
#######################################################
#                                                     #
#                        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  128 ( 1049),  selected  105 , name one
# Molecule2: number of CA atoms  105 (  864),  selected  105 , 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:    43      24_A - 66_A        4.98    14.65
  LCS_AVERAGE:     37.44

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      60_A - 90_A        1.79    27.48
  LCS_AVERAGE:     16.93

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      62_A - 86_A        0.99    27.11
  LCS_AVERAGE:     11.12

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  105
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     N    22_A     N    22_A      3    7   41      3    3    5    6   10   14   16   20   22   24   27   29   31   35   40   43   48   49   51   54 
LCS_GDT     K    23_A     K    23_A      5    7   42      4    4    6    9   12   14   16   20   22   24   27   29   31   37   41   44   48   52   56   59 
LCS_GDT     V    24_A     V    24_A      5   18   43      4    4    7   12   18   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     H    25_A     H    25_A      5   18   43      4    4    7   12   19   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     I    26_A     I    26_A     10   18   43      6   12   14   20   23   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     I    27_A     I    27_A     11   18   43      5   12   15   20   23   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     K    28_A     K    28_A     11   18   43      6   12   15   20   23   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     C    29_A     C    29_A     11   18   43      5   12   15   20   23   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     H    30_A     H    30_A     11   18   43      5   12   15   20   23   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     F    31_A     F    31_A     11   18   43      5   10   15   20   23   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     D    32_A     D    32_A     11   18   43      5    9   15   20   23   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     K    33_A     K    33_A     11   18   43      4    9   11   17   22   25   28   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     C    34_A     C    34_A     11   18   43      3    9   15   20   23   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     N    35_A     N    35_A     11   18   43      3    9   15   20   23   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     K    36_A     K    36_A     11   18   43      6   12   15   20   23   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     S    37_A     S    37_A     11   18   43      6   12   15   20   23   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     Y    38_A     Y    38_A      7   18   43      6   12   15   20   23   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     N    39_A     N    39_A      7   18   43      3   12   15   20   23   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     W    40_A     W    40_A      7   18   43      3    9   15   20   23   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     R    41_A     R    41_A      7   18   43      3    9   15   20   23   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     K    42_A     K    42_A      3   18   43      3    3    7   13   20   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     K    43_A     K    43_A      3   11   43      3    3    5    6   10   21   26   32   34   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     Y    44_A     Y    44_A      3   12   43      3    3    5   10   19   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     G    45_A     G    45_A      3   12   43      3    3    5    6    8   14   16   21   28   35   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     K    46_A     K    46_A     10   13   43      3    7   10   12   13   18   29   