
#######################################################
#                                                     #
#                        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  101 (  823),  selected   97 , name one
# Molecule2: number of CA atoms   97 (  780),  selected   97 , 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:    52      49_A - 100_A       4.63    22.07
  LCS_AVERAGE:     52.17

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    44       4_A - 47_A        1.69    20.87
  LONGEST_CONTINUOUS_SEGMENT:    44      54_A - 97_A        1.96    21.64
  LCS_AVERAGE:     42.63

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34      11_A - 44_A        0.91    20.98
  LCS_AVERAGE:     28.18

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   97
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     E     4_A     E     4_A      8   44   49      6    8   25   35   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     I     5_A     I     5_A      8   44   49      6   23   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     K     6_A     K     6_A      8   44   49      6   17   29   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     G     7_A     G     7_A     23   44   49     10   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     Y     8_A     Y     8_A     23   44   49     11   26   33   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     E     9_A     E     9_A     23   44   49      6   17   30   36   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     Y    10_A     Y    10_A     23   44   49      9   17   29   36   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     Q    11_A     Q    11_A     34   44   49      8   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     L    12_A     L    12_A     34   44   49     22   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     Y    13_A     Y    13_A     34   44   49     22   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   54 
LCS_GDT     V    14_A     V    14_A     34   44   49     22   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     Y    15_A     Y    15_A     34   44   49     22   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     A    16_A     A    16_A     34   44   49     22   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     S    17_A     S    17_A     34   44   49     22   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     D    18_A     D    18_A     34   44   49     22   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     K    19_A     K    19_A     34   44   49     22   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   54   59 
LCS_GDT     L    20_A     L    20_A     34   44   49     22   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   55   58   59 
LCS_GDT     F    21_A     F    21_A     34   44   49     22   27   34   39   42   43   43   44   45   46   47   47   48   49   50   52   54   55   58   59 
LCS_GDT     R    22_A     R    22_A     34   44   49     22   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   54   54   55   55 
LCS_GDT     A    23_A     A    23_A     34   44   49     22   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     D    24_A     D    24_A     34   44   49     22   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     I    25_A     I    25_A     34   44   49     22   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     S    26_A     S    26_A     34   44   49     22   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     E    27_A     E    27_A     34   44   49     17   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     D    28_A     D    28_A     34   44   49     10   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     Y    29_A     Y    29_A     34   44   49     11   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     K    30_A     K    30_A     34   44   49      9   22   33   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     T    31_A     T    31_A     34   44   49      9   17   31   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     R    32_A     R    32_A     34   44   49      9   22   33   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     G    33_A     G    33_A     34   44   49      9   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     R    34_A     R    34_A     34   44   49     12   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     K    35_A     K    35_A     34   44   49     22   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     L    36_A     L    36_A     34   44   49     22   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     L    37_A     L    37_A     34   44   49     22   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     R    38_A     R    38_A     34   44   49     22   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     F    39_A     F    39_A     34   44   49      5   19   34   39   42   43   43   44   45   46   47   47   48   49   50   50   51   51   52   53 
