    9   10   12   16   20   23   25   26   31   41   43   50   52   55   57   61   63 
LCS_GDT     K   101_C     K   101_B      8   16   25      4    5    9    9   13   15   16   20   23   25   26   29   33   37   41   44   48   50   57   60 
LCS_GDT     I   102_C     I   102_B     15   16   25      4    4    6   14   15   15   16   17   22   25   26   29   32   33   41   43   46   50   54   57 
LCS_GDT     D   103_C     D   103_B     15   16   25      6   14   14   14   15   15   16   17   22   23   24   29   32   33   34   35   37   39   45   48 
LCS_GDT     I   104_C     I   104_B     15   16   25     11   14   14   14   15   15   16   17   19   23   24   29   32   33   34   34   37   39   42   44 
LCS_GDT     L   105_C     L   105_B     15   16   22     11   14   14   14   15   15   16   17   22   23   24   29   32   33   34   34   37   39   41   44 
LCS_GDT     E   106_C     E   106_B     15   16   22     11   14   14   14   15   15   16   17   22   23   24   29   32   33   34   34   37   39   42   44 
LCS_GDT     V   107_C     V   107_B     15   16   22     11   14   14   14   15   15   16   17   22   23   24   29   32   33   34   34   37   39   42   44 
LCS_GDT     E   108_C     E   108_B     15   16   22     11   14   14   14   15   15   16   17   22   23   24   29   32   33   34   34   37   39   40   42 
LCS_GDT     N   109_C     N   109_B     15   16   22     11   14   14   14   15   15   16   17   22   23   24   29   32   33   34   34   37   39   40   42 
LCS_GDT     H   110_C     H   110_B     15   16   22     11   14   14   14   15   15   16   17   22   23   24   29   32   33   34   34   37   39   42   44 
LCS_GDT     L   111_C     L   111_B     15   16   22     11   14   14   14   15   15   16   17   22   23   24   29   32   33   34   34   37   39   40   42 
LCS_GDT     K   112_C     K   112_B     15   16   22     10   14   14   14   15   15   16   17   22   23   24   29   32   33   34   34   37   39   40   42 
LCS_GDT     F   113_C     F   113_B     15   16   22     11   14   14   14   15   15   16   17   22   23   24   29   32   33   34   34   37   39   40   42 
LCS_GDT     L   114_C     L   114_B     15   16   22     11   14   14   14   15   15   16   17   22   23   24   29   32   33   34   34   37   39   40   42 
LCS_GDT     F   115_C     F   115_B     15   16   22     11   14   14   14   15   15   16   17   22   23   24   29   32   33   34   34   37   39   40   42 
LCS_GDT     D   116_C     D   116_B     15   16   22     11   14   14   14   15   15   16   17   22   23   24   29   32   33   34   34   37   39   40   42 
LCS_GDT     N   117_C     N   117_B      3   16   22      3    3    3    3    6   11   15   15   17   20   24   29   32   33   34   34   37   39   40   42 
LCS_AVERAGE  LCS_A:  11.76  (   6.12    8.92   20.25 )

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     11     14     14     17     19     22     26     30     36     41     46     50     53     54     56     58     59     61     62     65 
GDT PERCENT_AT   9.48  12.07  12.07  14.66  16.38  18.97  22.41  25.86  31.03  35.34  39.66  43.10  45.69  46.55  48.28  50.00  50.86  52.59  53.45  56.03
GDT RMS_LOCAL    0.33   0.40   0.40   1.45   1.56   2.03   2.42   2.93   3.16   3.47   3.77   4.15   4.30   4.39   4.67   4.80   4.87   5.10   5.26   6.04
GDT RMS_ALL_AT  30.72  30.77  30.77  18.56  18.66  18.21  17.98  17.60  17.67  17.57  17.49  17.45  17.52  17.57  17.66  17.59  17.47  17.51  17.50  17.58

# Checking swapping
#   possible swapping detected:  E    14_C      E    14_B
#   possible swapping detected:  F    17_C      F    17_B
#   possible swapping detected:  D    21_C      D    21_B
#   possible swapping detected:  F    28_C      F    28_B
#   possible swapping detected:  F    40_C      F    40_B
#   possible swapping detected:  E    48_C      E    48_B
#   possible swapping detected:  E    55_C      E    55_B
#   possible swapping detected:  Y    59_C      Y    59_B
#   possible swapping detected:  E    61_C      E    61_B
#   possible swapping detected:  D    67_C      D    67_B
#   possible swapping