
#######################################################
#                                                     #
#                        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  107 (  884),  selected  107 , name one
# Molecule2: number of CA atoms  123 (  980),  selected  107 , 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:   107      19_A - 125_A       2.79     2.79
  LCS_AVERAGE:     86.99

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105      19_A - 123_A       1.92     2.82
  LCS_AVERAGE:     83.82

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    70      52_A - 121_A       0.97     2.95
  LCS_AVERAGE:     44.14

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  107
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     S    19_A     S    19_A      3  105  107      3    3    3   18   24   35   53   71   93  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     H    20_A     H    20_A     21  105  107      3    4   21   44   62   80   98  100  101  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     M    21_A     M    21_A     28  105  107      5   28   74   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     Q    22_A     Q    22_A     28  105  107     25   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     E    23_A     E    23_A     28  105  107     37   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     E    24_A     E    24_A     28  105  107     19   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     E    25_A     E    25_A     28  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     F    26_A     F    26_A     28  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     H    27_A     H    27_A     28  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    28_A     K    28_A     28  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     L    29_A     L    29_A     28  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     A    30_A     A    30_A     28  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     N    31_A     N    31_A     28  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     F    32_A     F    32_A     28  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     T    33_A     T    33_A     28  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     I    34_A     I    34_A     28  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     N    35_A     N    35_A     28  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     H    36_A     H    36_A     28  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     L    37_A     L    37_A     28  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     L    38_A     L    38_A     28  105  107     39   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     E    39_A     E    39_A     28  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    40_A     K    40_A     28  105  107     43   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     I    41_A     I    41_A     28  105  107     16   76   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     E    42_A     E    42_A     28  105  107     12   75   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     D    43_A     D    43_A     28  105  107     37   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     Y    44_A     Y    44_A     28  105  107     14   55   84   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     G    45_A     G    45_A     28  105  107     11   37   75   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     D    46_A     D    46_A     28  105  107     11   40   75   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     N    47_A     N    47_A     28  105  107     11   34   75   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     V    48_A     V    48_A     28  105  107     11   26   53   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     Q    49_A     Q    49_A     28  105  107      3   16   34   53   88   96   98  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     I    50_A     I    50_A      3  105  107      3    3    5    8    8   16   92  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     D    51_A     D    51_A     50  105  107      7   13   64   86   90   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     G    52_A     G    52_A     70  105  107      7   40   76   89   92   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     F    53_A     F    53_A     70  105  107      9   70   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     D    54_A     D    54_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     I    55_A     I    55_A     70  105  107     43   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     D    56_A     D    56_A     70  105  107     21   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     Y    57_A     Y    57_A     70  105  107     41   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     G    58_A     G    58_A     70  105  107     22   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     N    59_A     N    59_A     70  105  107      6   27   82   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     E    60_A     E    60_A     70  105  107      6   39   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     V    61_A     V    61_A     70  105  107     30   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     