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     L    47_A     L    47_A     10   13   43      6    9   10   12   13   23   29   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     R    48_A     R    48_A     10   13   43      5    9   10   18   23   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     L    49_A     L    49_A     10   13   43      6    9   10   14   22   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     V    50_A     V    50_A     10   13   43      6    9   11   18   23   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     D    51_A     D    51_A     10   13   43      6    9   15   20   23   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     H    52_A     H    52_A     10   13   43      6   12   15   20   23   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     A    53_A     A    53_A     10   13   43      6   12   15   20   23   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     F    54_A     F    54_A     10   13   43      5   12   15   20   23   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     T    55_A     T    55_A     10   13   43      4    9   15   19   23   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     H    56_A     H    56_A     10   13   43      4    8   13   17   21   24   27   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     V    57_A     V    57_A      4   13   43      3    4    7   10   13   16   26   32   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     P    58_A     P    58_A      4   13   43      3    4    4    6   12   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     H    59_A     H    59_A      3   30   43      3    4    7   10   12   15   19   25   32   35   38   40   43   43   44   47   48   52   55   58 
LCS_GDT     L    60_A     L    60_A      4   31   43      3    4   20   27   29   30   31   31   32   33   34   38   40   42   44   45   48   51   53   57 
LCS_GDT     K    61_A     K    61_A      4   31   43      3    9   18   27   29   30   31   31   32   33   34   37   40   41   44   45   46   51   53   57 
LCS_GDT     M    62_A     M    62_A     25   31   43      6   17   25   27   29   30   31   31   32   33   34   36   38   41   44   45   48   50   53   57 
LCS_GDT     K    63_A     K    63_A     25   31   43      4   17   25   27   29   30   31   31   32   33   34   36   38   41   44   45   48   50   53   57 
LCS_GDT     C    64_A     C    64_A     25   31   43      4   13   25   27   29   30   31   31   32   33   34   36   36   40   43   45   48   50   53   57 
LCS_GDT     N    65_A     N    65_A     25   31   43      4   17   25   27   29   30   31   31   32   33   34   36   38   41   44   45   48   50   53   57 
LCS_GDT     F    66_A     F    66_A     25   31   43      9   17   25   27   29   30   31   31   32   33   34   36   38   41   44   45   45   47   52   57 
LCS_GDT     C    67_A     C    67_A     25   31   41      3   10   25   27   29   30   31   31   32   33   34   36   36   37   38   42   45   47   50   52 
LCS_GDT     D    68_A     D    68_A     25   31   41      3   13   25   27   29   30   31   31   32   33   34   36   36   37   38   40   41   43   46   48 
LCS_GDT     Y    69_A     Y    69_A     25   31   41      4   17   25   27   29   30   31   31   32   33   34   36   36   37   38   40   43   45   48   51 
LCS_GDT     M    70_A     M    70_A     25   31   41      5   17   25   27   29   30   31   31   32   33   34   36   36   37   38   40   43   45   50   53 
LCS_GDT     C    71_A     C    71_A     25   31   41      9   17   25   27   29   30   31   31   32   33   34   36   36   37   40   43   48   50   53   55 
LCS_GDT     K    72_A     K    72_A     25   31   41      9   17   25   27   29   30   31   31   32   33   34   36   36   37   40   43   48   50   53   57 
LCS_GDT     G    73_A     G    73_A     25   31   41      7   17   25   27   29   30   31   31   32   33   34   36   36   37   39   43   48   49   53   57 
LCS_GDT     I    74_A     I    74_A     25   31   41      4   17   25   27   29   30   31   31   32   33   34   36   36   37   38   40   44   48   51   57 
