
#######################################################
#                                                     #
#                        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:    36      82_B - 117_B       4.61    16.48
  LCS_AVERAGE:     22.47

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      91_B - 116_B       1.92    16.45
  LCS_AVERAGE:     10.99

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16     101_B - 116_B       0.93    15.65
  LCS_AVERAGE:      6.28

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      7    7   17      3    5    7    8    8    8   11   12   16   18   23   28   31   33   36   37   39   42   46   49 
LCS_GDT     K     3_C     K     3_B      7    7   17      3    5    7    8    8    9   11   12   16   18   24   28   32   33   36   38   41   43   51   53 
LCS_GDT     S     4_C     S     4_B      7    7   25      3    5    7    8    8    9   11   17   18   20   25   29   32   34   38   43   48   49   54   55 
LCS_GDT     K     5_C     K     5_B      7    7   27      3    5    7    8    8    9   14   20   24   26   31   36   39   43   46   50   52   55   55   57 
LCS_GDT     M     6_C     M     6_B      7    7   27      3    5    7    8    8   12   17   24   31   39   42   45   47   50   52   53   53   55   57   59 
LCS_GDT     L     7_C     L     7_B      7    8   27      3    5    7    8    9   14   20   27   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     S     8_C     S     8_B      7   12   27      3    4    7    8    9   12   22   27   33   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     N     9_C     N     9_B      7   13   27      3    5    9   14   18   23   25   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     I    10_C     I    10_B      9   13   27      3    9   12   17   20   23   25   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     V    11_C     V    11_B      9   13   27      3    9   13   17   20   23   25   29   33   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     I    12_C     I    12_B      9   13   27      4    9   13   17   20   23   25   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     Q    13_C     Q    13_B      9   13   27      4    9   13   17   20   23   25   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     E    14_C     E    14_B      9   13   27      4    9   13   17   20   23   25   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     V    15_C     V    15_B      9   13   27      5    9   13   17   20   23   25   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     K    16_C     K    16_B      9   13   27      5    9   13   17   20   23   25   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     F    17_C     F    17_B      9   13   27      5    9   13   17   20   23   25   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     A    18_C     A    18_B      9   13   27      5    9   12   16   20   23   25   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     I    19_C     I    19_B      4   13   27      3    3   11   17   20   23   25   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     E    20_C     E    20_B      4   13   27      3    8   10   16   19   23   25   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     D    21_C     D    21_B      5   13   27      4    5    6    8   11   20   25   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     Y    22_C     Y    22_B      5    9   27      4    4    6    9    9   11   14   25   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     C    23_C     C    23_B      5    9   27      4    4    6    9    9   11   22   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     A    24_C     A    24_B      5    9   27      4    5    6    9    9   10   15   22   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     I    25_C     I    25_B      5    9   27      3    5    6    9    9   10   15   