L    62_A     L    62_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     T    63_A     T    63_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     L    64_A     L    64_A     70  105  107     43   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    65_A     K    65_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     L    66_A     L    66_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     G    67_A     G    67_A     70  105  107     21   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     S    68_A     S    68_A     70  105  107     18   70   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     L    69_A     L    69_A     70  105  107      9   74   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     G    70_A     G    70_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     T    71_A     T    71_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     Y    72_A     Y    72_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     V    73_A     V    73_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     L    74_A     L    74_A     70  105  107     20   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     N    75_A     N    75_A     70  105  107     27   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    76_A     K    76_A     70  105  107     39   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     Q    77_A     Q    77_A     70  105  107     39   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     T    78_A     T    78_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     P    79_A     P    79_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     N    80_A     N    80_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     R    81_A     R    81_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     Q    82_A     Q    82_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     I    83_A     I    83_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     W    84_A     W    84_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     M    85_A     M    85_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     S    86_A     S    86_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     S    87_A     S    87_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     P    88_A     P    88_A     70  105  107     41   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     V    89_A     V    89_A     70  105  107     37   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     S    90_A     S    90_A     70  105  107     37   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     G    91_A     G    91_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     P    92_A     P    92_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     S    93_A     S    93_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     R    94_A     R    94_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     F    95_A     F    95_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     D    96_A     D    96_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     W    97_A     W    97_A     70  105  107     40   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     D    98_A     D    98_A     70  105  107     19   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     R    99_A     R    99_A     70  105  107     10   41   84   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     D   100_A     D   100_A     70  105  107      4   19   46   73   92   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     A   101_A     A   101_A     70  105  107      4    6   31   53   86   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     N   102_A     N   102_A     70  105  107      4   27   46   89   92   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     A   103_A     A   103_A     70  105  107     37   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     W   104_A     W   104_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     I   105_A     I   105_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     Y   106_A     Y   106_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     R   107_A     R   107_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     R   108_A     R   108_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     T   109_A     T   109_A     70  105  107     14   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     E   110_A     E   110_A     70  105  107     18   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     A   111_A     A   111_A     70  105  107     45   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     K   112_A     K   112_A     70  105  107     19   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     L   113_A     L   113_A     70  105  107     37   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     H   114_A     H   114_A     70  105  107     33   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     K   115_A     K   115_A     70  105  107     10   71   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     L   116_A     L   116_A     70  105  107     15   73   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     L   117_A     L   117_A     70  105  107     36   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     E   118_A     E   118_A     70  105  107     40   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     E   119_A     E   119_A     70  105  107     34   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     E   120_A     E   120_A     70  105  107     37   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     L   121_A     L   121_A     70  105  107     16   77   86   89   94   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     E   122_A     E   122_A     11  105  107      3   18   47   86   92   96  100  101  102  103  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     N   123_A     N   123_A      3  105  107      3    4    4    4    4    5    6    9   13   26   44   58   85  100  103  105  105  105  105  105 
