
#######################################################
#                                                     #
#                        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:    41      22_A - 62_A        4.73    33.26
  LCS_AVERAGE:     31.69

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      58_A - 86_A        1.89    38.38
  LONGEST_CONTINUOUS_SEGMENT:    29      59_A - 87_A        1.98    38.49
  LCS_AVERAGE:     16.51

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20      62_A - 81_A        0.98    38.59
  LONGEST_CONTINUOUS_SEGMENT:    20      63_A - 82_A        0.97    38.58
  LCS_AVERAGE:     10.96

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      5   18   41      3    4    6    7   10   18   20   27   30   31   32   34   35   35   36   37   38   40   40   42 
LCS_GDT     K    23_A     K    23_A      7   18   41      3    5    9   16   25   27   29   30   32   33   34   34   35   36   37   38   39   40   41   42 
LCS_GDT     V    24_A     V    24_A     16   18   41      3    7   20   24   26   28   30   32   32   33   35   35   36   36   37   38   39   40   41   42 
LCS_GDT     H    25_A     H    25_A     16   18   41      9   20   23   26   28   31   31   32   32   34   35   35   36   36   37   38   39   40   41   42 
LCS_GDT     I    26_A     I    26_A     16   18   41      6   20   23   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   43 
LCS_GDT     I    27_A     I    27_A     16   18   41     10   20   23   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   43 
LCS_GDT     K    28_A     K    28_A     16   18   41     10   20   23   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   43 
LCS_GDT     C    29_A     C    29_A     16   18   41     10   20   23   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   43 
LCS_GDT     H    30_A     H    30_A     16   18   41      3   13   22   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   42 
LCS_GDT     F    31_A     F    31_A     16   18   41     10   20   23   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   42 
LCS_GDT     D    32_A     D    32_A     16   18   41      5   16   23   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   42 
LCS_GDT     K    33_A     K    33_A     16   18   41      6   20   23   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   42 
LCS_GDT     C    34_A     C    34_A     16   18   41     10   20   23   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   42 
LCS_GDT     N    35_A     N    35_A     16   18   41     10   20   23   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   42 
LCS_GDT     K    36_A     K    36_A     16   18   41      5   20   23   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   43 
LCS_GDT     S    37_A     S    37_A     16   18   41      4   20   23   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   43 
LCS_GDT     Y    38_A     Y    38_A     16   18   41      6   20   23   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   43 
LCS_GDT     N    39_A     N    39_A     16   18   41      4   20   23   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   43 
LCS_GDT     W    40_A     W    40_A      5   18   41      4   11   16   23   27   31   31   32   32   34   35   35   36   36   37   38   39   40   41   42 
LCS_GDT     R    41_A     R    41_A      5   16   41      4    4    6    7   11   16   17   29   32   34   35   35   36   36   37   38   39   40   41   42 
LCS_GDT     K    42_A     K    42_A      5   10   41      4    4    6    7    9   10   12   16   18   20   24   32   34   35   36   37   38   40   41   41 
LCS_GDT     K    43_A     K    43_A      5    6   41      3    4    6    6   14   22   25   29   32   34   35   35   36   36   37   38   39   40   41   42 
LCS_GDT     Y    44_A     Y    44_A      5   16   41      3    7   15   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   42 
LCS_GDT     G    45_A     G    45_A      4   16   41      3    4    4    4    7   16   17   29   32   34   35   35   36   36   37   38   39   40   41   42 