23   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     L    26_C     L    26_B      6    9   27      3    5    6    9    9   10   14   23   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     S    27_C     S    27_B      6    9   27      3    5    6    9    9   10   14   23   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     F    28_C     F    28_B      6    9   27      3    5    6    9    9   11   18   27   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     A    29_C     A    29_B      6    9   27      3    5    6    9    9   11   15   25   33   38   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     S    30_C     S    30_B      6    9   27      3    5    6    9    9   11   15   25   31   36   41   44   48   50   52   53   53   55   57   59 
LCS_GDT     D    31_C     D    31_B      6    8   27      3    4    6    8    9   10   10   13   17   22   35   39   41   44   49   51   53   55   57   59 
LCS_GDT     S    32_C     S    32_B      4    5   20      3    4    4    4    5    7    8   11   15   17   23   28   31   32   35   38   39   44   50   56 
LCS_GDT     Y    33_C     Y    33_B      4    5   20      3    4    4    4    5    7    8   11   15   16   18   23   27   30   33   38   44   44   47   56 
LCS_GDT     E    34_C     E    34_B      4    5   20      3    4    4    5    5    7    8   11   15   16   17   22   27   30   32   38   44   44   51   56 
LCS_GDT     V    35_C     V    35_B      4    6   20      3    4    4    5    5    7   10   11   16   19   31   39   40   42   47   51   53   55   57   58 
LCS_GDT     P    36_C     P    36_B      4    6   20      3    4    4    8    9   11   15   26   33   38   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     E    37_C     E    37_B      5   11   20      3    5    7   14   17   23   25   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     Q    38_C     Q    38_B      5   12   20      3    6   13   17   20   23   25   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     Y    39_C     Y    39_B      6   12   20      3    8   10   14   19   23   25   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     F    40_C     F    40_B      6   12   20      3    8   10   14   18   22   24   27   31   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     I    41_C     I    41_B      6   12   20      3    8   13   16   20   23   25   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     I    42_C     I    42_B      6   12   20      4    8   13   17   20   25   27   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     T    43_C     T    43_B      6   12   20      5    9   13   17   20   23   27   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     R    44_C     R    44_B      6   12   20      4    8    9   17   20   23   25   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     S    45_C     S    45_B      6   12   20      3    5    9   10   16   21   25   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     T    46_C     T    46_B      4   12   20      3    4    7    8   11   13   16   21   28   35   39   45   48   50   52   53   53   55   57   59 
LCS_GDT     T    47_C     T    47_B      4   12   20      3    4    5    9   11   13   16   17   19   27   35   38   43   49   52   53   53   55   57   59 
LCS_GDT     E    48_C     E    48_B      4   12   20      3    4    4    6    9   13   14   20   24   24   30   30   35   39   44   50   51   53   56   58 
LCS_GDT     R    49_C     R    49_B      4   12   20      3    4    6    9   11   14   18   20   24   24   30   30   35   39   44   50   51   53   54   56 
LCS_GDT     S    50_C     S    50_B      4    5   20      0    3    4    7    9   12   16   20   24   24   30   30   35   39   44   50   51   53   54   56 
LCS_GDT     G    51_C     G    51_B      4    6   20      1    3    4    4    6    6    8   11   13   17   22   24   27   31   34   36   42   46   52   55 
