
#######################################################
#                                                     #
#                        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  124 ( 1034),  selected  104 , name one
# Molecule2: number of CA atoms  104 (  843),  selected  104 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    68      18_A - 85_A        4.98    24.78
  LCS_AVERAGE:     53.05

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    37      47_A - 83_A        1.99    23.76
  LONGEST_CONTINUOUS_SEGMENT:    37      49_A - 85_A        1.97    23.68
  LCS_AVERAGE:     21.27

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      57_A - 85_A        0.95    24.10
  LCS_AVERAGE:     12.81

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  104
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     K    17_A     K    17_A      3    3   64      0    3    3    3    3    3    4    4    5    7   14   35   48   53   58   60   63   63   65   67 
LCS_GDT     E    18_A     E    18_A      3    3   68      0    3    4    4    4    7    8   20   31   40   45   51   58   61   62   64   64   65   65   67 
LCS_GDT     E    19_A     E    19_A      3    4   68      0    3    4   11   16   21   22   25   31   39   43   51   57   60   61   64   64   65   65   67 
LCS_GDT     M    20_A     M    20_A      3    7   68      3    3    4    4    5    5   10   16   19   27   28   32   41   45   49   51   54   60   63   65 
LCS_GDT     N    21_A     N    21_A      6    8   68      3    4    6    6    8   10   10   13   14   15   17   20   22   27   37   39   41   52   53   54 
LCS_GDT     K    22_A     K    22_A      6    8   68      3    4    6    6    8   10   11   13   14   16   20   27   32   41   45   48   51   56   60   65 
LCS_GDT     V    23_A     V    23_A      6    8   68      3    4    6    6    8   10   11   15   29   30   34   40   47   51   57   61   63   65   65   66 
LCS_GDT     H    24_A     H    24_A      6    8   68      3    4    7    7   19   24   32   39   43   49   57   58   60   61   62   64   64   65   65   67 
LCS_GDT     N    25_A     N    25_A      6   18   68      4    5   15   25   30   40   46   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     I    26_A     I    26_A      6   18   68      4   11   18   25   32   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     K    27_A     K    27_A      7   18   68      7   13   18   25   32   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     C    28_A     C    28_A      7   18   68      5   13   18   25   32   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     H    29_A     H    29_A      7   18   68      3    4   11   21   31   40   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     F    30_A     F    30_A      9   18   68      4   11   17   25   32   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     D    31_A     D    31_A      9   18   68      3    6   16   21   32   40   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     N    32_A     N    32_A      9   18   68      3   11   17   25   32   40   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     C    33_A     C    33_A      9   18   68      3   11   17   25   32   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     N    34_A     N    34_A      9   18   68      7   13   18   25   32   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     R    35_A     R    35_A      9   18   68      7   13   18   25   32   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     K    36_A     K    36_A      9   18   68      7   13   18   24   32   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     I    37_A     I    37_A      9   18   68      7   13   18   24   32   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     H    38_A     H    38_A      9   18   68      5   13   18   23   31   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     W    39_A     W    39_A      8   18   68      3   11   18   23   31   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     K    40_A     K    40_A      8   18   68      7   13   18   24   31   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     I    41_A     I    41_A      5   18   68      4    4   16   21   31   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     R    42_A     R    42_A      5   18   68      4    4    9   14   27   37   44   53   57   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     Y    43_A     Y    43_A      5   18   68      4    4    6    