LCS_GDT     K    46_A     K    46_A     14   16   41      4   12   15   21   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   42 
LCS_GDT     L    47_A     L    47_A     14   16   41      5   12   15   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   42 
LCS_GDT     R    48_A     R    48_A     14   16   41     10   20   23   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   42 
LCS_GDT     L    49_A     L    49_A     14   16   41      6   12   22   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   43 
LCS_GDT     V    50_A     V    50_A     14   16   41      6   12   23   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   42 
LCS_GDT     D    51_A     D    51_A     14   16   41     10   20   23   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   42 
LCS_GDT     H    52_A     H    52_A     14   16   41      6   20   23   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   43 
LCS_GDT     A    53_A     A    53_A     14   16   41      6   20   23   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   43 
LCS_GDT     F    54_A     F    54_A     14   16   41     10   20   23   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   43 
LCS_GDT     T    55_A     T    55_A     14   16   41      8   20   23   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   43 
LCS_GDT     H    56_A     H    56_A     14   16   41     10   20   23   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   43 
LCS_GDT     V    57_A     V    57_A     14   16   41      6   17   23   26   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   43 
LCS_GDT     P    58_A     P    58_A     14   29   41      3    4   15   22   29   31   31   32   32   33   35   35   36   36   37   38   39   40   41   43 
LCS_GDT     H    59_A     H    59_A     14   29   41      3   11   16   23   29   31   31   32   32   34   35   35   36   36   37   38   39   40   41   43 
LCS_GDT     L    60_A     L    60_A      4   29   41      3    4    4    6   20   28   29   29   31   34   35   35   36   36   37   38   39   40   41   43 
LCS_GDT     K    61_A     K    61_A     18   29   41      4   12   16   20   24   25   29   29   30   30   31   35   36   36   37   38   39   40   41   43 
LCS_GDT     M    62_A     M    62_A     20   29   41      5   12   21   23   25   28   29   29   30   30   32   33   35   35   36   38   39   40   41   43 
LCS_GDT     K    63_A     K    63_A     20   29   39      6   14   21   23   25   28   29   29   30   30   32   33   35   35   36   38   39   40   41   43 
LCS_GDT     C    64_A     C    64_A     20   29   36      7   14   21   23   25   28   29   29   30   30   32   33   35   35   36   38   39   40   41   43 
LCS_GDT     N    65_A     N    65_A     20   29   36      6   13   21   23   25   28   29   29   30   30   32   33   35   35   36   38   39   40   41   43 
LCS_GDT     F    66_A     F    66_A     20   29   36      6   13   21   23   25   28   29   29   30   30   32   33   35   35   36   38   39   40   41   43 
LCS_GDT     C    67_A     C    67_A     20   29   36      5   13   21   23   25   28   29   29   30   30   32   33   35   35   36   38   39   40   41   43 
LCS_GDT     D    68_A     D    68_A     20   29   36      6   13   21   23   25   28   29   29   30   30   32   33   35   35   36   38   39   40   41   43 
LCS_GDT     Y    69_A     Y    69_A     20   29   36      6   14   21   23   25   28   29   29   30   30   32   33   35   35   36   38   39   40   41   43 
LCS_GDT     M    70_A     M    70_A     20   29   36      6   14   21   23   25   28   29   29   30   30   32   33   35   35   36   38   39   40   41   43 
LCS_GDT     C    71_A     C    71_A     20   29   36      6   12   21   23   25   28   29   29   30   30   32   33   35   35   36   38   39   40   41   43 
LCS_GDT     K    72_A     K    72_A     20   29   36      6   13   21   23   25   28   29   29   30   30   32   33   35   36   37   38   39   40   41   43 
LCS_GDT     G    73_A     G    73_A     20   29   36      6   14   21   23   25   28   29   29   30   30   32   33   35   35   36   38   39   40   41   43 