LCS_GDT     R    75_A     R    75_A     25   31   41      4   17   25   27   29   30   31   31   32   33   34   36   36   37   38   40   43   46   50   54 
LCS_GDT     N    76_A     N    76_A     25   31   41      7   17   25   27   29   30   31   31   32   33   34   36   36   37   40   43   48   50   53   54 
LCS_GDT     I    77_A     I    77_A     25   31   41      9   17   25   27   29   30   31   31   32   33   34   36   36   37   40   43   48   50   53   57 
LCS_GDT     R    78_A     R    78_A     25   31   41      9   17   25   27   29   30   31   31   32   33   34   36   36   37   38   40   45   50   53   54 
LCS_GDT     L    79_A     L    79_A     25   31   41      9   17   25   27   29   30   31   31   32   33   34   36   36   37   38   40   43   48   49   53 
LCS_GDT     H    80_A     H    80_A     25   31   41      9   17   25   27   29   30   31   31   32   33   34   36   36   37   38   40   45   50   53   55 
LCS_GDT     H    81_A     H    81_A     25   31   41      9   17   25   27   29   30   31   31   32   33   34   36   36   37   38   40   45   50   53   57 
LCS_GDT     K    82_A     K    82_A     25   31   41      9   17   25   27   29   30   31   31   32   33   34   36   36   37   38   40   43   46   48   53 
LCS_GDT     K    83_A     K    83_A     25   31   41      4   17   25   27   29   30   31   31   32   33   34   36   36   37   38   40   43   46   48   53 
LCS_GDT     S    84_A     S    84_A     25   31   41      4   15   25   27   29   30   31   31   32   33   34   36   36   37   38   40   45   48   51   53 
LCS_GDT     H    85_A     H    85_A     25   31   41      4   15   25   27   29   30   31   31   32   33   34   36   36   37   38   40   45   50   53   57 
LCS_GDT     P    86_A     P    86_A     25   31   41      3   13   25   27   29   30   31   31   32   33   34   36   36   37   38   40   45   48   53   57 
LCS_GDT     D    87_A     D    87_A     20   31   41      4    4   25   27   29   29   31   31   32   33   34   36   36   37   38   40   45   50   53   57 
LCS_GDT     E    88_A     E    88_A     20   31   41      4    6   22   27   29   30   31   31   32   33   34   36   36   37   38   40   45   50   53   57 
LCS_GDT     Q    89_A     Q    89_A      4   31   41      4    4   12   18   22   30   31   31   32   33   34   36   36   37   38   40   44   50   53   57 
LCS_GDT     L    90_A     L    90_A      4   31   41      4    7   13   18   22   30   31   31   32   33   34   36   36   37   38   40   45   50   53   54 
LCS_GDT     T    91_A     T    91_A      4    6   41      3    3    5    6    7   11   15   18   23   30   33   36   36   37   38   40   45   50   53   54 
LCS_GDT     G    92_A     G    92_A      3    6   41      3    3    3    6    8   13   18   23   27   30   34   36   36   38   40   42   47   50   53   54 
LCS_GDT     F    93_A     F    93_A      4    6   41      3    4    8   13   16   19   23   31   32   33   34   36   36   37   40   43   48   50   53   54 
LCS_GDT     G    94_A     G    94_A      4    6   41      3    4    7    8   11   14   18   21   27   29   33   36   36   37   39   43   48   50   53   54 
LCS_GDT     I    95_A     I    95_A      4    6   40      3    4    7    8    9   11   14   17   19   23   27   30   33   35   39   43   48   50   53   54 
LCS_GDT     K    96_A     K    96_A      4    6   40      3    4    7    8    9   11   14   16   19   22   25   29   33   35   38   43   48   50   53   54 
LCS_GDT     S    97_A     S    97_A      4    6   38      3    4   10   11   14   15   18   20   28   34   38   41   43   44   46   47   48   51   53   56 
LCS_GDT     V    98_A     V    98_A      4    6   33      3    4   10   11   14   19   27   30   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     V    99_A     V    99_A      4    6   33      3    4    4    5    9   11   15   17   19   21   25   27   33   44   46   50   53   54   56   59 