LCS_GDT     G    52_C     G    52_B      4    6   20      3    4    4    5    6    9   10   11   15   16   17   20   24   29   33   36   39   41   43   46 
LCS_GDT     I    53_C     I    53_B      4    6   20      3    4    4    5    6    9   10   11   15   16   18   24   29   40   45   49   51   53   56   58 
LCS_GDT     P    54_C     P    54_B      4    6   14      3    4    4    4    6    8    9   11   17   24   31   38   43   49   52   53   53   55   57   59 
LCS_GDT     E    55_C     E    55_B      4    7   14      3    4    4    5    9   13   21   25   31   35   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     G    56_C     G    56_B      6    7   14      5    8   10   13   14   21   24   28   33   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     D    57_C     D    57_B      6    7   14      5    8   10   13   17   21   24   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     I    58_C     I    58_B      6    7   14      5    8   10   14   20   23   25   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     Y    59_C     Y    59_B      6    7   14      5    8   10   17   20   23   25   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     L    60_C     L    60_B      6    7   14      5    9   12   17   20   23   25   29   33   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     E    61_C     E    61_B      6    7   14      0    6   10   13   14   15   16   18   22   29   34   44   48   50   52   53   53   55   57   59 
LCS_GDT     S    62_C     S    62_B      4    7   14      3    3    4    4    6    8   10   12   17   22   26   28   32   37   45   48   51   54   55   59 
LCS_GDT     N    63_C     N    63_B      4    6   14      3    3    5    6    6    7    9   10   17   22   26   32   39   43   48   50   52   54   56   59 
LCS_GDT     L    64_C     L    64_B      4    6   12      3    3    4    5    6    8    9   11   13   14   18   27   32   35   40   48   50   52   54   55 
LCS_GDT     F    65_C     F    65_B      4    6   12      3    4    4    5    6    8    9   11   13   14   18   20   22   25   38   44   45   49   52   53 
LCS_GDT     L    66_C     L    66_B      4    6   14      3    4    4    5    6    8    9   11   13   14   18   20   22   28   33   41   45   49   52   55 
LCS_GDT     D    67_C     D    67_B      4    6   14      3    4    4    5    6    8    9   11   13   14   18   24   29   30   38   44   45   49   52   55 
LCS_GDT     F    68_C     F    68_B      5    6   18      3    4    5    5   11   13   14   17   20   23   25   30   34   38   43   50   51   53   54   56 
LCS_GDT     N    69_C     N    69_B      5    6   22      4    4    5    5    7    9   11   13   20   23   25   30   34   38   44   50   51   53   54   56 
LCS_GDT     P    70_C     P    70_B      5    6   22      4    4    5    5    6    7   11   11   17   21   24   30   35   39   44   50   51   53   54   56 
LCS_GDT     Y    71_C     Y    71_B      5    7   22      4    4    5    6    9   10   11   12   15   18   20   22   26   31   34   39   48   51   54   55 
LCS_GDT     G    72_C     G    72_B      5    7   22      4    4    5    6   12   13   16   17   18   21   24   30   36   39   44   50   51   53   54   56 
LCS_GDT     L    73_C     L    73_B      4    7   22      3    4    4    6    9   12   16   21   27   35   42   44   46   48   50   51   53   55   57   59 
LCS_GDT     S    74_C     S    74_B      6    7   22      4    8    9   13   17   21   21   29   35   39   42   45   48   50   51   53   53   55   57   59 
LCS_GDT     G    75_C     G    75_B      6    7   22      4    8    9   11   15   18   23   28   33   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     Y    76_C     Y    76_B      6    7   22      4    5    7   10   11   14   20   24   29   33   38   41   45   48   52   53   53   55   57   59 
LCS_GDT     L    77_C     L    77_B      6    7   22      4    5    6    6    9   10   14   17   20   22   27   31   38   43   45   49   50   51   54   57 