6   10   17   32   37   55   59   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     G    44_A     G    44_A      5   21   68      4    4    9   17   28   37   45   53   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     K    45_A     K    45_A     13   30   68      8   13   18   20   28   37   46   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     L    46_A     L    46_A     13   32   68      8   13   18   25   32   40   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     R    47_A     R    47_A     13   37   68      8   13   18   25   32   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     L    48_A     L    48_A     13   37   68      8   13   18   25   32   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     V    49_A     V    49_A     13   37   68      8   13   18   25   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     D    50_A     D    50_A     13   37   68      8   13   18   25   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     H    51_A     H    51_A     13   37   68      8   13   18   25   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     A    52_A     A    52_A     13   37   68      8   13   18   25   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     L    53_A     L    53_A     13   37   68      7   13   18   25   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     S    54_A     S    54_A     13   37   68      5   13   18   25   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     H    55_A     H    55_A     13   37   68      5   13   18   25   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     Q    56_A     Q    56_A     13   37   68      4   13   18   25   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     E    57_A     E    57_A     29   37   68      6    9   25   29   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     E    58_A     E    58_A     29   37   68      6   24   27   29   33   40   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     K    59_A     K    59_A     29   37   68      6   24   27   29   33   40   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     S    60_A     S    60_A     29   37   68      9   21   27   29   32   40   48   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     I    61_A     I    61_A     29   37   68      9   24   27   29   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     D    62_A     D    62_A     29   37   68     10   24   27   29   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     C    63_A     C    63_A     29   37   68     10   24   27   29   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     Q    64_A     Q    64_A     29   37   68     12   24   27   29   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     K    65_A     K    65_A     29   37   68     12   24   27   29   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     C    66_A     C    66_A     29   37   68     12   24   27   29   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     E    67_A     E    67_A     29   37   68     10   24   27   29   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     Y    68_A     Y    68_A     29   37   68     12   24   27   29   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     S    69_A     S    69_A     29   37   68      9   24   27   29   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     C    70_A     C    70_A     29   37   68      8   24   27   29   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     Q    71_A     Q    71_A     29   37   68     12   24   27   29   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     T    72_A     T    72_A     29   37   68     12   24   27   29   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     T    73_A     T    73_A     29   37   68     12   24   27   29   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     R    74_A     R    74_A     29   37   68     12   24   27   29   33   37   46   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     Q    75_A     Q    75_A     29   37   68     12   24   27   29   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     M    76_A     M    76_A     29   37   68     12   24   27   29   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     R    77_A     R    77_A     29   37   68     12   24   27   29   33   41   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     Y    78_A     Y    78_A     29   37   68     10   24   27   29   33   37   45   53   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     