LCS_GDT     I    74_A     I    74_A     20   29   36      6   14   21   23   25   28   29   29   30   30   32   33   35   35   36   38   39   40   41   43 
LCS_GDT     R    75_A     R    75_A     20   29   36      7   14   21   23   25   28   29   29   30   30   32   33   35   35   36   38   39   40   40   41 
LCS_GDT     N    76_A     N    76_A     20   29   36      7   14   21   23   25   28   29   29   30   30   32   33   35   35   36   38   39   40   41   43 
LCS_GDT     I    77_A     I    77_A     20   29   36      7   14   21   23   25   28   29   29   30   30   32   33   35   35   36   38   39   40   41   43 
LCS_GDT     R    78_A     R    78_A     20   29   36      7   14   21   23   25   28   29   29   30   30   32   33   35   35   36   38   39   40   41   43 
LCS_GDT     L    79_A     L    79_A     20   29   36      7   14   21   23   25   28   29   29   30   30   32   33   35   35   36   38   39   40   41   43 
LCS_GDT     H    80_A     H    80_A     20   29   36      7   14   21   23   25   28   29   29   30   30   32   33   35   35   36   38   39   40   41   43 
LCS_GDT     H    81_A     H    81_A     20   29   36      7   14   21   23   25   28   29   29   30   30   32   33   35   35   36   38   39   40   41   43 
LCS_GDT     K    82_A     K    82_A     20   29   36      7   14   21   23   25   28   29   29   30   30   32   33   35   35   36   38   39   40   41   43 
LCS_GDT     K    83_A     K    83_A     15   29   36      4   12   16   22   25   28   29   29   30   30   32   33   35   35   36   38   39   40   41   43 
LCS_GDT     S    84_A     S    84_A     15   29   36      4    6   14   19   22   28   29   29   30   30   32   33   35   35   36   38   39   40   41   43 
LCS_GDT     H    85_A     H    85_A      5   29   36      4    5    9   18   25   28   29   29   30   30   32   33   35   35   36   38   39   40   41   43 
LCS_GDT     P    86_A     P    86_A      4   29   36      1    7   12   23   25   28   29   29   30   30   32   33   35   35   36   38   39   40   41   43 
LCS_GDT     D    87_A     D    87_A      4   29   36      1    3    5   21   24   25   27   29   30   30   32   33   35   35   36   38   39   40   41   43 
LCS_GDT     E    88_A     E    88_A      5    8   36      3    4    5    6    7   15   19   25   26   28   28   29   32   34   34   36   38   40   41   41 
LCS_GDT     Q    89_A     Q    89_A      5    8   36      3    4    5    6    7    8   10   10   12   16   19   22   25   28   28   30   33   36   38   40 
LCS_GDT     L    90_A     L    90_A      5    8   34      4    4    5    6    7    8   10   10   12   14   16   18   22   24   25   28   30   31   34   37 
LCS_GDT     T    91_A     T    91_A      5    8   15      4    4    5    6    7    8   10   10   12   14   14   15   17   19   21   26   28   31   33   36 
LCS_GDT     G    92_A     G    92_A      5    8   15      4    4    5    6    7    8   10   10   12   14   14   15   17   19   21   26   28   31   33   36 
LCS_GDT     F    93_A     F    93_A      4    8   24      4    4    5    5    7    8   10   10   12   14   14   17   21   23   24   26   28   31   33   36 
LCS_GDT     G    94_A     G    94_A      4    7   24      3    4    4    5    6    8   10   10   12   14   15   20   21   23   24   26   28   31   33   36 
LCS_GDT     I    95_A     I    95_A      3    5   24      3    3    4    8   11   14   14   17   18   19   20   20   21   23   24   26   28   31   33   36 
LCS_GDT     K    96_A     K    96_A      3    5   24      3    9   12   13   13   14   15   17   18   19   20   20   21   23   24   26   28   31   33   36 
LCS_GDT     S    97_A     S    97_A      3    5   24      3    6    9   13   13   14   15   17   18   19   20   20   21   23   24   25   28   30   33   35 
LCS_GDT     V    98_A     V    98_A      3    5   24      3    3    3    3   10   14   15   17   18   19   20   20   21   23   24   25   28   31   33   36 
LCS_GDT     V    99_A     V    99_A      4    5   24      3    4    4    4    7    8   11   13   16   18   19   20   21   23   24   25   26   29   30   34 