LCS_GDT     L    78_C     L    78_B      6    7   23      3    5    6    9   11   12   13   15   17   21   24   29   32   36   40   43   46   49   53   54 
LCS_GDT     S    79_C     S    79_B      6    7   23      3    5    6    9   11   12   13   15   17   21   24   29   31   36   38   41   46   49   53   54 
LCS_GDT     E    80_C     E    80_B      3    5   23      3    3    4    8   11   12   13   15   17   21   24   29   31   36   38   43   46   49   53   54 
LCS_GDT     P    81_C     P    81_B      3    9   23      3    3    3    4    7    9   11   13   17   21   24   29   31   36   38   41   45   48   53   54 
LCS_GDT     N    82_C     N    82_B      8    9   36      5    7    9   10   11   12   13   16   20   21   24   29   34   39   42   46   51   53   54   56 
LCS_GDT     C    83_C     C    83_B      8    9   36      5    7    9   10   10   11   13   16   20   22   25   31   38   43   45   49   51   53   56   58 
LCS_GDT     V    84_C     V    84_B      8    9   36      5    7    9   10   11   14   20   24   29   33   38   42   45   50   52   53   53   55   57   59 
LCS_GDT     D    85_C     D    85_B      8    9   36      5    7   13   17   20   23   25   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     L    86_C     L    86_B      8    9   36      5    7    9   10   14   21   25   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     L    87_C     L    87_B      8    9   36      3    7    9   10   10   12   14   16   21   24   33   40   43   46   47   50   52   53   55   56 
LCS_GDT     I    88_C     I    88_B      8    9   36      3    7    9   10   12   13   16   17   28   31   32   33   35   39   44   50   51   53   54   56 
LCS_GDT     E    89_C     E    89_B      8    9   36      3    4    8   10   10   11   16   17   20   21   26   31   35   39   44   50   51   53   54   56 
LCS_GDT     P    90_C     P    90_B      3    9   36      3    3    4    5    9   11   13   21   28   31   32   33   35   39   44   50   51   53   54   56 
LCS_GDT     N    91_C     N    91_B      7   26   36      3    3    7   14   18   24   27   28   28   31   32   33   35   39   44   50   51   53   54   56 
LCS_GDT     N    92_C     N    92_B      7   26   36      3    5   17   20   23   25   27   28   28   31   32   33   34   39   44   50   51   53   54   56 
LCS_GDT     Y    93_C     Y    93_B      7   26   36      3    5   10   20   23   25   27   28   28   31   32   33   35   39   44   50   51   53   54   56 
LCS_GDT     V    94_C     V    94_B      7   26   36      3   11   17   20   23   25   27   28   28   31   32   33   34   39   44   50   51   53   54   56 
LCS_GDT     R    95_C     R    95_B      7   26   36      3   11   17   20   23   25   27   28   30   35   42   44   47   49   50   53   53   55   57   59 
LCS_GDT     L    96_C     L    96_B      7   26   36      3   11   17   20   23   25   27   29   35   39   42   45   48   50   52   53   53   55   57   59 
LCS_GDT     R    97_C     R    97_B      7   26   36      3   10   17   20   23   25   27   28   29   35   41   44   48   50   52   53   53   55   57   59 
LCS_GDT     L    98_C     L    98_B      7   26   36      3   10   17   20   23   25   27   28   28   31   32   33   38   43   46   50   52   55   56   59 
LCS_GDT     I    99_C     I    99_B      7   26   36      3    7   10   15   21   25   27   28   28   31   32   33   34   39   44   50   51   53   54   56 
LCS_GDT     E   100_C     E   100_B      7   26   36      3    7   10   15   18   20   26   28   28   31   32   33   34   39   44   50   51   53   54   56 
LCS_GDT     K   101_C     K   101_B     16   26   36      3    4    6   18   23   25   27   28   28   31   32   33   35   39   44   50   51   53   54   56 
LCS_GDT     I   102_C     I   102_B     16   26   36      3   15   16   20   23   25   27   28   28   31   32   33   35   39   44   50   51   53   54   56 