H    79_A     H    79_A     29   37   68     12   24   27   29   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     Y    80_A     Y    80_A     29   37   68     10   24   27   29   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     K    81_A     K    81_A     29   37   68     10   14   27   29   30   37   43   51   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     K    82_A     K    82_A     29   37   68      3   24   27   29   33   40   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     I    83_A     I    83_A     29   37   68      8   24   27   29   33   42   49   54   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     H    84_A     H    84_A     29   37   68      3   21   27   29   30   37   44   53   58   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     A    85_A     A    85_A     29   37   68      9   21   27   29   30   37   40   50   56   60   61   61   61   61   62   64   64   65   65   67 
LCS_GDT     N    86_A     N    86_A      6   33   67      3    5    9   15   25   27   28   31   37   42   48   55   57   60   61   62   62   64   65   67 
LCS_GDT     L    87_A     L    87_A      6    6   67      3    5    7    7    8   10   11   19   31   37   45   53   56   60   60   62   62   64   65   67 
LCS_GDT     K    88_A     K    88_A      6    6   67      3    5    7    7    8   10   11   12   12   23   28   33   39   42   47   53   58   60   60   62 
LCS_GDT     M    89_A     M    89_A      6    6   67      3    5    7    7    7    8    9   12   12   13   15   16   24   28   37   43   47   51   57   59 
LCS_GDT     E    90_A     E    90_A      6    7   19      3    5    7    7    8   10   11   12   12   13   15   16   18   19   22   26   34   40   44   46 
LCS_GDT     G    91_A     G    91_A      3    7   19      3    4    5    5    7   10   11   12   12   13   15   16   18   19   23   25   27   28   32   35 
LCS_GDT     F    92_A     F    92_A      3    7   26      3    3    4    6    8   10   11   12   12   13   15   16   18   19   23   25   27   28   32   35 
LCS_GDT     G    93_A     G    93_A      3    7   26      3    3    5    6    8   10   11   12   13   17   19   20   22   23   25   25   27   28   32   35 
LCS_GDT     I    94_A     I    94_A      3    7   26      3    4    5    5    8   10   11   14   17   18   19   20   23   24   25   26   27   28   32   35 
LCS_GDT     L    95_A     L    95_A      3    7   26      3    4    5    5    6    8    8   10   11   16   17   19   22   24   25   25   27   28   32   35 
LCS_GDT     N    96_A     N    96_A      3    7   26      3    4    5    5    6    8    9   11   13   16   19   20   23   24   25   26   27   28   32   35 
LCS_GDT     I    97_A     I    97_A      4    6   26      3    4    4    5    7   15   16   17   19   20   21   21   23   24   25   26   27   28   32   35 
LCS_GDT     P    98_A     P    98_A      4    6   26      3    4    6   13   15   16   16   17   20   20   21   21   23   24   25   26   26   28   32   35 
LCS_GDT     L    99_A     L    99_A      4   10   26      3    4    4    5    8   14   16   17   20   20   21   21   23   24   25   26   26   28   30   32 
LCS_GDT     Q   100_A     Q   100_A      4   11   26      3    4    4    5    6   11   14   17   19   19   19   20   23   24   25   25   26   28   30   32 
LCS_GDT     N   101_A     N   101_A     10   15   26      6    9    9   13   15   16   16   17   20   20   21   21   23   24   25   26   26   28   30   33 
LCS_GDT     T   102_A     T   102_A     10   15   26      8    9    9   13   15   16   16   17   20   20   21   21   23   24   25   26   26   30   31   33 
LCS_GDT     K   103_A     K   103_A     10   15   26      8    9    9   13   15   16   16   17   20   20   21   21   23   24   25   26   26   30   31   33 
LCS_GDT     F   104_A     F   104_A     10   15   26      8    9   10   13   15   16   16   17   20   20   21   21   23   24   25   26   27   28   32   35 
LCS_GDT     S   105_A     S   105_A     10   15   26      8    9   10   13   15   16   16   17   20   20   21   21   23   24   25   26   27   28   32   35 
LCS_GDT     D   106_A     D   106_A     10   15   26      8    9   10   13   15   16   16   17   20   20   21   21   23   24   25   26   27   28   32   35 
LCS_GDT     V   107_A     V   107_A     10   15   26      8    9   10   13   15   16   16   17   20   20   21   21   23   24   25   26   27   28   32   35 
LCS_GDT     W   108_A     W   108_A     10   15   26      8    9    9   12   15   16   16   17   20   20   21   21   23   24   25   26   27   28   32   35 