LCS_GDT     R   100_A     R   100_A      4    5   24      3    4    4    4    5    6   10   12   14   16   19   20   21   22   22   23   26   27   28   30 
LCS_GDT     T   101_A     T   101_A      4   14   24      3    4    5    7   11   12   15   17   18   19   19   20   21   23   24   25   28   31   33   36 
LCS_GDT     S   102_A     S   102_A      4   14   24      4    4    5    6   12   13   15   17   18   19   20   20   21   23   24   26   28   31   33   36 
LCS_GDT     K   103_A     K   103_A      4   14   24      4    4    5    6   12   14   15   17   18   19   20   20   21   23   24   26   28   31   33   36 
LCS_GDT     K   104_A     K   104_A     11   14   24      6   10   12   13   13   14   15   17   18   19   20   20   21   23   24   26   28   31   33   36 
LCS_GDT     G   105_A     G   105_A     11   14   24      6   10   12   13   13   14   15   17   18   19   20   20   21   23   24   26   28   31   33   36 
LCS_GDT     K   106_A     K   106_A     11   14   24      6   10   12   13   13   14   15   17   18   19   20   20   21   23   24   25   28   31   33   36 
LCS_GDT     D   107_A     D   107_A     11   14   24      6   10   12   13   13   14   15   17   18   19   20   20   21   23   24   26   28   31   33   36 
LCS_GDT     L   108_A     L   108_A     11   14   24      6   10   12   13   13   14   15   17   18   19   20   20   21   23   24   26   28   31   33   36 
LCS_GDT     A   109_A     A   109_A     11   14   24      6   10   12   13   13   14   15   17   18   19   20   20   21   23   24   26   28   31   33   36 
LCS_GDT     K   110_A     K   110_A     11   14   24      4   10   12   13   13   14   15   17   18   19   20   20   21   23   24   26   28   31   33   36 
LCS_GDT     V   111_A     V   111_A     11   14   24      4   10   12   13   13   14   15   17   18   19   20   20   21   23   24   26   28   31   33   36 
LCS_GDT     W   112_A     W   112_A     11   14   24      3   10   12   13   13   14   15   17   18   19   20   20   21   23   24   26   28   31   33   36 
LCS_GDT     D   113_A     D   113_A     11   14   24      4   10   12   13   13   14   15   17   18   19   20   20   21   23   24   25   28   31   33   36 
LCS_GDT     E   114_A     E   114_A     11   14   24      3    9   12   13   13   14   15   17   18   19   20   20   21   23   24   25   28   31   33   35 
LCS_GDT     C   115_A     C   115_A      3    7   24      3    3    4    6    7    8   10   14   17   18   19   20   21   23   24   25   26   31   32   35 
LCS_GDT     F   116_A     F   116_A      3    7   24      3    3    4    6    7    7    9   11   13   15   16   20   21   23   24   25   28   31   33   36 
LCS_GDT     K   117_A     K   117_A      4    7   24      3    4    5    6    7    7    9   11   13   15   16   18   21   23   24   25   28   31   33   36 
LCS_GDT     K   118_A     K   118_A      4    7   21      3    4    5    6    7    7    9   11   12   14   16   18   18   22   23   25   26   29   32   36 
LCS_GDT     N   119_A     N   119_A      4    7   21      3    4    5    6    7    7    9   11   12   14   16   18   19   20   22   23   25   28   29   32 
LCS_GDT     R   120_A     R   120_A      4    7   21      3    4    5    6    7    7    9   11   13   15   16   18   19   20   21   22   25   28   29   32 
LCS_GDT     V   121_A     V   121_A      3    7   21      3    3    5    5    7    7    8   11   12   15   16   18   19   20   21   22   25   28   29   31 
LCS_GDT     L   122_A     L   122_A      3    6   18      3    3    3    3    5    7    9   11   11   13   14   15   16   19   20   21   23   25   26   29 
LCS_GDT     Q   123_A     Q   123_A      4    4   18      3    3    4    4    4    7    9   11   11   13   14   15   16   19   20   21   23   25   26   29 
LCS_GDT     H   124_A     H   124_A      4    4   18      3    3    4    4    5    7    9   11   11   13   14   15   16   19   20   21   23   25   26   29 
LCS_GDT     G   125_A     G   125_A      4    4   18      3    3    4    4    4    5    7   10   12   14   15   15   16   19   20   21   25   28   28   32 