LCS_GDT     R   100_A     R   100_A      3    6   33      3    3    7    8    9   11   15   17   19   21   23   36   42   44   46   50   53   54   56   59 
LCS_GDT     T   101_A     T   101_A      3    6   33      3    3    4    5    7   10   13   17   23   33   39   42   42   44   46   50   53   54   56   59 
LCS_GDT     S   102_A     S   102_A      3    6   33      3    3    3    5    8   10   15   17   19   22   25   28   35   42   44   50   53   54   56   59 
LCS_GDT     K   103_A     K   103_A      3   14   33      3    3    4    7   11   14   15   18   23   26   30   34   40   43   46   50   53   54   56   59 
LCS_GDT     K   104_A     K   104_A     12   14   33      9   12   14   14   14   15   17   20   23   26   30   36   40   43   46   50   53   54   56   59 
LCS_GDT     G   105_A     G   105_A     12   14   33      9   12   14   14   14   15   20   25   29   34   37   40   41   43   46   50   53   54   56   59 
LCS_GDT     K   106_A     K   106_A     12   14   33      9   12   14   14   14   15   17   20   22   24   27   30   38   40   44   47   52   54   56   59 
LCS_GDT     D   107_A     D   107_A     12   14   33      9   12   14   14   14   15   17   20   22   24   27   30   34   40   44   47   52   54   55   58 
LCS_GDT     L   108_A     L   108_A     12   14   33      9   12   14   14   14   15   17   20   23   26   30   34   38   43   46   50   53   54   56   59 
LCS_GDT     A   109_A     A   109_A     12   14   33      9   12   14   14   14   15   17   20   23   26   30   36   40   43   46   50   53   54   56   59 
LCS_GDT     K   110_A     K   110_A     12   14   33      9   12   14   14   14   15   17   20   22   24   27   29   33   36   40   46   49   51   54   56 
LCS_GDT     V   111_A     V   111_A     12   14   33      9   12   14   14   14   15   17   20   22   24   27   29   33   36   40   43   48   51   53   56 
LCS_GDT     W   112_A     W   112_A     12   14   33      9   12   14   14   14   15   17   20   22   24   27   33   38   42   44   50   53   54   56   59 
LCS_GDT     D   113_A     D   113_A     12   14   33      7   12   14   14   14   15   17   20   22   24   27   29   33   36   41   46   49   52   55   59 
LCS_GDT     E   114_A     E   114_A     12   14   33      7   12   14   14   14   15   17   20   22   24   27   29   31   35   40   43   48   50   53   54 
LCS_GDT     C   115_A     C   115_A     12   14   33      8   12   14   14   14   15   17   18   20   24   27   29   31   35   40   43   48   50   53   54 
LCS_GDT     F   116_A     F   116_A      4   14   33      4    4    5   10   14   15   17   18   20   22   25   27   30   36   40   46   47   54   55   59 
LCS_GDT     K   117_A     K   117_A      4    5   33      4    4    4    4    5    7    9   12   19   21   21   24   30   36   41   46   52   54   56   59 
LCS_GDT     K   118_A     K   118_A      4    5   33      4    4    4    5    5    8   10   14   18   21   22   33   38   40   43   50   52   54   56   59 
LCS_GDT     N   119_A     N   119_A      4    5   33      4    4    5    8   12   13   17   18   20   22   26   33   38   42   46   50   53   54   56   59 
LCS_GDT     R   120_A     R   120_A      4    5   33      3    3    4    5   12   16   19   20   24   27   31   37   41   44   46   50   53   54   56   59 
LCS_GDT     V   121_A     V   121_A      4    5   33      3    3    5    5    5    6   17   20   22   23   30   36   41   44   46   50   53   54   56   59 
LCS_GDT     L   122_A     L   122_A      4    5   33      3    3   13   18   22   25   29   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     Q   123_A     Q   123_A      4    5   33      3    4    6   10   20   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     H   124_A     H   124_A      4    4   24      3    6   15   20   23   25   30   33   36   38   40   42   43   44   46   50   53   54   56   59 
LCS_GDT     G   125_A     G   125_A      4    4   24      3    4    4    4    4    6    6    7    7   34   37   42   43   44   46   48   52   54   55   58 
LCS_GDT     S   126_A     S   126_A      4    4   24      3    4    4    4    4    8   12   14   33   38   40   42   43   44   46   50   53   54   56   59 