LCS_GDT     N   109_A     N   109_A     10   15   26      3    6   10   13   15   16   16   17   20   20   21   21   23   24   25   26   27   28   32   35 
LCS_GDT     K   110_A     K   110_A     10   15   26      8    9   10   13   15   16   16   17   20   20   21   21   23   24   25   26   27   28   32   35 
LCS_GDT     C   111_A     C   111_A      6   15   26      4    6   10   13   15   16   16   17   20   20   21   21   23   24   25   26   27   28   32   35 
LCS_GDT     F   112_A     F   112_A      6   15   26      4    6   10   13   15   16   16   17   20   20   21   21   23   24   25   26   27   28   32   35 
LCS_GDT     G   113_A     G   113_A      6   15   26      4    6   10   13   15   16   16   17   20   20   21   21   23   24   25   26   27   28   32   35 
LCS_GDT     D   114_A     D   114_A      3   15   26      3    3    4    8   13   16   16   17   20   20   21   21   23   24   24   26   26   28   30   33 
LCS_GDT     Q   115_A     Q   115_A      3   15   26      3    4   10   13   15   16   16   17   20   20   21   21   23   24   25   26   26   28   31   35 
LCS_GDT     L   116_A     L   116_A      3    6   26      3    3    4    5    6    7    8   10   13   15   19   20   23   24   25   26   26   28   32   35 
LCS_GDT     K   117_A     K   117_A      3    6   26      3    3    4    5    8   11   13   14   16   18   19   20   23   24   25   26   26   28   31   34 
LCS_GDT     T   118_A     T   118_A      3    6   26      3    3    4    5    6   10   11   11   15   16   17   20   22   22   25   25   26   28   30   32 
LCS_GDT     I   119_A     I   119_A      3    5   22      3    3    4    4    6    7    8    9   11   12   14   15   17   18   18   20   20   20   23   27 
LCS_GDT     G   120_A     G   120_A      3    3   20      0    3    3    3    3    5    7    8   11   12   15   16   17   18   18   20   20   20   21   24 
LCS_AVERAGE  LCS_A:  29.05  (  12.81   21.27   53.05 )

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     12     24     27     29     33     42     49     54     58     60     61     61     61     61     62     64     64     65     65     67 
GDT PERCENT_AT  11.54  23.08  25.96  27.88  31.73  40.38  47.12  51.92  55.77  57.69  58.65  58.65  58.65  58.65  59.62  61.54  61.54  62.50  62.50  64.42
GDT RMS_LOCAL    0.35   0.68   0.79   0.95   1.83   2.17   2.38   2.57   2.77   2.90   2.98   2.98   2.98   2.98   3.17   3.72   3.72   3.97   3.97   4.39
GDT RMS_ALL_AT  24.01  24.16  24.22  24.10  23.78  24.64  24.65  24.63  24.64  24.67  24.72  24.72  24.72  24.72  24.72  24.62  24.62  24.65  24.65  24.45

# Checking swapping
#   possible swapping detected:  Y    43_A      Y    43_A
#   possible swapping detected:  E    90_A      E    90_A
#   possible swapping detected:  D   106_A      D   106_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    17_A      K    17_A    14.682     4    0.658   0.613    16.737    0.000    0.000
LGA    E    18_A      E    18_A    11.534     4    0.574   0.600    13.036    0.000    0.000
LGA    E    19_A      E    19_A    12.635     4    0.696   0.630    13.906    0.000    0.000
LGA    M    20_A      M    20_A    16.504     0    0.645   0.675    19.396    0.000    0.000
LGA    N    21_A      N    21_A    19.487     0    0.615   1.247    23.310    0.000    0.000
LGA    K    22_A      K    22_A    17.247     0    0.107   0.872    18.143    0.000    0.000
LGA    V    23_A      V    23_A    13.322     0    0.050   0.083    15.075    0.000    0.000
LGA    H    24_A      H    24_A     8.930     0    0.144   1.245    11.772    5.714    3.333
LGA    N    25_A      N    25_A     3.944     0    0.247   1.226     5.748   41.190   47.440
LGA    I    26_A      I    26_A     1.969     0    0.104   1.302     3.636   73.214   64.405
LGA    K    27_A      K    27_A     1.124     0    0.152   0.888     2.499   81.429   78.730
LGA    C    28_A      C    28_A     1.004     0    0.124   0.153     2.638   73.214   78.968
LGA    H    29_A      H    29_A     3.249     0    0.256   1.298    10.071   61.071   31.476
LGA    F    30_A      F    30_A     1.676     0    0.019   1.017     4.290   64.881   59.957
LGA    D    31_A      D    31_A     3.177     0    0.582   0.706     4.742   49.048   45.417
LGA    N    32_A      N    32_A     3.018     0    0.378   0.755     5.122   51.905   48.036
LGA    C    33_A      C    33_A     1.785     0    0.463   0.493     4.578   60.476   68.968