LCS_GDT     L   124_A     L   124_A      3    4  107      3    3    3    3    4    4    5    7   10   11   12   17   21   28   35   35   53   78  103  105 
LCS_GDT     C   125_A     C   125_A      3    3  107      3    3    3    3    3    5    6    8   10   11   14   17   25   27   30   33   35   41   63   65 
LCS_AVERAGE  LCS_A:  71.65  (  44.14   83.82   86.99 )

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     45     77     86     89     94     96    100    101    102    103    103    104    104    104    104    105    105    105    105    105 
GDT PERCENT_AT  36.59  62.60  69.92  72.36  76.42  78.05  81.30  82.11  82.93  83.74  83.74  84.55  84.55  84.55  84.55  85.37  85.37  85.37  85.37  85.37
GDT RMS_LOCAL    0.36   0.54   0.69   0.77   0.99   1.07   1.25   1.32   1.38   1.49   1.49   1.64   1.64   1.64   1.64   1.92   1.92   1.92   1.92   1.92
GDT RMS_ALL_AT   2.88   2.87   2.86   2.85   2.84   2.85   2.84   2.84   2.84   2.84   2.84   2.84   2.84   2.84   2.84   2.82   2.82   2.82   2.82   2.82

# Checking swapping
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  E   118_A      E   118_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    S    19_A      S    19_A     7.495     0    0.305   0.798     9.254   17.857   12.937
LGA    H    20_A      H    20_A     6.033     5    0.061   0.063     7.751   19.524    8.524
LGA    M    21_A      M    21_A     2.777     0    0.066   0.965     3.520   59.524   67.619
LGA    Q    22_A      Q    22_A     0.977     0    0.096   1.341     3.982   86.071   75.503
LGA    E    23_A      E    23_A     0.415     0    0.049   0.911     4.505   92.857   70.106
LGA    E    24_A      E    24_A     1.022     4    0.021   0.020     1.260   88.214   48.254
LGA    E    25_A      E    25_A     0.857     0    0.063   0.702     4.473   90.476   72.646
LGA    F    26_A      F    26_A     0.345     0    0.062   0.152     0.650  100.000   99.134
LGA    H    27_A      H    27_A     0.533     0    0.045   0.118     0.917   92.857   91.429
LGA    K    28_A      K    28_A     0.857     0    0.041   0.977     4.402   90.476   76.085
LGA    L    29_A      L    29_A     0.570     0    0.017   0.059     1.106   95.238   91.726
LGA    A    30_A      A    30_A     0.289     0    0.026   0.035     0.336  100.000  100.000
LGA    N    31_A      N    31_A     0.341     0    0.032   0.183     0.828  100.000   98.810
LGA    F    32_A      F    32_A     0.333     0    0.040   0.313     1.026  100.000   96.580
LGA    T    33_A      T    33_A     0.451     0    0.011   0.060     0.461  100.000  100.000
LGA    I    34_A      I    34_A     0.406     0    0.014   0.081     0.451  100.000  100.000
LGA    N    35_A      N    35_A     0.433     0    0.031   0.904     3.323  100.000   85.952
LGA    H    36_A      H    36_A     0.438     0    0.015   0.150     0.564  100.000   98.095
LGA    L    37_A      L    37_A     0.351     0    0.019   1.399     3.383  100.000   85.000
LGA    L    38_A      L    38_A     0.420     0    0.061   0.060     0.518  100.000   98.810
LGA    E    39_A      E    39_A     0.284     0    0.013   0.758     2.070  100.000   85.979
LGA    K    40_A      K    40_A     0.369     0    0.023   0.740     2.057   95.238   87.725
LGA    I    41_A      I    41_A     1.079     0    0.020   1.154     3.873   83.690   71.964
LGA    E    42_A      E    42_A     1.121     0    0.060   0.662     3.024   83.690   74.286
LGA    D    43_A      D    43_A     0.571     0    0.033   0.140     1.253   88.214   89.405
LGA    Y    44_A      Y    44_A     1.533     0    0.070   0.975     5.556   72.976   60.675
LGA    G    45_A      G    45_A     2.229     0    0.156   0.156     2.299   66.786   66.786
LGA    D    46_A      D    46_A     2.427     0    0.089   0.150     3.045   59.167   65.000
LGA    N    47_A      N    47_A     2.864     0    0.176   0.243     4.357   50.357   57.619
LGA    V    48_A      V    48_A     3.099     0    0.577   1.004     4.739   50.000   49.388
LGA    Q    49_A      Q    49_A     4.296     0    0.585   1.062     6.004   34.405   30.000
LGA    I    50_A      I    50_A     4.336     0    0.632   1.232     9.039   46.905   27.143
LGA    D    51_A      D    51_A     3.640     0    0.553   1.159     6.961   48.690   33.512
LGA    G    52_A      G    52_A     2.942     0    0.091   0.091     3.230   57.262   57.262
LGA    F    53_A      F    53_A     1.766     0    0.161   0.288     2.597   66.905   64.156
LGA    D    54_A      D    54_A     0.681     0    0.112   0.916     4.295   92.857   74.048
LGA    I    55_A      I    55_A     0.329     0    0.016   1.202     3.321   95.238   80.417
LGA    D    56_A      D    56_A     0.915     0    0.082   0.916     4.339   95.238   76.726