LCS_AVERAGE  LCS_A:  21.83  (  11.12   16.93   37.44 )

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      9     17     25     27     29     30     31     33     36     38     40     42     43     44     46     50     53     54     56     59 
GDT PERCENT_AT   8.57  16.19  23.81  25.71  27.62  28.57  29.52  31.43  34.29  36.19  38.10  40.00  40.95  41.90  43.81  47.62  50.48  51.43  53.33  56.19
GDT RMS_LOCAL    0.31   0.60   0.97   1.05   1.26   1.76   1.79   2.49   2.70   2.86   3.07   3.31   3.52   3.63   4.02   5.07   5.18   5.23   5.59   6.02
GDT RMS_ALL_AT  16.00  26.67  27.00  27.09  27.19  27.55  27.48  16.52  16.87  16.84  16.96  17.10  16.80  17.40  17.59  18.19  18.37  18.42  18.61  18.57

# Checking swapping
#   possible swapping detected:  F    31_A      F    31_A
#   possible swapping detected:  D    32_A      D    32_A
#   possible swapping detected:  Y    38_A      Y    38_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  Y    69_A      Y    69_A
#   possible swapping detected:  D    87_A      D    87_A
#   possible swapping detected:  E    88_A      E    88_A
#   possible swapping detected:  D   107_A      D   107_A
#   possible swapping detected:  D   113_A      D   113_A
#   possible swapping detected:  E   114_A      E   114_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    22_A      N    22_A    15.589     0    0.336   0.879    17.663    0.000    0.000
LGA    K    23_A      K    23_A    10.997     0    0.149   1.062    17.345    0.833    0.370
LGA    V    24_A      V    24_A     4.054     0    0.102   0.175     6.351   32.262   46.395
LGA    H    25_A      H    25_A     3.225     0    0.026   1.360    10.539   59.643   28.000
LGA    I    26_A      I    26_A     2.975     0    0.645   0.719     9.483   61.071   35.952
LGA    I    27_A      I    27_A     2.017     0    0.173   0.967     4.479   68.810   63.095
LGA    K    28_A      K    28_A     1.155     0    0.094   0.164     2.573   83.810   76.032
LGA    C    29_A      C    29_A     0.925     0    0.106   0.818     3.875   88.214   79.603
LGA    H    30_A      H    30_A     0.857     0    0.252   1.429     6.194   81.786   57.762
LGA    F    31_A      F    31_A     1.221     0    0.271   1.195     7.800   73.214   50.130
LGA    D    32_A      D    32_A     1.933     0    0.372   1.051     5.554   72.976   55.476
LGA    K    33_A      K    33_A     3.508     0    0.247   0.774     4.754   43.452   42.910
LGA    C    34_A      C    34_A     2.308     0    0.106   0.770     3.030   63.095   62.381
LGA    N    35_A      N    35_A     2.065     0    0.408   0.973     5.970   79.524   55.893
LGA    K    36_A      K    36_A     1.529     0    0.096   0.923     2.652   75.000   71.217
LGA    S    37_A      S    37_A     1.674     0    0.082   0.591     4.245   72.857   66.905
LGA    Y    38_A      Y    38_A     1.307     0    0.108   0.435     2.199   77.143   78.056
LGA    N    39_A      N    39_A     2.020     0    0.054   0.488     4.036   66.786   62.381
LGA    W    40_A      W    40_A     1.843     0    0.157   1.192     4.483   75.000   61.701
LGA    R    41_A      R    41_A     1.892     0    0.218   1.114    12.440   59.881   29.177
LGA    K    42_A      K    42_A     3.652     0    0.323   0.868    15.470   55.833   27.725
LGA    K    43_A      K    43_A     5.539     0    0.717   1.243    13.872   30.357   15.185
LGA    Y    44_A      Y    44_A     3.835     0    0.258   1.298    14.007   35.833   17.619
LGA    G    45_A      G    45_A     6.130     0    0.542   0.542     6.130   25.238   25.238
LGA    K    46_A      K    46_A     4.404     0    0.187   0.588     5.675   38.810   32.434
LGA    L    47_A      L    47_A     4.028     0    0.141   1.440     8.840   46.905   32.738
LGA    R    48_A      R    48_A     2.475     0    0.048   1.169     7.942   64.881   42.857
LGA    L    49_A      L    49_A     2.897     0    0.072   1.106     5.485   60.952   48.452
LGA    V    50_A      V    50_A     2.302     0    0.045   0.088     3.101   69.048   62.925