LCS_GDT     N    40_A     N    40_A     34   44   49     10   27   34   39   42   43   43   44   45   46   47   47   48   49   50   50   54   54   55   55 
LCS_GDT     G    41_A     G    41_A     34   44   49     22   27   34   39   42   43   43   44   45   46   47   48   51   51   52   52   55   55   58   59 
LCS_GDT     P    42_A     P    42_A     34   44   49     22   27   34   39   42   43   43   44   45   46   47   50   51   51   53   54   55   56   58   59 
LCS_GDT     V    43_A     V    43_A     34   44   49     22   27   34   39   42   43   43   44   45   46   47   50   51   51   53   54   55   56   58   59 
LCS_GDT     P    44_A     P    44_A     34   44   49     19   27   34   39   42   43   43   44   45   46   47   47   48   51   53   54   55   56   58   59 
LCS_GDT     P    45_A     P    45_A     18   44   49      3    7   26   34   36   42   43   44   44   46   47   47   48   49   53   54   55   56   58   59 
LCS_GDT     P    46_A     P    46_A      3   44   49      6   23   34   39   42   43   43   44   45   46   47   47   48   50   53   54   55   56   58   59 
LCS_GDT     G    47_A     G    47_A      3   44   49      3    3    6   11   27   34   40   44   45   46   47   47   48   49   50   50   54   56   56   59 
LCS_GDT     G    48_A     G    48_A      3    7   49      3    3    4    5    8    9   11   12   16   22   35   41   45   48   50   50   51   51   52   55 
LCS_GDT     S    49_A     S    49_A      3    7   52      3    3    4    5    7    7    9   11   13   16   18   21   24   26   30   35   39   47   52   53 
LCS_GDT     G    50_A     G    50_A      3    7   52      3    3    4    5    7    7    9   11   13   16   18   21   24   27   31   38   44   48   51   59 
LCS_GDT     G    51_A     G    51_A      4    7   52      3    4    5    5    7    7    9   11   13   16   19   23   26   35   41   47   53   56   58   59 
LCS_GDT     G    52_A     G    52_A      4   11   52      3    4    5    6    9   12   19   28   36   41   42   47   51   51   53   54   55   56   58   59 
LCS_GDT     E    53_A     E    53_A      4   43   52      3    4    7   16   23   36   39   42   45   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     W    54_A     W    54_A     25   44   52      7   18   27   34   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     E    55_A     E    55_A     26   44   52      9   25   31   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     I    56_A     I    56_A     33   44   52     14   25   31   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     I    57_A     I    57_A     33   44   52     14   25   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     D    58_A     D    58_A     33   44   52     14   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     I    59_A     I    59_A     33   44   52     14   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     G    60_A     G    60_A     33   44   52     14   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     P    61_A     P    61_A     33   44   52     14   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     F    62_A     F    62_A     33   44   52     14   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     T    63_A     T    63_A     33   44   52     14   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     Q    64_A     Q    64_A     33   44   52     14   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     N    65_A     N    65_A     33   44   52     14   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     L    66_A     L    66_A     33   44   52     14   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     G    67_A     G    67_A     33   44   52     14   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     K    68_A     K    68_A     33   44   52     14   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     F    69_A     F    69_A     33   44   52     13   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     A    70_A     A    70_A     33   44   52     13   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     V    71_A     V    71_A     33   44   52     14   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     D    72_A     D    72_A     33   44   52     13   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     E    73_A     E    73_A     33   44   52     13   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     E    74_A     E    74_A     33   44   52     13   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     N    75_A     N    75_A     33   44   52     14   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     