LGA    N    34_A      N    34_A     0.713     0    0.384   1.088     3.996   88.214   79.048
LGA    R    35_A      R    35_A     1.199     0    0.056   1.134     4.684   81.429   70.866
LGA    K    36_A      K    36_A     1.304     0    0.128   0.647     2.844   79.286   77.090
LGA    I    37_A      I    37_A     1.234     0    0.121   0.981     3.345   81.429   74.345
LGA    H    38_A      H    38_A     2.180     0    0.037   1.263     8.772   68.810   42.095
LGA    W    39_A      W    39_A     2.004     0    0.230   1.009     9.459   54.524   33.231
LGA    K    40_A      K    40_A     2.969     0    0.643   1.304    12.069   57.500   32.646
LGA    I    41_A      I    41_A     2.956     0    0.609   1.305     9.569   55.476   33.036
LGA    R    42_A      R    42_A     5.822     0    0.027   1.202    11.125   19.762   11.602
LGA    Y    43_A      Y    43_A     7.114     0    0.164   0.901    15.561   13.571    5.595
LGA    G    44_A      G    44_A     4.782     0    0.152   0.152     4.796   42.738   42.738
LGA    K    45_A      K    45_A     3.924     0    0.513   0.986     7.003   46.905   31.005
LGA    L    46_A      L    46_A     3.132     0    0.064   1.060     4.982   53.810   47.262
LGA    R    47_A      R    47_A     2.334     0    0.073   1.061     7.684   64.881   41.169
LGA    L    48_A      L    48_A     3.068     0    0.053   1.497     7.061   55.357   42.917
LGA    V    49_A      V    49_A     2.689     0    0.060   1.166     4.391   60.952   55.442
LGA    D    50_A      D    50_A     2.078     0    0.046   0.718     4.308   68.810   57.976
LGA    H    51_A      H    51_A     2.089     0    0.043   0.260     2.457   68.810   68.000
LGA    A    52_A      A    52_A     1.863     0    0.044   0.052     1.998   72.857   72.857
LGA    L    53_A      L    53_A     2.062     0    0.044   1.218     6.691   64.762   51.429
LGA    S    54_A      S    54_A     2.058     0    0.116   0.112     2.377   68.810   67.460
LGA    H    55_A      H    55_A     1.557     0    0.266   0.415     2.113   72.976   72.143
LGA    Q    56_A      Q    56_A     1.043     0    0.649   0.842     2.788   81.548   74.127
LGA    E    57_A      E    57_A     3.198     4    0.209   0.207     3.630   55.357   29.418
LGA    E    58_A      E    58_A     3.457     4    0.030   0.044     3.956   50.000   27.037
LGA    K    59_A      K    59_A     3.162     0    0.054   0.535     3.257   50.000   56.720
LGA    S    60_A      S    60_A     3.674     0    0.154   0.216     4.665   50.119   43.889
LGA    I    61_A      I    61_A     2.451     0    0.048   1.258     6.289   66.905   54.762
LGA    D    62_A      D    62_A     1.011     0    0.058   0.059     2.054   85.952   79.464
LGA    C    63_A      C    63_A     0.524     0    0.057   0.071     1.263   88.333   87.540
LGA    Q    64_A      Q    64_A     2.264     0    0.181   1.287     3.934   59.524   60.899
LGA    K    65_A      K    65_A     2.739     0    0.104   0.516     4.961   55.595   48.254
LGA    C    66_A      C    66_A     2.643     0    0.023   0.101     2.829   64.881   63.571
LGA    E    67_A      E    67_A     2.544     4    0.116   0.120     3.004   62.976   33.545
LGA    Y    68_A      Y    68_A     1.084     0    0.018   0.125     1.628   86.190   89.087
LGA    S    69_A      S    69_A     1.369     0    0.029   0.573     4.238   79.405   71.270
LGA    C    70_A      C    70_A     2.613     0    0.100   0.663     2.836   59.048   58.413
LGA    Q    71_A      Q    71_A     2.691     0    0.042   0.970     4.547   57.262   59.947
LGA    T    72_A      T    72_A     2.942     0    0.052   1.093     5.598   59.048   50.136
LGA    T    73_A      T    73_A     2.479     0    0.066   0.085     3.408   59.048   57.211
LGA    R    74_A      R    74_A     3.831     0    0.049   0.514     4.800   45.000   36.883
LGA    Q    75_A      Q    75_A     3.122     0    0.042   0.243     3.607   53.571   51.640
LGA    M    76_A      M    76_A     1.981     0    0.037   0.849     2.904   64.881   69.048
LGA    R    77_A      R    77_A     3.370     0    0.087   0.847     5.841   46.905   37.792
LGA    Y    78_A      Y    78_A     4.293     0    0.027   1.333     4.777   40.238   42.619
LGA    H    79_A      H    79_A     2.740     0    0.045   0.279     3.252   53.571   62.714
LGA    Y    80_A      Y    80_A     3.230     0    0.081   0.850     4.867   43.929   44.921
LGA    K    81_A      K    81_A     5.297     0    0.075   0.908     6.846   27.738   23.492
LGA    K    82_A      K    82_A     4.081     0    0.087   1.003     5.507   38.690   38.995