LGA    D    51_A      D    51_A     1.419     0    0.055   0.962     2.447   83.810   79.464
LGA    H    52_A      H    52_A     0.755     0    0.052   0.133     3.296   85.952   72.000
LGA    A    53_A      A    53_A     1.597     0    0.104   0.096     1.969   77.143   76.286
LGA    F    54_A      F    54_A     0.651     0    0.114   1.099     5.507   88.214   64.848
LGA    T    55_A      T    55_A     2.734     0    0.122   1.155     5.672   55.833   48.299
LGA    H    56_A      H    56_A     4.808     0    0.285   1.412     5.977   31.905   28.048
LGA    V    57_A      V    57_A     5.060     0    0.168   0.230     8.330   37.500   24.694
LGA    P    58_A      P    58_A     2.941     0    0.639   0.944     5.473   45.238   39.524
LGA    H    59_A      H    59_A     8.008     0    0.237   0.327    10.626    6.905    5.048
LGA    L    60_A      L    60_A    10.495     0    0.666   0.901    13.255    0.357    0.238
LGA    K    61_A      K    61_A    11.204     0    0.666   1.112    11.973    0.000    1.587
LGA    M    62_A      M    62_A    15.194     0    0.298   1.064    17.581    0.000    0.000
LGA    K    63_A      K    63_A    15.939     0    0.120   1.116    16.460    0.000    0.159
LGA    C    64_A      C    64_A    19.413     0    0.182   0.273    24.059    0.000    0.000
LGA    N    65_A      N    65_A    16.949     0    0.484   0.385    18.079    0.000    0.000
LGA    F    66_A      F    66_A    19.775     0    0.333   1.446    22.230    0.000    0.000
LGA    C    67_A      C    67_A    22.520     0    0.292   0.642    25.320    0.000    0.000
LGA    D    68_A      D    68_A    21.423     0    0.060   0.568    22.146    0.000    0.000
LGA    Y    69_A      Y    69_A    23.583     0    0.044   1.385    27.980    0.000    0.000
LGA    M    70_A      M    70_A    20.258     0    0.119   0.686    22.920    0.000    0.000
LGA    C    71_A      C    71_A    21.487     0    0.157   0.257    22.942    0.000    0.000
LGA    K    72_A      K    72_A    18.770     0    0.640   0.830    20.881    0.000    0.000
LGA    G    73_A      G    73_A    20.758     0    0.083   0.083    21.836    0.000    0.000
LGA    I    74_A      I    74_A    22.251     0    0.049   0.089    24.944    0.000    0.000
LGA    R    75_A      R    75_A    28.090     0    0.067   1.058    36.007    0.000    0.000
LGA    N    76_A      N    76_A    27.333     0    0.028   0.137    29.672    0.000    0.000
LGA    I    77_A      I    77_A    23.886     0    0.073   0.677    26.055    0.000    0.000
LGA    R    78_A      R    78_A    29.007     0    0.057   1.276    33.450    0.000    0.000
LGA    L    79_A      L    79_A    33.542     0    0.052   0.087    37.642    0.000    0.000
LGA    H    80_A      H    80_A    30.374     0    0.030   1.226    31.395    0.000    0.000
LGA    H    81_A      H    81_A    29.564     0    0.040   1.062    32.620    0.000    0.000
LGA    K    82_A      K    82_A    36.046     0    0.055   0.957    42.020    0.000    0.000
LGA    K    83_A      K    83_A    38.841     0    0.046   0.163    42.253    0.000    0.000
LGA    S    84_A      S    84_A    35.205     0    0.124   0.705    35.724    0.000    0.000
LGA    H    85_A      H    85_A    31.971     0    0.070   1.144    33.063    0.000    0.000
LGA    P    86_A      P    86_A    36.829     0    0.109   0.403    38.802    0.000    0.000
LGA    D    87_A      D    87_A    35.399     0    0.633   1.336    35.893    0.000    0.000
LGA    E    88_A      E    88_A    29.733     0    0.553   1.152    31.861    0.000    0.000
LGA    Q    89_A      Q    89_A    29.201     0    0.280   1.392    29.788    0.000    0.000
LGA    L    90_A      L    90_A    23.939     0    0.102   0.557    26.127    0.000    0.000
LGA    T    91_A      T    91_A    22.240     0    0.606   0.772    23.908    0.000    0.000
LGA    G    92_A      G    92_A    17.465     0    0.152   0.152    18.936    0.000    0.000
LGA    F    93_A      F    93_A    17.852     0    0.551   1.137    19.653    0.000    0.000