LCS_GDT     S   126_A     S   126_A      4    4   18      3    3    4    4    4    5    7    9   12   14   15   15   17   20   22   23   26   30   32   36 
LCS_AVERAGE  LCS_A:  19.72  (  10.96   16.51   31.69 )

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     10     20     23     26     29     31     31     32     32     34     35     35     36     36     37     38     39     40     41     43 
GDT PERCENT_AT   9.52  19.05  21.90  24.76  27.62  29.52  29.52  30.48  30.48  32.38  33.33  33.33  34.29  34.29  35.24  36.19  37.14  38.10  39.05  40.95
GDT RMS_LOCAL    0.38   0.65   0.80   1.01   1.38   1.52   1.52   1.71   1.71   2.69   2.61   2.61   2.86   2.81   3.07   3.46   3.90   5.30   5.58   6.86
GDT RMS_ALL_AT  34.82  34.63  34.58  34.64  34.89  34.89  34.89  34.76  34.76  34.51  34.55  34.55  34.60  34.44  34.49  33.98  33.59  31.40  31.58  32.88

# Checking swapping
#   possible swapping detected:  Y    38_A      Y    38_A
#   possible swapping detected:  Y    44_A      Y    44_A
#   possible swapping detected:  D    68_A      D    68_A
#   possible swapping detected:  Y    69_A      Y    69_A
#   possible swapping detected:  D    87_A      D    87_A
#   possible swapping detected:  F    93_A      F    93_A
#   possible swapping detected:  D   113_A      D   113_A
#   possible swapping detected:  F   116_A      F   116_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    22_A      N    22_A     8.673     0    0.531   1.241    11.304    4.405    2.857
LGA    K    23_A      K    23_A     6.219     0    0.066   0.755     6.910   22.024   33.175
LGA    V    24_A      V    24_A     4.418     0    0.078   0.160     5.970   42.619   37.211
LGA    H    25_A      H    25_A     1.677     0    0.130   1.152     3.622   68.929   63.619
LGA    I    26_A      I    26_A     1.252     0    0.070   1.524     3.539   85.952   71.071
LGA    I    27_A      I    27_A     0.834     0    0.051   1.195     4.197   90.476   76.786
LGA    K    28_A      K    28_A     0.385     0    0.071   0.710     3.578  100.000   84.656
LGA    C    29_A      C    29_A     0.551     0    0.035   0.097     0.811   92.857   92.063
LGA    H    30_A      H    30_A     1.630     0    0.242   0.932     9.566   83.810   44.619
LGA    F    31_A      F    31_A     0.681     0    0.075   0.164     2.659   90.476   78.745
LGA    D    32_A      D    32_A     1.193     0    0.093   1.056     3.291   85.952   79.821
LGA    K    33_A      K    33_A     0.956     0    0.054   0.886     5.672   88.214   68.466
LGA    C    34_A      C    34_A     0.434     0    0.056   0.122     0.770   95.238   96.825
LGA    N    35_A      N    35_A     0.373     0    0.335   1.044     4.095   95.357   77.024
LGA    K    36_A      K    36_A     0.826     0    0.034   1.107     3.352   88.214   71.905
LGA    S    37_A      S    37_A     0.885     0    0.048   0.052     1.526   95.238   89.206
LGA    Y    38_A      Y    38_A     0.981     0    0.118   0.195     2.257   79.524   78.651
LGA    N    39_A      N    39_A     1.130     0    0.583   1.404     5.158   86.190   68.869
LGA    W    40_A      W    40_A     3.655     0    0.143   1.053     7.935   31.190   17.925
LGA    R    41_A      R    41_A     9.121     0    0.189   1.437    14.894    4.524    1.688
LGA    K    42_A      K    42_A    12.883     0    0.074   0.965    20.935    0.000    0.000
LGA    K    43_A      K    43_A     8.519     0    0.663   1.313    10.086    7.500    3.810
LGA    Y    44_A      Y    44_A     2.451     0    0.070   0.871     7.984   40.119   38.889
LGA    G    45_A      G    45_A     6.289     0    0.652   0.652     6.289   30.714   30.714
LGA    K    46_A      K    46_A     3.006     0    0.351   0.758     8.052   51.905   36.561
LGA    L    47_A      L    47_A     2.400     0    0.094   0.878     4.388   68.810   59.583
LGA    R    48_A      R    48_A     0.536     0    0.043   1.784     5.741   92.976   75.887
LGA    L    49_A      L    49_A     1.629     0    0.040   0.922     3.430   79.286   67.381