detected:  F    68_C      F    68_B
#   possible swapping detected:  Y    76_C      Y    76_B
#   possible swapping detected:  E    80_C      E    80_B
#   possible swapping detected:  D    85_C      D    85_B
#   possible swapping detected:  Y    93_C      Y    93_B
#   possible swapping detected:  E   108_C      E   108_B
#   possible swapping detected:  F   113_C      F   113_B
#   possible swapping detected:  F   115_C      F   115_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     2_C      T     2_B    32.218     0    0.120   0.222    34.786    0.000    0.000
LGA    K     3_C      K     3_B    26.420     0    0.101   0.954    28.346    0.000    0.000
LGA    S     4_C      S     4_B    23.431     0    0.067   0.200    24.857    0.000    0.000
LGA    K     5_C      K     5_B    18.845     0    0.031   0.988    20.848    0.000    0.000
LGA    M     6_C      M     6_B    14.437     0    0.130   1.202    15.658    0.000    0.000
LGA    L     7_C      L     7_B    13.186     0    0.666   1.348    16.765    0.000    0.000
LGA    S     8_C      S     8_B     8.440     0    0.041   0.577     9.770    8.929    7.222
LGA    N     9_C      N     9_B     3.682     0    0.226   1.251     5.318   45.952   40.238
LGA    I    10_C      I    10_B     2.369     0    0.114   0.766     3.643   60.952   57.381
LGA    V    11_C      V    11_B     3.159     0    0.054   1.345     5.539   57.262   47.279
LGA    I    12_C      I    12_B     2.805     0    0.024   0.102     3.122   55.357   56.250
LGA    Q    13_C      Q    13_B     2.198     0    0.043   0.910     4.319   68.810   59.365
LGA    E    14_C      E    14_B     1.755     0    0.017   0.628     2.755   72.857   75.926
LGA    V    15_C      V    15_B     2.550     0    0.022   1.336     5.462   62.857   56.054
LGA    K    16_C      K    16_B     2.191     0    0.017   0.483     3.150   59.167   67.778
LGA    F    17_C      F    17_B     2.975     0    0.104   1.230     3.760   60.952   65.281
LGA    A    18_C      A    18_B     2.353     0    0.168   0.226     2.938   60.952   60.190
LGA    I    19_C      I    19_B     2.376     0    0.621   0.647     4.581   54.762   56.964
LGA    E    20_C      E    20_B     4.606     0    0.667   0.969    11.659   38.810   19.947
LGA    D    21_C      D    21_B     3.006     0    0.325   0.841     4.132   51.786   46.012
LGA    Y    22_C      Y    22_B     4.437     0    0.067   0.448     6.865   40.238   27.937
LGA    C    23_C      C    23_B     3.548     0    0.194   0.670     4.148   45.000   45.714
LGA    A    24_C      A    24_B     5.711     0    0.072   0.102     6.169   22.619   21.524
LGA    I    25_C      I    25_B     5.798     0    0.071   0.083     5.960   21.429   21.429
LGA    L    26_C      L    26_B     5.958     0    0.170   0.920     8.309   17.262   16.190
LGA    S    27_C      S    27_B     5.682     0    0.050   0.631     7.897   25.119   20.794
LGA    F    28_C      F    28_B     4.469     0    0.194   1.254    10.264   32.857   20.519
LGA    A    29_C      A    29_B     6.397     0    0.024   0.025     7.490   18.214   16.571
LGA    S    30_C      S    30_B     7.297     0    0.680   0.819     9.826    9.048    7.302
LGA    D    31_C      D    31_B    12.278     0    0.674   1.095    15.504    0.000    0.000
LGA    S    32_C      S    32_B    17.954     0    0.542   0.469    21.374    0.000    0.000
LGA    Y    33_C      Y    33_B    17.888     0    0.681   0.635    18.454    0.000    0.000
LGA    E    34_C      E    34_B    20.660     0    0.125   1.424    28.303    0.000    0.000
LGA    V    35_C      V    35_B    14.773     0    0.103   1.333    16.732    0.000    0.000
LGA    P    36_C      P    36_B     8.338     0    0.013   0.112    12.190    9.762    5.986
LGA    E    37_C      E    37_B     2.898     0    0.634   1.182     6.466   65.833   45.291
LGA    Q    38_C      Q    38_B     1.795     0    0.052   0.874     7.478   75.238   52.698
LGA    Y    39_C      Y    39_B     3.686     0    0.072   1.373    10.300   40.476   28.571
LGA    F    40_C      F    40_B     4.587     0    0.030   0.182     4.694   34.286   32.468