LCS_GDT     D   103_C     D   103_B     16   26   36     13   15   16   20   23   25   27   28   28   31   32   33   35   39   44   50   51   53   54   56 
LCS_GDT     I   104_C     I   104_B     16   26   36     11   15   15   18   23   25   27   28   28   31   32   33   35   39   44   50   51   53   54   56 
LCS_GDT     L   105_C     L   105_B     16   26   36     13   15   16   20   23   25   27   28   28   31   32   33   35   39   44   50   51   53   54   56 
LCS_GDT     E   106_C     E   106_B     16   26   36     13   15   17   20   23   25   27   28   28   31   32   33   35   39   44   50   51   53   54   56 
LCS_GDT     V   107_C     V   107_B     16   26   36     13   15   17   20   23   25   27   28   28   31   32   33   35   39   44   50   51   53   54   56 
LCS_GDT     E   108_C     E   108_B     16   26   36     13   15   17   20   23   25   27   28   28   31   32   33   35   39   44   50   51   53   54   56 
LCS_GDT     N   109_C     N   109_B     16   26   36     13   15   17   20   23   25   27   28   28   31   32   33   35   39   44   50   51   53   54   56 
LCS_GDT     H   110_C     H   110_B     16   26   36     13   15   17   20   23   25   27   28   28   31   32   33   35   39   44   50   51   53   54   56 
LCS_GDT     L   111_C     L   111_B     16   26   36     13   15   17   20   23   25   27   28   28   31   32   33   34   39   44   50   51   53   54   56 
LCS_GDT     K   112_C     K   112_B     16   26   36     13   15   17   20   23   25   27   28   28   31   32   33   34   39   44   50   51   53   54   56 
LCS_GDT     F   113_C     F   113_B     16   26   36     13   15   17   20   23   25   27   28   28   31   32   33   34   39   43   50   51   53   54   56 
LCS_GDT     L   114_C     L   114_B     16   26   36     13   15   17   20   23   25   27   28   28   31   32   33   34   39   43   50   51   53   54   56 
LCS_GDT     F   115_C     F   115_B     16   26   36     13   15   17   20   23   25   27   28   28   31   32   33   34   39   43   50   51   53   54   56 
LCS_GDT     D   116_C     D   116_B     16   26   36     13   15   17   20   23   25   27   28   28   31   32   33   34   39   42   48   51   53   54   55 
LCS_GDT     N   117_C     N   117_B      3   17   36      3    3    3    3   10   14   18   24   26   27   30   31   34   39   43   50   51   53   54   56 
LCS_AVERAGE  LCS_A:  13.25  (   6.28   10.99   22.47 )

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     13     15     17     20     23     25     27     29     35     39     42     45     48     50     52     53     53     55     57     59 
GDT PERCENT_AT  11.21  12.93  14.66  17.24  19.83  21.55  23.28  25.00  30.17  33.62  36.21  38.79  41.38  43.10  44.83  45.69  45.69  47.41  49.14  50.86
GDT RMS_LOCAL    0.33   0.41   0.97   1.14   1.34   1.67   1.97   2.58   3.44   3.55   3.71   3.96   4.23   4.46   4.81   4.78   4.78   4.99   5.39   5.73
GDT RMS_ALL_AT  15.60  15.59  16.41  16.32  16.28  16.37  16.33  15.96  15.86  15.76  15.80  15.77  15.70  15.57  15.44  15.58  15.53  15.56  15.57  15.50

# Checking swapping
#   possible swapping detected:  E    14_C      E    14_B
#   possible swapping detected:  F    17_C      F    17_B
#   possible swapping detected:  E    20_C      E    20_B
#   possible swapping detected:  Y    22_C      Y    22_B
#   possible swapping detected:  Y    33_C      Y    33_B
#   possible swapping detected:  E    34_C      E    34_B
#   possible swapping detected:  E    37_C      E    37_B
#   possible swapping detected:  E    55_C      E    55_B
#   possible swapping detected:  Y    59_C      Y    59_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:  E   100_C      E   100_B
#   possible swapping detected:  D   103_C      D   103_B
#   possible swapping detected:  E   108_C      E   108_B
#   possible swapping detected:  F   113_C      F   113_B
#   possible swapping detected:  D   116_C      D   116_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     2_C      T     2_B    29.180     0    0.102   0.207    31.329    0.000    0.000
LGA    K     3_C      K     3_B    24.059     0    0.028   0.520    25.727    0.000    0.000