LGA    I    83_A      I    83_A     3.111     0    0.072   0.559     4.103   45.119   53.036
LGA    H    84_A      H    84_A     5.244     0    0.135   0.214     6.993   24.524   32.381
LGA    A    85_A      A    85_A     6.025     0    0.114   0.113     8.908   13.333   15.905
LGA    N    86_A      N    86_A    10.061     3    0.160   0.155    12.377    1.190    0.774
LGA    L    87_A      L    87_A    11.836     0    0.079   0.921    13.267    0.000    0.060
LGA    K    88_A      K    88_A    17.168     0    0.087   0.915    22.569    0.000    0.000
LGA    M    89_A      M    89_A    18.446     0    0.593   1.183    22.262    0.000    0.000
LGA    E    90_A      E    90_A    25.194     0    0.090   1.141    28.648    0.000    0.000
LGA    G    91_A      G    91_A    31.238     0    0.468   0.468    33.401    0.000    0.000
LGA    F    92_A      F    92_A    32.932     0    0.506   0.855    35.014    0.000    0.000
LGA    G    93_A      G    93_A    39.445     0    0.579   0.579    41.277    0.000    0.000
LGA    I    94_A      I    94_A    42.793     0    0.618   1.002    47.997    0.000    0.000
LGA    L    95_A      L    95_A    42.986     0    0.502   0.960    45.280    0.000    0.000
LGA    N    96_A      N    96_A    37.300     0    0.646   1.384    39.151    0.000    0.000
LGA    I    97_A      I    97_A    32.715     0    0.130   0.712    34.505    0.000    0.000
LGA    P    98_A      P    98_A    33.971     0    0.532   0.567    34.168    0.000    0.000
LGA    L    99_A      L    99_A    32.359     0    0.161   0.976    33.799    0.000    0.000
LGA    Q   100_A      Q   100_A    35.338     0    0.319   0.778    38.358    0.000    0.000
LGA    N   101_A      N   101_A    38.741     0    0.589   1.471    39.465    0.000    0.000
LGA    T   102_A      T   102_A    38.960     0    0.061   1.201    39.008    0.000    0.000
LGA    K   103_A      K   103_A    35.694     0    0.039   1.012    36.707    0.000    0.000
LGA    F   104_A      F   104_A    37.373     0    0.086   0.184    40.339    0.000    0.000
LGA    S   105_A      S   105_A    41.886     0    0.033   0.667    44.270    0.000    0.000
LGA    D   106_A      D   106_A    40.720     0    0.038   1.085    41.159    0.000    0.000
LGA    V   107_A      V   107_A    38.786     0    0.049   1.012    40.561    0.000    0.000
LGA    W   108_A      W   108_A    42.436     0    0.616   1.520    47.763    0.000    0.000
LGA    N   109_A      N   109_A    47.140     0    0.331   0.468    51.792    0.000    0.000
LGA    K   110_A      K   110_A    42.785     0    0.228   1.109    44.222    0.000    0.000
LGA    C   111_A      C   111_A    40.154     0    0.049   0.753    43.073    0.000    0.000
LGA    F   112_A      F   112_A    45.912     0    0.640   1.149    47.717    0.000    0.000
LGA    G   113_A      G   113_A    51.164     0    0.559   0.559    54.143    0.000    0.000
LGA    D   114_A      D   114_A    55.203     3    0.277   0.280    57.341    0.000    0.000
LGA    Q   115_A      Q   115_A    56.160     0    0.673   1.142    57.682    0.000    0.000
LGA    L   116_A      L   116_A    58.912     0    0.690   1.285    61.482    0.000    0.000
LGA    K   117_A      K   117_A    62.698     0    0.513   1.025    70.163    0.000    0.000
LGA    T   118_A      T   118_A    59.339     0    0.624   0.914    60.404    0.000    0.000
LGA    I   119_A      I   119_A    55.040     0    0.562   0.880    56.914    0.000    0.000
LGA    G   120_A      G   120_A    56.010     0    0.081   0.081    56.760    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      104     416    416  100.00     843    843  100.00               104
SUMMARY(RMSD_GDC):    19.123         19.090                 19.306           34.362   30.695

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0     54    2.57    41.106    37.977     2.026

LGA_LOCAL      RMSD:   2.565  Number of atoms:   54  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  24.631  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:  19.123  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.189119 * X  +  -0.635404 * Y  +   0.748663 * Z  +   4.243938
  Y_new =  -0.528426 * X  +  -0.576758 * Y  +  -0.622990 * Z  + -14.998298
  Z_new =   0.827648 * X  +  -0.513432 * Y  +  -0.226688 * Z  + -28.982658 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.914484 -0.974903 -1.986571   [DEG: -109.6918  -55.8578 -113.8222 ]
ZXZ:  0.876765  1.799472  2.126045   [DEG:   50.2349  103.1021  121.8134 ]
 
# END of job