LGA    I    41_C      I    41_B     4.593     0    0.029   0.160     5.024   35.833   32.976
LGA    I    42_C      I    42_B     3.715     0    0.031   0.070     4.896   43.452   41.964
LGA    T    43_C      T    43_B     2.716     0    0.023   0.177     3.643   65.000   60.748
LGA    R    44_C      R    44_B     1.019     0    0.030   0.217     6.110   65.595   49.177
LGA    S    45_C      S    45_B     4.959     0    0.666   0.804     6.804   30.000   25.079
LGA    T    46_C      T    46_B     6.671     0    0.030   0.042     9.500   19.524   12.449
LGA    T    47_C      T    47_B     4.982     0    0.688   0.616     7.842   20.357   23.061
LGA    E    48_C      E    48_B     6.269     0    0.058   1.163     8.318   13.214   25.450
LGA    R    49_C      R    49_B    12.180     0    0.587   1.468    23.019    0.119    0.043
LGA    S    50_C      S    50_B    13.176     0    0.584   0.761    17.131    0.000    0.000
LGA    G    51_C      G    51_B     7.659     0    0.646   0.646     9.547   12.738   12.738
LGA    G    52_C      G    52_B     1.810     0    0.661   0.661     3.353   63.095   63.095
LGA    I    53_C      I    53_B     4.659     0    0.022   0.181     9.454   37.262   22.619
LGA    P    54_C      P    54_B     3.192     0    0.006   0.044     5.704   37.976   38.503
LGA    E    55_C      E    55_B     5.662     0    0.048   1.046    12.310   30.476   15.026
LGA    G    56_C      G    56_B     5.916     0    0.031   0.031     6.138   22.738   22.738
LGA    D    57_C      D    57_B     4.469     0    0.044   0.245     6.786   43.929   32.381
LGA    I    58_C      I    58_B     2.467     0    0.071   1.029     5.877   57.381   49.345
LGA    Y    59_C      Y    59_B     1.129     0    0.046   1.226    10.518   77.262   43.016
LGA    L    60_C      L    60_B     2.166     0    0.080   1.051     4.938   77.381   63.214
LGA    E    61_C      E    61_B     2.665     0    0.664   1.119     5.458   47.619   53.333
LGA    S    62_C      S    62_B     2.421     0    0.664   0.830     4.752   51.548   56.270
LGA    N    63_C      N    63_B     9.059     0    0.175   1.158    12.021    3.810    1.905
LGA    L    64_C      L    64_B    10.122     0    0.079   1.361    11.488    0.714    0.952
LGA    F    65_C      F    65_B    15.126     0    0.144   1.150    23.955    0.000    0.000
LGA    L    66_C      L    66_B    15.945     0    0.057   0.949    16.450    0.000    0.000
LGA    D    67_C      D    67_B    18.433     0    0.112   0.921    22.507    0.000    0.000
LGA    F    68_C      F    68_B    18.204     0    0.096   1.210    19.466    0.000    0.000
LGA    N    69_C      N    69_B    20.087     0    0.207   0.811    20.773    0.000    0.000
LGA    P    70_C      P    70_B    21.545     0    0.061   0.152    23.791    0.000    0.000
LGA    Y    71_C      Y    71_B    20.241     0    0.101   0.174    25.407    0.000    0.000
LGA    G    72_C      G    72_B    17.252     0    0.680   0.680    18.053    0.000    0.000
LGA    L    73_C      L    73_B    10.287     0    0.053   1.333    12.846    0.119    3.750
LGA    S    74_C      S    74_B     7.656     0    0.686   0.606     8.157   12.619   11.429
LGA    G    75_C      G    75_B     4.304     0    0.093   0.093     4.432   40.357   40.357
LGA    Y    76_C      Y    76_B     6.792     0    0.007   1.417    10.662    9.048    5.000
LGA    L    77_C      L    77_B    12.650     0    0.036   1.259    15.704    0.000    0.000
LGA    L    78_C      L    78_B    17.863     0    0.654   0.784    20.146    0.000    0.000
LGA    S    79_C      S    79_B    19.830     0    0.660   0.782    20.429    0.000    0.000
LGA    E    80_C      E    80_B    19.158     0    0.179   1.044    21.863    0.000    0.000
LGA    P    81_C      P    81_B    17.963     0    0.094   0.490    20.093    0.000    0.000
LGA    N    82_C      N    82_B    13.788     0    0.450   1.006    17.364    0.000    0.000
LGA    C    83_C      C    83_B     7.644     0    0.077   0.175     9.599   13.810   11.905