K    76_A     K    76_A     33   44   52     13   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     I    77_A     I    77_A     33   44   52     13   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     G    78_A     G    78_A     33   44   52     13   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     Q    79_A     Q    79_A     33   44   52     12   19   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     Y    80_A     Y    80_A     33   44   52      4   19   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     G    81_A     G    81_A     33   44   52      5   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     R    82_A     R    82_A     33   44   52     13   22   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     L    83_A     L    83_A     33   44   52     13   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     T    84_A     T    84_A     33   44   52      5   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     F    85_A     F    85_A     33   44   52     12   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     N    86_A     N    86_A     33   44   52     13   26   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     K    87_A     K    87_A     33   44   52     14   25   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     V    88_A     V    88_A     33   44   52     14   25   32   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     I    89_A     I    89_A     33   44   52     12   25   31   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     R    90_A     R    90_A     27   44   52     12   25   31   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     P    91_A     P    91_A     25   44   52     12   23   31   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     C    92_A     C    92_A     14   44   52     14   25   31   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     M    93_A     M    93_A     14   44   52     14   25   31   38   40   43   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     K    94_A     K    94_A     14   44   52     12   25   31   38   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     K    95_A     K    95_A     14   44   52      6   18   27   34   40   42   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     T    96_A     T    96_A     13   44   52      7   12   20   28   35   39   43   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     I    97_A     I    97_A     13   44   52      5   12   17   27   33   38   41   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     Y    98_A     Y    98_A      9   19   52      5    8   15   27   29   36   41   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     E    99_A     E    99_A      9   19   52      3    9   17   27   31   36   39   44   46   47   48   50   51   51   53   54   55   56   58   59 
LCS_GDT     N   100_A     N   100_A      9   19   52      0    9   17   27   31   36   39   42   46   47   48   50   51   51   52   54   55   56   58   59 
LCS_AVERAGE  LCS_A:  40.99  (  28.18   42.63   52.17 )

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     22     27     34     39     42     43     43     44     46     47     48     50     51     51     53     54     55     56     58     59 
GDT PERCENT_AT  22.68  27.84  35.05  40.21  43.30  44.33  44.33  45.36  47.42  48.45  49.48  51.55  52.58  52.58  54.64  55.67  56.70  57.73  59.79  60.82
GDT RMS_LOCAL    0.37   0.52   0.86   1.11   1.28   1.39   1.39   1.49   2.43   2.51   2.59   2.87   3.00   3.00   3.85   3.87   3.96   4.48   4.68   4.97
GDT RMS_ALL_AT  20.86  20.91  20.93  20.90  20.86  20.85  20.85  20.92  21.78  21.77  21.79  21.84  21.79  21.79  22.09  22.07  22.01  22.19  21.88  21.86

# Checking swapping
#   possible swapping detected:  Y    13_A      Y    13_A
#   possible swapping detected:  Y    15_A      Y    15_A
#   possible swapping detected:  F    21_A      F    21_A
#   possible swapping detected:  D    28_A      D    28_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  E    55_A      E    55_A
#   possible swapping detected:  F    69_A      F    69_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  Y    80_A      Y    80_A
#   possible swapping detected:  F    85_A      F    85_A
#   possible swapping detected:  Y    98_A      Y    98_A
#   possible swapping detected:  E    99_A      E    99_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     4_A      E     4_A     2.667     4    0.609   0.588     5.654   62.857   30.317
LGA    I     5_A      I     5_A     1.460     0    0.064   1.212     2.537   75.000   72.143
LGA    K     6_A      K     6_A     1.995     0    0.082   1.075     7.822   77.143   50.159
LGA    G     7_A      G     7_A     0.994     0    0.028   0.028     1.613   81.548   81.548