LGA    S     4_C      S     4_B    20.668     0    0.127   0.542    22.070    0.000    0.000
LGA    K     5_C      K     5_B    14.759     0    0.157   0.936    20.727    0.000    0.000
LGA    M     6_C      M     6_B     8.864     0    0.060   1.161    10.854    5.714    3.571
LGA    L     7_C      L     7_B     6.290     0    0.647   1.339    11.240   22.024   13.393
LGA    S     8_C      S     8_B     5.729     0    0.686   0.812     9.257   27.619   19.127
LGA    N     9_C      N     9_B     2.286     0    0.148   0.675     3.548   67.262   61.429
LGA    I    10_C      I    10_B     1.707     0    0.119   0.762     2.983   72.857   67.917
LGA    V    11_C      V    11_B     2.303     0    0.045   1.345     3.939   66.786   58.707
LGA    I    12_C      I    12_B     2.189     0    0.025   0.119     2.535   62.857   63.810
LGA    Q    13_C      Q    13_B     1.905     0    0.008   1.049     4.319   72.857   64.497
LGA    E    14_C      E    14_B     0.991     0    0.059   0.553     1.639   88.214   86.614
LGA    V    15_C      V    15_B     1.640     0    0.010   1.331     4.590   77.143   67.075
LGA    K    16_C      K    16_B     1.698     0    0.082   0.486     3.502   66.905   67.884
LGA    F    17_C      F    17_B     2.165     0    0.072   1.273     5.175   64.881   56.580
LGA    A    18_C      A    18_B     2.454     0    0.292   0.356     2.832   66.786   64.857
LGA    I    19_C      I    19_B     1.310     0    0.617   0.631     5.179   77.619   60.060
LGA    E    20_C      E    20_B     2.680     0    0.658   0.913     8.266   61.190   37.884
LGA    D    21_C      D    21_B     3.724     0    0.269   0.486     4.374   43.690   44.405
LGA    Y    22_C      Y    22_B     5.913     0    0.110   0.216     8.446   22.619   13.413
LGA    C    23_C      C    23_B     5.029     0    0.176   0.799     5.221   27.500   35.317
LGA    A    24_C      A    24_B     6.563     0    0.051   0.081     7.141   16.190   14.952
LGA    I    25_C      I    25_B     6.449     0    0.029   0.131     6.571   16.190   15.238
LGA    L    26_C      L    26_B     6.615     0    0.129   0.896     7.201   12.500   15.595
LGA    S    27_C      S    27_B     6.591     0    0.073   0.634     8.578   16.190   12.937
LGA    F    28_C      F    28_B     5.651     0    0.204   1.214    12.710   20.357   10.823
LGA    A    29_C      A    29_B     7.354     0    0.027   0.025     8.550   10.833    9.238
LGA    S    30_C      S    30_B     7.850     0    0.617   0.822     9.779    4.643    4.365
LGA    D    31_C      D    31_B    12.422     0    0.620   1.146    16.263    0.000    0.000
LGA    S    32_C      S    32_B    19.491     0    0.201   0.617    22.722    0.000    0.000
LGA    Y    33_C      Y    33_B    19.582     0    0.676   1.013    24.050    0.000    0.000
LGA    E    34_C      E    34_B    18.906     0    0.386   0.494    26.260    0.000    0.000
LGA    V    35_C      V    35_B    13.560     0    0.253   1.354    15.439    0.000    0.000
LGA    P    36_C      P    36_B     7.300     0    0.015   0.296    11.509   14.524    8.980
LGA    E    37_C      E    37_B     3.017     0    0.624   1.144     7.603   53.690   35.767
LGA    Q    38_C      Q    38_B     1.936     0    0.034   1.261     8.707   75.119   45.820
LGA    Y    39_C      Y    39_B     3.511     0    0.050   1.384    10.965   40.476   25.992
LGA    F    40_C      F    40_B     4.359     0    0.124   1.229     4.898   41.905   37.879
LGA    I    41_C      I    41_B     2.867     0    0.030   0.197     3.581   59.167   55.536
LGA    I    42_C      I    42_B     2.042     0    0.046   0.139     2.693   68.810   66.845