LGA    V    84_C      V    84_B     2.620     0    0.039   1.332     4.903   46.190   47.823
LGA    D    85_C      D    85_B     5.213     0    0.151   1.107     6.483   31.310   27.619
LGA    L    86_C      L    86_B     9.414     0    0.139   0.944    13.598    1.548    3.869
LGA    L    87_C      L    87_B    16.126     0    0.036   1.369    18.890    0.000    0.000
LGA    I    88_C      I    88_B    20.023     0    0.058   0.233    24.269    0.000    0.000
LGA    E    89_C      E    89_B    26.749     0    0.021   0.882    28.524    0.000    0.000
LGA    P    90_C      P    90_B    32.143     0    0.618   0.763    35.017    0.000    0.000
LGA    N    91_C      N    91_B    32.277     0    0.034   1.207    35.529    0.000    0.000
LGA    N    92_C      N    92_B    26.985     0    0.670   1.261    31.592    0.000    0.000
LGA    Y    93_C      Y    93_B    22.265     0    0.097   1.424    24.447    0.000    0.000
LGA    V    94_C      V    94_B    16.382     0    0.050   1.308    18.123    0.000    0.000
LGA    R    95_C      R    95_B    12.595     0    0.016   1.384    18.457    0.000    0.000
LGA    L    96_C      L    96_B     5.909     0    0.168   1.246     7.976   27.262   25.060
LGA    R    97_C      R    97_B     3.756     0    0.035   0.970     6.776   29.881   28.225
LGA    L    98_C      L    98_B     7.605     0    0.022   1.267     9.003    9.405    8.095
LGA    I    99_C      I    99_B    12.390     0    0.166   1.305    15.287    0.000    0.000
LGA    E   100_C      E   100_B    17.583     0    0.643   1.077    22.128    0.000    0.000
LGA    K   101_C      K   101_B    23.406     0    0.639   0.882    31.448    0.000    0.000
LGA    I   102_C      I   102_B    23.914     0    0.055   0.670    24.980    0.000    0.000
LGA    D   103_C      D   103_B    28.338     0    0.252   0.818    33.229    0.000    0.000
LGA    I   104_C      I   104_B    26.800     0    0.075   0.916    27.966    0.000    0.000
LGA    L   105_C      L   105_B    31.291     0    0.071   1.415    34.990    0.000    0.000
LGA    E   106_C      E   106_B    31.239     0    0.007   0.643    31.817    0.000    0.000
LGA    V   107_C      V   107_B    27.075     0    0.018   1.337    28.448    0.000    0.000
LGA    E   108_C      E   108_B    29.670     0    0.042   1.195    32.366    0.000    0.000
LGA    N   109_C      N   109_B    34.761     0    0.009   0.078    37.577    0.000    0.000
LGA    H   110_C      H   110_B    32.585     0    0.082   1.169    33.842    0.000    0.000
LGA    L   111_C      L   111_B    31.376     0    0.010   1.222    34.513    0.000    0.000
LGA    K   112_C      K   112_B    36.642     0    0.073   0.910    41.358    0.000    0.000
LGA    F   113_C      F   113_B    39.892     0    0.065   1.440    44.563    0.000    0.000
LGA    L   114_C      L   114_B    37.893     0    0.020   1.247    40.616    0.000    0.000
LGA    F   115_C      F   115_B    39.702     0    0.211   1.108    42.930    0.000    0.000
LGA    D   116_C      D   116_B    45.226     0    0.601   0.831    48.296    0.000    0.000
LGA    N   117_C      N   117_B    46.798     0    0.121   1.066    49.707    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      116     464    464  100.00     942    942  100.00               116
SUMMARY(RMSD_GDC):    16.491         16.489                 17.118           19.788   17.570

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0     30    2.92    25.647    22.046     0.995

LGA_LOCAL      RMSD:   2.916  Number of atoms:   30  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  17.649  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:  16.491  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.230466 * X  +   0.869931 * Y  +   0.436010 * Z  + -22.415573
  Y_new =  -0.559375 * X  +   0.248199 * Y  +  -0.790883 * Z  +  -9.912992
  Z_new =  -0.796232 * X  +  -0.426165 * Y  +   0.429417 * Z  +  -2.994277 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.961609  0.921041 -0.781598   [DEG: -112.3919   52.7717  -44.7822 ]
ZXZ:  0.503837  1.126950 -2.062227   [DEG:   28.8677   64.5695 -118.1569 ]
 
# END of job