LGA    Y     8_A      Y     8_A     2.127     0    0.035   0.118     2.431   66.786   68.135
LGA    E     9_A      E     9_A     2.572     0    0.032   0.558     4.502   59.048   54.339
LGA    Y    10_A      Y    10_A     2.632     0    0.147   0.307     2.891   59.048   57.778
LGA    Q    11_A      Q    11_A     1.334     0    0.152   1.092     6.764   86.190   57.302
LGA    L    12_A      L    12_A     0.659     0    0.127   0.965     3.213   90.476   79.226
LGA    Y    13_A      Y    13_A     0.270     0    0.124   0.274     2.797  100.000   84.405
LGA    V    14_A      V    14_A     0.272     0    0.031   1.168     2.484   97.619   88.571
LGA    Y    15_A      Y    15_A     0.965     0    0.067   0.247     3.200   85.952   72.778
LGA    A    16_A      A    16_A     1.095     0    0.042   0.054     1.095   81.429   81.429
LGA    S    17_A      S    17_A     1.174     0    0.026   0.708     3.139   81.429   76.190
LGA    D    18_A      D    18_A     1.249     0    0.054   0.285     2.056   81.429   78.274
LGA    K    19_A      K    19_A     0.969     0    0.063   0.944     2.789   88.214   80.952
LGA    L    20_A      L    20_A     0.432     0    0.064   0.783     2.931   95.238   84.226
LGA    F    21_A      F    21_A     0.219     0    0.083   0.257     0.655  100.000   98.268
LGA    R    22_A      R    22_A     0.550     0    0.265   0.807     4.847   88.452   69.784
LGA    A    23_A      A    23_A     0.273     0    0.129   0.136     0.498  100.000  100.000
LGA    D    24_A      D    24_A     0.990     0    0.033   0.176     1.766   88.214   83.750
LGA    I    25_A      I    25_A     1.230     0    0.057   0.540     1.445   81.429   82.560
LGA    S    26_A      S    26_A     0.767     0    0.046   0.049     0.909   90.476   90.476
LGA    E    27_A      E    27_A     0.451     0    0.039   0.177     1.700   97.619   89.683
LGA    D    28_A      D    28_A     0.747     0    0.024   0.729     2.856   88.214   81.786
LGA    Y    29_A      Y    29_A     0.926     0    0.067   0.101     1.666   83.810   87.500
LGA    K    30_A      K    30_A     2.021     0    0.070   1.173     2.508   66.786   69.630
LGA    T    31_A      T    31_A     2.434     0    0.094   1.062     2.969   64.762   63.673
LGA    R    32_A      R    32_A     1.895     0    0.066   1.028     2.929   70.833   67.836
LGA    G    33_A      G    33_A     1.090     0    0.071   0.071     1.436   85.952   85.952
LGA    R    34_A      R    34_A     0.541     0    0.042   0.657     5.015   90.476   65.628
LGA    K    35_A      K    35_A     1.155     0    0.171   1.141     5.678   81.548   63.598
LGA    L    36_A      L    36_A     0.885     0    0.082   1.199     3.082   88.214   82.083
LGA    L    37_A      L    37_A     1.085     0    0.055   0.096     1.689   81.429   79.286
LGA    R    38_A      R    38_A     0.884     0    0.142   0.561     4.026   95.238   69.784
LGA    F    39_A      F    39_A     1.454     0    0.200   0.663     9.452   88.214   43.117
LGA    N    40_A      N    40_A     0.570     0    0.229   1.140     3.969   95.238   83.631
LGA    G    41_A      G    41_A     0.547     0    0.085   0.085     0.756   92.857   92.857
LGA    P    42_A      P    42_A     0.595     0    0.064   0.281     1.235   90.476   89.184
LGA    V    43_A      V    43_A     0.592     0    0.076   1.139     2.860   90.476   83.401
LGA    P    44_A      P    44_A     0.555     0    0.700   0.728     2.122   81.786   81.701
LGA    P    45_A      P    45_A     3.717     0    0.528   0.992     7.468   61.905   42.313
LGA    P    46_A      P    46_A     1.166     0    0.637   0.619     2.564   75.476   78.231
LGA    G    47_A      G    47_A     6.500     0    0.263   0.263     7.576   15.476   15.476
LGA    G    48_A      G    48_A    11.070     0    0.125   0.125    12.510    0.357    0.357
LGA    S    49_A      S    49_A    13.499     0    0.063   0.624    14.937    0.000    0.000
LGA    G    50_A      G    50_A    16.428     0    0.058   0.058    16.555    0.000    0.000
LGA    G    51_A      G    51_A    17.966     0    0.174   0.174    19.776    0.000    0.000
LGA    G    52_A      G    52_A    19.482     0    0.093   0.093    19.482    0.000    0.000
LGA    E    53_A      E    53_A    18.511     0    0.085   1.276    23.468    0.000    0.000
LGA    W    54_A      W    54_A    13.089     0    0.284   0.859    15.728    0.000    0.068
LGA    E    55_A      E    55_A     9.517     0    0.019   1.331    11.257    6.905    3.333
LGA    I    56_A      I    56_A     7.565     0    0.036   0.635    11.373   10.238    5.119
LGA    I    57_A      I    57_A     6.988     0    0.043   0.101    10.520    7.738    9.762
LGA    D    58_A      D    58_A    13.515     0    0.045   0.399    18.490    0.000    0.000
LGA    I    59_A      I    59_A    18.646     0    0.071   0.106    23.376    0.000    0.000