LGA    T    43_C      T    43_B     1.451     0    0.101   0.942     3.417   83.810   75.850
LGA    R    44_C      R    44_B     0.856     0    0.022   0.298     5.785   81.786   55.844
LGA    S    45_C      S    45_B     3.798     0    0.054   0.658     5.236   39.524   37.778
LGA    T    46_C      T    46_B     7.247     0    0.651   0.577     9.399    8.929    9.048
LGA    T    47_C      T    47_B    10.518     0    0.091   0.103    14.536    0.357    0.884
LGA    E    48_C      E    48_B    16.936     0    0.111   1.271    21.880    0.000    0.000
LGA    R    49_C      R    49_B    21.305     0    0.629   1.469    24.161    0.000    0.000
LGA    S    50_C      S    50_B    25.738     0    0.666   0.839    28.844    0.000    0.000
LGA    G    51_C      G    51_B    27.022     0    0.345   0.345    27.022    0.000    0.000
LGA    G    52_C      G    52_B    23.894     0    0.668   0.668    25.124    0.000    0.000
LGA    I    53_C      I    53_B    17.032     0    0.017   0.717    20.767    0.000    0.000
LGA    P    54_C      P    54_B    11.145     0    0.141   0.172    13.406    1.429    0.884
LGA    E    55_C      E    55_B     6.317     0    0.665   0.955     8.147   22.619   16.931
LGA    G    56_C      G    56_B     5.133     0    0.589   0.589     5.133   31.548   31.548
LGA    D    57_C      D    57_B     4.240     0    0.121   0.988     4.608   42.143   41.310
LGA    I    58_C      I    58_B     1.916     0    0.137   1.079     4.642   69.048   62.798
LGA    Y    59_C      Y    59_B     0.985     0    0.120   0.438     5.519   80.119   54.405
LGA    L    60_C      L    60_B     2.558     0    0.198   0.913     4.152   63.333   55.952
LGA    E    61_C      E    61_B     6.070     0    0.269   1.281     9.719   12.143   25.714
LGA    S    62_C      S    62_B    11.013     0    0.601   0.845    13.400    0.714    0.476
LGA    N    63_C      N    63_B    10.937     0    0.009   1.160    12.835    0.000    0.000
LGA    L    64_C      L    64_B    11.927     0    0.052   1.342    12.731    0.000    0.000
LGA    F    65_C      F    65_B    15.911     0    0.185   0.492    20.966    0.000    0.000
LGA    L    66_C      L    66_B    15.147     0    0.014   0.985    15.713    0.000    0.000
LGA    D    67_C      D    67_B    17.427     0    0.025   0.878    21.741    0.000    0.000
LGA    F    68_C      F    68_B    17.102     0    0.117   1.228    19.225    0.000    0.000
LGA    N    69_C      N    69_B    18.497     0    0.199   0.802    18.664    0.000    0.000
LGA    P    70_C      P    70_B    20.790     0    0.047   0.135    24.047    0.000    0.000
LGA    Y    71_C      Y    71_B    18.690     0    0.078   0.244    27.525    0.000    0.000
LGA    G    72_C      G    72_B    14.667     0    0.650   0.650    15.762    0.000    0.000
LGA    L    73_C      L    73_B     7.293     0    0.078   1.241    10.081    6.548   12.976
LGA    S    74_C      S    74_B     5.320     0    0.688   0.600     5.375   28.929   30.873
LGA    G    75_C      G    75_B     5.981     0    0.025   0.025     6.863   23.333   23.333
LGA    Y    76_C      Y    76_B    10.748     0    0.141   1.125    22.044    0.357    0.119
LGA    L    77_C      L    77_B    15.987     0    0.130   1.384    19.031    0.000    0.000
LGA    L    78_C      L    78_B    21.871     0    0.662   0.778    24.346    0.000    0.000
LGA    S    79_C      S    79_B    24.434     0    0.689   0.848    25.710    0.000    0.000
LGA    E    80_C      E    80_B    24.876     0    0.014   0.939    29.336    0.000    0.000
LGA    P    81_C      P    81_B    25.322     0    0.321   0.370    27.117    0.000    0.000
LGA    N    82_C      N    82_B    21.403     0    0.504   0.978    25.073    0.000    0.000
LGA    C    83_C      C    83_B    14.847     0    0.118   0.191    17.055    0.000    0.000
LGA    V    84_C      V    84_B     9.357     0    0.028   0.066    12.528    7.024    5.102