LGA    G    94_A      G    94_A    18.934     0    0.616   0.616    18.934    0.000    0.000
LGA    I    95_A      I    95_A    14.717     0    0.415   1.207    16.589    0.000    0.000
LGA    K    96_A      K    96_A    15.269     0    0.276   0.723    25.405    0.000    0.000
LGA    S    97_A      S    97_A     9.586     0    0.266   0.629    10.911    5.952    4.206
LGA    V    98_A      V    98_A     5.008     0    0.531   0.532     6.492   20.476   22.381
LGA    V    99_A      V    99_A     8.920     0    0.594   0.937    12.807    4.405    2.721
LGA    R   100_A      R   100_A     9.961     0    0.494   1.042    19.960    2.143    0.779
LGA    T   101_A      T   101_A     6.459     0    0.662   1.388     7.645   12.738   19.184
LGA    S   102_A      S   102_A    11.845     0    0.452   0.708    15.076    0.000    0.000
LGA    K   103_A      K   103_A    14.022     0    0.391   0.334    20.990    0.000    0.000
LGA    K   104_A      K   104_A    12.695     4    0.604   0.625    13.513    0.000    0.000
LGA    G   105_A      G   105_A    10.202     0    0.074   0.074    12.090    0.000    0.000
LGA    K   106_A      K   106_A    16.514     0    0.043   0.981    22.588    0.000    0.000
LGA    D   107_A      D   107_A    17.440     0    0.051   1.134    19.131    0.000    0.000
LGA    L   108_A      L   108_A    11.469     0    0.062   1.124    13.219    0.000    2.976
LGA    A   109_A      A   109_A    12.246     0    0.057   0.054    14.386    0.000    0.000
LGA    K   110_A      K   110_A    18.484     0    0.029   0.726    29.092    0.000    0.000
LGA    V   111_A      V   111_A    17.582     0    0.122   0.956    19.736    0.000    0.000
LGA    W   112_A      W   112_A    11.990     0    0.056   1.405    13.606    0.000    6.327
LGA    D   113_A      D   113_A    15.762     0    0.081   1.164    17.858    0.000    0.000
LGA    E   114_A      E   114_A    21.087     0    0.100   1.036    26.856    0.000    0.000
LGA    C   115_A      C   115_A    17.888     0    0.572   0.838    19.328    0.000    0.000
LGA    F   116_A      F   116_A    14.380     0    0.615   1.302    15.148    0.000    0.000
LGA    K   117_A      K   117_A    14.012     0    0.097   0.881    19.366    0.000    0.000
LGA    K   118_A      K   118_A    14.109     0    0.740   0.993    18.013    0.000    0.000
LGA    N   119_A      N   119_A    11.535     0    0.098   0.483    14.672    0.357    0.179
LGA    R   120_A      R   120_A    10.925     6    0.641   0.622    13.413    0.119    0.043
LGA    V   121_A      V   121_A    10.715     0    0.362   1.317    13.499    5.119    2.925
LGA    L   122_A      L   122_A     4.070     0    0.199   0.248     6.623   51.429   42.024
LGA    Q   123_A      Q   123_A     3.430     0    0.583   1.258    10.944   65.833   32.328
LGA    H   124_A      H   124_A     0.679     0    0.615   0.563     3.372   71.310   68.667
LGA    G   125_A      G   125_A     7.322     0    0.328   0.328     7.872   13.333   13.333
LGA    S   126_A      S   126_A     6.037     0    0.606   0.994     6.270   19.286   21.587

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      105     420    420  100.00     864    864  100.00               105
SUMMARY(RMSD_GDC):    12.786         12.749                 13.539           23.320   19.128

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0     33    2.49    30.238    27.652     1.273

LGA_LOCAL      RMSD:   2.493  Number of atoms:   33  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.523  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:  12.786  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.016549 * X  +   0.775008 * Y  +   0.631734 * Z  +   9.337816
  Y_new =  -0.234803 * X  +   0.617164 * Y  +  -0.750983 * Z  +   5.054974
  Z_new =  -0.971902 * X  +  -0.135905 * Y  +   0.192188 * Z  +  43.750851 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.500433  1.333181 -0.615508   [DEG:  -85.9685   76.3857  -35.2660 ]
ZXZ:  0.699369  1.377406 -1.709730   [DEG:   40.0709   78.9195  -97.9603 ]
 
# END of job