LGA    G    60_A      G    60_A    22.673     0    0.069   0.069    23.995    0.000    0.000
LGA    P    61_A      P    61_A    27.565     0    0.052   0.075    29.573    0.000    0.000
LGA    F    62_A      F    62_A    23.315     0    0.034   1.425    24.163    0.000    0.000
LGA    T    63_A      T    63_A    19.698     0    0.028   0.084    21.946    0.000    0.000
LGA    Q    64_A      Q    64_A    26.198     0    0.033   0.119    28.499    0.000    0.000
LGA    N    65_A      N    65_A    29.602     0    0.079   0.276    33.633    0.000    0.000
LGA    L    66_A      L    66_A    24.748     0    0.052   0.329    25.790    0.000    0.000
LGA    G    67_A      G    67_A    25.105     0    0.033   0.033    28.417    0.000    0.000
LGA    K    68_A      K    68_A    32.600     0    0.029   0.872    43.196    0.000    0.000
LGA    F    69_A      F    69_A    33.106     0    0.042   1.429    34.970    0.000    0.000
LGA    A    70_A      A    70_A    29.033     0    0.022   0.029    31.240    0.000    0.000
LGA    V    71_A      V    71_A    32.345     0    0.043   0.110    36.131    0.000    0.000
LGA    D    72_A      D    72_A    39.064     0    0.036   0.082    41.200    0.000    0.000
LGA    E    73_A      E    73_A    38.067     0    0.027   1.052    41.604    0.000    0.000
LGA    E    74_A      E    74_A    35.020     0    0.040   0.128    37.963    0.000    0.000
LGA    N    75_A      N    75_A    40.879     0    0.069   0.092    44.649    0.000    0.000
LGA    K    76_A      K    76_A    45.339     0    0.075   0.654    48.300    0.000    0.000
LGA    I    77_A      I    77_A    41.850     0    0.040   0.666    43.301    0.000    0.000
LGA    G    78_A      G    78_A    41.128     0    0.058   0.058    41.128    0.000    0.000
LGA    Q    79_A      Q    79_A    35.165     0    0.085   0.820    37.048    0.000    0.000
LGA    Y    80_A      Y    80_A    32.474     0    0.181   1.348    34.783    0.000    0.000
LGA    G    81_A      G    81_A    39.436     0    0.088   0.088    39.940    0.000    0.000
LGA    R    82_A      R    82_A    42.198     0    0.050   1.090    48.895    0.000    0.000
LGA    L    83_A      L    83_A    37.421     0    0.056   0.138    40.193    0.000    0.000
LGA    T    84_A      T    84_A    39.729     0    0.061   1.145    43.360    0.000    0.000
LGA    F    85_A      F    85_A    35.814     0    0.071   1.430    38.976    0.000    0.000
LGA    N    86_A      N    86_A    35.561     0    0.163   0.273    38.342    0.000    0.000
LGA    K    87_A      K    87_A    30.592     0    0.096   0.730    36.017    0.000    0.000
LGA    V    88_A      V    88_A    23.287     0    0.064   0.071    26.103    0.000    0.000
LGA    I    89_A      I    89_A    21.984     0    0.052   0.099    25.870    0.000    0.000
LGA    R    90_A      R    90_A    17.986     0    0.050   1.017    26.028    0.000    0.000
LGA    P    91_A      P    91_A    13.568     0    0.059   0.473    15.499    0.000    0.000
LGA    C    92_A      C    92_A     9.259     0    0.093   0.092    10.862    7.024    4.683
LGA    M    93_A      M    93_A     3.720     0    0.092   0.781     6.597   29.524   27.262
LGA    K    94_A      K    94_A     7.611     0    0.083   0.815    12.358    9.048    4.815
LGA    K    95_A      K    95_A    13.316     0    0.085   0.763    19.760    0.000    0.000
LGA    T    96_A      T    96_A    19.602     0    0.068   0.851    22.326    0.000    0.000
LGA    I    97_A      I    97_A    25.952     0    0.122   0.295    28.868    0.000    0.000
LGA    Y    98_A      Y    98_A    32.317     0    0.040   0.150    34.814    0.000    0.000
LGA    E    99_A      E    99_A    38.207     0    0.597   1.332    41.033    0.000    0.000
LGA    N   100_A      N   100_A    42.961     0    0.251   0.964    43.824    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       97     388    388  100.00     780    780  100.00                97
SUMMARY(RMSD_GDC):    18.019         18.019                 18.458           37.893   33.962

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   97    4.0     44    1.49    42.268    43.638     2.765

LGA_LOCAL      RMSD:   1.492  Number of atoms:   44  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  20.917  Number of assigned atoms:   97 
Std_ASGN_ATOMS RMSD:  18.019  Standard rmsd on all 97 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.448243 * X  +   0.726697 * Y  +  -0.520567 * Z  +  15.311488
  Y_new =   0.823893 * X  +   0.109918 * Y  +  -0.555985 * Z  +  10.729212
  Z_new =  -0.346813 * X  +  -0.678107 * Y  +  -0.647990 * Z  +  67.131218 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.069064  0.354171 -2.333487   [DEG:  118.5486   20.2925 -133.6990 ]
ZXZ: -0.752511  2.275739 -2.668833   [DEG:  -43.1157  130.3902 -152.9129 ]
 
# END of job