LGA    D    85_C      D    85_B     2.667     0    0.082   0.104     6.010   49.881   44.464
LGA    L    86_C      L    86_B     3.309     0    0.069   1.036     6.487   42.500   53.929
LGA    L    87_C      L    87_B     9.850     0    0.010   1.368    12.785    1.905    0.952
LGA    I    88_C      I    88_B    15.708     0    0.009   0.226    18.916    0.000    0.000
LGA    E    89_C      E    89_B    22.477     0    0.093   1.314    24.728    0.000    0.000
LGA    P    90_C      P    90_B    28.328     0    0.148   0.474    30.910    0.000    0.000
LGA    N    91_C      N    91_B    28.685     0    0.036   0.775    32.805    0.000    0.000
LGA    N    92_C      N    92_B    23.365     0    0.571   0.521    27.788    0.000    0.000
LGA    Y    93_C      Y    93_B    17.333     0    0.074   1.392    22.882    0.000    0.000
LGA    V    94_C      V    94_B    10.788     0    0.050   1.309    12.892    1.905    1.224
LGA    R    95_C      R    95_B     5.469     0    0.017   0.231     9.509   28.690   21.948
LGA    L    96_C      L    96_B     1.999     0    0.116   1.002     5.152   58.690   55.000
LGA    R    97_C      R    97_B     7.236     0    0.099   1.339    15.607    7.857    3.680
LGA    L    98_C      L    98_B    14.129     0    0.020   1.201    15.949    0.000    0.000
LGA    I    99_C      I    99_B    19.940     0    0.608   1.671    24.134    0.000    0.000
LGA    E   100_C      E   100_B    24.426     0    0.664   1.244    31.221    0.000    0.000
LGA    K   101_C      K   101_B    26.919     0    0.640   0.469    29.768    0.000    0.000
LGA    I   102_C      I   102_B    26.574     0    0.219   1.132    26.902    0.000    0.000
LGA    D   103_C      D   103_B    29.572     0    0.102   0.964    34.331    0.000    0.000
LGA    I   104_C      I   104_B    24.889     0    0.039   0.322    26.718    0.000    0.000
LGA    L   105_C      L   105_B    30.258     0    0.028   1.413    35.365    0.000    0.000
LGA    E   106_C      E   106_B    29.418     0    0.010   1.114    33.161    0.000    0.000
LGA    V   107_C      V   107_B    21.892     0    0.010   1.339    24.641    0.000    0.000
LGA    E   108_C      E   108_B    23.839     0    0.017   1.119    29.093    0.000    0.000
LGA    N   109_C      N   109_B    28.191     0    0.007   0.098    34.101    0.000    0.000
LGA    H   110_C      H   110_B    22.373     0    0.050   0.540    26.102    0.000    0.000
LGA    L   111_C      L   111_B    18.647     0    0.010   1.225    20.584    0.000    0.000
LGA    K   112_C      K   112_B    25.240     0    0.049   0.875    35.094    0.000    0.000
LGA    F   113_C      F   113_B    24.563     0    0.073   1.451    25.028    0.000    0.000
LGA    L   114_C      L   114_B    17.403     0    0.035   1.257    19.845    0.000    0.000
LGA    F   115_C      F   115_B    20.676     0    0.241   1.178    23.923    0.000    0.000
LGA    D   116_C      D   116_B    26.757     0    0.611   1.312    31.964    0.000    0.000
LGA    N   117_C      N   117_B    26.008     0    0.100   1.083    31.225    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):    14.566         14.470                 15.209           19.312   16.979

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0     29    2.58    25.216    22.485     1.082

LGA_LOCAL      RMSD:   2.581  Number of atoms:   29  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  15.961  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:  14.566  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.179955 * X  +   0.644022 * Y  +   0.743540 * Z  + -20.106356
  Y_new =  -0.917615 * X  +  -0.382235 * Y  +   0.108990 * Z  + -15.637873
  Z_new =   0.354399 * X  +  -0.662671 * Y  +   0.659749 * Z  +   0.754888 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.764450 -0.362271 -0.787607   [DEG: -101.0955  -20.7566  -45.1266 ]
ZXZ:  1.716343  0.850311  2.650491   [DEG:   98.3392   48.7193  151.8619 ]
 
# END of job