LGA    V    50_A      V    50_A     1.467     0    0.039   0.112     2.330   85.952   79.184
LGA    D    51_A      D    51_A     0.537     0    0.036   0.450     2.851   92.857   84.167
LGA    H    52_A      H    52_A     0.923     0    0.027   0.058     2.277   85.952   77.333
LGA    A    53_A      A    53_A     1.167     0    0.037   0.051     1.178   81.429   81.429
LGA    F    54_A      F    54_A     0.727     0    0.106   0.744     3.022   95.238   80.606
LGA    T    55_A      T    55_A     0.735     0    0.144   0.137     1.020   88.214   89.184
LGA    H    56_A      H    56_A     0.595     0    0.214   0.181     1.118   88.214   89.571
LGA    V    57_A      V    57_A     0.663     0    0.103   0.209     2.273   81.786   78.027
LGA    P    58_A      P    58_A     2.360     0    0.173   0.176     4.184   72.976   62.313
LGA    H    59_A      H    59_A     3.166     0    0.660   0.535     9.744   48.810   30.095
LGA    L    60_A      L    60_A     7.751     0    0.105   0.925    11.039    8.452    4.583
LGA    K    61_A      K    61_A    11.959     0    0.604   1.082    14.736    0.000    0.476
LGA    M    62_A      M    62_A    18.913     0    0.022   0.636    22.346    0.000    0.000
LGA    K    63_A      K    63_A    22.006     0    0.108   1.190    25.580    0.000    0.000
LGA    C    64_A      C    64_A    29.484     0    0.048   0.761    32.719    0.000    0.000
LGA    N    65_A      N    65_A    32.341     0    0.255   0.793    34.899    0.000    0.000
LGA    F    66_A      F    66_A    38.606     0    0.253   1.279    43.801    0.000    0.000
LGA    C    67_A      C    67_A    36.873     0    0.023   0.845    39.007    0.000    0.000
LGA    D    68_A      D    68_A    31.599     0    0.300   0.923    35.050    0.000    0.000
LGA    Y    69_A      Y    69_A    28.753     0    0.056   1.373    32.862    0.000    0.000
LGA    M    70_A      M    70_A    21.751     0    0.052   0.654    24.115    0.000    0.000
LGA    C    71_A      C    71_A    19.228     0    0.159   0.762    24.014    0.000    0.000
LGA    K    72_A      K    72_A    14.395     0    0.616   1.016    17.098    0.000    0.000
LGA    G    73_A      G    73_A    19.838     0    0.060   0.060    23.184    0.000    0.000
LGA    I    74_A      I    74_A    26.456     0    0.044   0.115    30.611    0.000    0.000
LGA    R    75_A      R    75_A    30.196     0    0.049   1.118    33.380    0.000    0.000
LGA    N    76_A      N    76_A    27.781     0    0.064   0.242    30.888    0.000    0.000
LGA    I    77_A      I    77_A    29.185     0    0.051   0.575    33.625    0.000    0.000
LGA    R    78_A      R    78_A    35.655     0    0.052   1.123    39.386    0.000    0.000
LGA    L    79_A      L    79_A    38.202     0    0.045   0.187    40.763    0.000    0.000
LGA    H    80_A      H    80_A    37.079     0    0.043   0.261    40.874    0.000    0.000
LGA    H    81_A      H    81_A    40.220     0    0.066   1.046    44.801    0.000    0.000
LGA    K    82_A      K    82_A    46.150     0    0.045   0.673    49.944    0.000    0.000
LGA    K    83_A      K    83_A    47.582     0    0.052   0.738    50.392    0.000    0.000
LGA    S    84_A      S    84_A    46.786     0    0.097   0.662    49.528    0.000    0.000
LGA    H    85_A      H    85_A    49.421     0    0.285   1.143    51.354    0.000    0.000
LGA    P    86_A      P    86_A    55.470     0    0.031   0.323    57.910    0.000    0.000
LGA    D    87_A      D    87_A    58.437     0    0.665   1.206    59.145    0.000    0.000
LGA    E    88_A      E    88_A    55.688     0    0.238   0.774    57.264    0.000    0.000
LGA    Q    89_A      Q    89_A    58.484     0    0.099   1.123    59.202    0.000    0.000
LGA    L    90_A      L    90_A    56.720     0    0.045   1.288    58.711    0.000    0.000
LGA    T    91_A      T    91_A    56.453     0    0.111   1.257    59.404    0.000    0.000
LGA    G    92_A      G    92_A    54.998     0    0.076   0.076    56.284    0.000    0.000
LGA    F    93_A      F    93_A    55.939     0    0.101   1.264    57.053    0.000    0.000
LGA    G    94_A      G    94_A    57.596     0    0.416   0.416    57.596    0.000    0.000
LGA    I    95_A      I    95_A    52.032     0    0.067   0.079    54.239    0.000    0.000
LGA    K    96_A      K    96_A    50.628     0    0.138   1.084    55.489    0.000    0.000
LGA    S    97_A      S    97_A    45.729     0    0.705   0.722    47.648    0.000    0.000
LGA    V    98_A      V    98_A    40.301     0    0.600   0.622    42.146    0.000    0.000
LGA    V    99_A      V    99_A    34.942     0    0.607   0.608    37.319    0.000    0.000
LGA    R   100_A      R   100_A    33.747     0    0.165   1.519    39.851    0.000    0.000
LGA    T   101_A      T   101_A    35.313     0    0.705   0.645    36.551    0.000    0.000
LGA    S   102_A      S   102_A    36.404     0    0.600   0.775    36.469    0.000    0.000
LGA    K   103_A      K   103_A    34.235     0    0.062   0.678    37.775    0.000    0.000
LGA    K   104_A      K   104_A    30.682     4    0.386   0.373    32.648    0.000    0.000
LGA    G   105_A      G   105_A    34.951     0    0.072   0.072    35.920    0.000    0.000
LGA    K   106_A      K   106_A    33.654     0    0.048   1.506    38.903    0.000    0.000
LGA    D   107_A      D   107_A    31.952     0    0.049   0.845    34.266    0.000    0.000
LGA    L   108_A      L   108_A    35.952     0    0.029   1.101    38.495    0.000    0.000
LGA    A   109_A      A   109_A    38.842     0    0.023   0.034    39.712    0.000    0.000
LGA    K   110_A      K   110_A    36.399     0    0.041   1.270    38.521    0.000    0.000
LGA    V   111_A      V   111_A    39.301     0    0.074   0.106    42.887    0.000    0.000
LGA    W   112_A      W   112_A    44.374     0    0.019   1.038    51.781    0.000    0.000
LGA    D   113_A      D   113_A    43.475     0    0.616   0.851    45.975    0.000    0.000
LGA    E   114_A      E   114_A    42.060     0    0.646   1.279    45.058    0.000    0.000
LGA    C   115_A      C   115_A    46.909     0    0.620   0.660    47.537    0.000    0.000
LGA    F   116_A      F   116_A    49.748     0    0.644   0.934    55.274    0.000    0.000
LGA    K   117_A      K   117_A    45.441     0    0.634   1.101    46.468    0.000    0.000
LGA    K   118_A      K   118_A    43.137     0    0.184   1.041    45.340    0.000    0.000
LGA    N   119_A      N   119_A    50.021     0    0.288   0.965    53.450    0.000    0.000
LGA    R   120_A      R   120_A    53.054     6    0.668   0.635    55.169    0.000    0.000
LGA    V   121_A      V   121_A    59.384     0    0.669   1.019    62.638    0.000    0.000
LGA    L   122_A      L   122_A    62.006     0    0.614   0.836    66.052    0.000    0.000
LGA    Q   123_A      Q   123_A    63.246     0    0.166   0.950    67.076    0.000    0.000
LGA    H   124_A      H   124_A    66.947     0    0.075   1.152    70.915    0.000    0.000
LGA    G   125_A      G   125_A    70.577     0    0.687   0.687    70.577    0.000    0.000
LGA    S   126_A      S   126_A    70.087     0    0.224   0.276    70.257    0.000    0.000

# 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):    21.067         21.049                 21.584           25.070   21.952

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0     32    1.71    27.619    25.652     1.766

LGA_LOCAL      RMSD:   1.712  Number of atoms:   32  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  34.763  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:  21.067  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.131232 * X  +   0.901473 * Y  +   0.412461 * Z  + -42.476864
  Y_new =  -0.970460 * X  +   0.031854 * Y  +   0.239150 * Z  + -27.899673
  Z_new =   0.202449 * X  +  -0.431661 * Y  +   0.879024 * Z  +  16.827240 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.436385 -0.203858 -0.456477   [DEG:  -82.2988  -11.6802  -26.1542 ]
ZXZ:  2.096240  0.496985  2.703052   [DEG:  120.1057   28.4751  154.8734 ]
 
# END of job