LGA    Y    57_A      Y    57_A     0.583     0    0.077   0.284     2.415   92.857   81.865
LGA    G    58_A      G    58_A     0.893     0    0.052   0.052     1.430   85.952   85.952
LGA    N    59_A      N    59_A     2.040     0    0.062   0.974     4.675   70.833   63.690
LGA    E    60_A      E    60_A     1.647     0    0.081   0.228     1.786   75.000   76.720
LGA    V    61_A      V    61_A     0.689     0    0.060   1.149     2.721   88.214   80.748
LGA    L    62_A      L    62_A     0.478     0    0.071   0.103     0.668   95.238   96.429
LGA    T    63_A      T    63_A     0.326     0    0.040   0.082     0.595   97.619   98.639
LGA    L    64_A      L    64_A     0.509     0    0.018   0.050     0.890   92.857   91.667
LGA    K    65_A      K    65_A     0.660     0    0.054   1.083     2.817   90.476   79.206
LGA    L    66_A      L    66_A     0.723     0    0.050   0.168     1.329   90.476   89.345
LGA    G    67_A      G    67_A     1.099     0    0.126   0.126     1.275   81.429   81.429
LGA    S    68_A      S    68_A     1.983     0    0.110   0.594     4.900   72.857   63.333
LGA    L    69_A      L    69_A     1.530     0    0.045   0.133     2.211   79.405   76.190
LGA    G    70_A      G    70_A     0.438     0    0.033   0.033     0.835   95.238   95.238
LGA    T    71_A      T    71_A     0.308     0    0.018   0.031     0.419  100.000  100.000
LGA    Y    72_A      Y    72_A     0.536     0    0.024   0.098     0.941   97.619   92.857
LGA    V    73_A      V    73_A     0.470     0    0.031   0.052     0.757   95.238   95.918
LGA    L    74_A      L    74_A     0.942     0    0.047   0.905     3.012   88.214   78.810
LGA    N    75_A      N    75_A     0.830     0    0.032   1.127     2.685   90.476   84.107
LGA    K    76_A      K    76_A     0.785     0    0.022   0.405     1.449   88.214   89.524
LGA    Q    77_A      Q    77_A     0.774     0    0.016   1.096     2.779   90.476   85.873
LGA    T    78_A      T    78_A     0.780     0    0.058   0.070     0.938   90.476   90.476
LGA    P    79_A      P    79_A     0.719     0    0.063   0.083     0.761   90.476   90.476
LGA    N    80_A      N    80_A     0.599     0    0.029   1.117     2.948   90.476   84.107
LGA    R    81_A      R    81_A     0.751     0    0.020   1.282     5.161   90.476   71.688
LGA    Q    82_A      Q    82_A     0.422     0    0.013   0.201     0.893   97.619   97.884
LGA    I    83_A      I    83_A     0.371     0    0.022   0.029     0.541  100.000   98.810
LGA    W    84_A      W    84_A     0.162     0    0.062   0.085     0.448  100.000  100.000
LGA    M    85_A      M    85_A     0.344     0    0.038   0.881     1.931   97.619   90.714
LGA    S    86_A      S    86_A     0.233     0    0.035   0.068     0.344  100.000  100.000
LGA    S    87_A      S    87_A     0.432     0    0.035   0.062     0.625  100.000   96.825
LGA    P    88_A      P    88_A     0.553     0    0.056   0.054     0.735   92.857   91.837
LGA    V    89_A      V    89_A     0.513     0    0.021   0.068     0.783   97.619   94.558
LGA    S    90_A      S    90_A     0.506     0    0.043   0.050     0.684   92.857   92.063
LGA    G    91_A      G    91_A     0.567     0    0.035   0.035     0.567   97.619   97.619
LGA    P    92_A      P    92_A     0.217     0    0.020   0.039     0.374  100.000  100.000
LGA    S    93_A      S    93_A     0.128     0    0.038   0.115     0.486  100.000  100.000
LGA    R    94_A      R    94_A     0.422     0    0.027   1.210     5.263   97.619   76.580
LGA    F    95_A      F    95_A     0.421     0    0.086   0.100     0.624   97.619   99.134
LGA    D    96_A      D    96_A     0.552     0    0.034   0.192     0.755   90.476   92.857
LGA    W    97_A      W    97_A     0.815     0    0.052   0.144     1.282   90.476   90.544
LGA    D    98_A      D    98_A     0.897     0    0.120   0.324     3.290   88.214   75.655
LGA    R    99_A      R    99_A     1.845     0    0.101   0.877     4.437   67.262   56.667
LGA    D   100_A      D   100_A     3.191     0    0.065   0.392     4.227   48.810   49.405
LGA    A   101_A      A   101_A     3.461     0    0.037   0.061     3.683   48.333   48.667
LGA    N   102_A      N   102_A     2.760     0    0.198   1.112     7.437   67.143   48.929
LGA    A   103_A      A   103_A     0.570     0    0.049   0.055     1.343   90.595   90.571
LGA    W   104_A      W   104_A     0.447     0    0.103   0.154     0.703   95.238   95.238
LGA    I   105_A      I   105_A     0.473     0    0.044   1.104     2.879  100.000   85.833
LGA    Y   106_A      Y   106_A     0.347     0    0.053   0.139     0.709   97.619   97.619
LGA    R   107_A      R   107_A     0.781     0    0.070   1.047     4.962   88.214   78.095
LGA    R   108_A      R   108_A     0.669     0    0.021   1.416     6.974   90.476   65.195
LGA    T   109_A      T   109_A     1.214     0    0.086   0.117     1.606   83.690   81.497
LGA    E   110_A      E   110_A     0.970     0    0.025   0.771     3.689   88.214   73.280
LGA    A   111_A      A   111_A     0.855     0    0.026   0.032     0.930   90.476   90.476
LGA    K   112_A      K   112_A     0.736     0    0.021   0.894     4.758   90.476   73.175
LGA    L   113_A      L   113_A     0.480     0    0.028   0.141     0.866   97.619   94.048
LGA    H   114_A      H   114_A     0.820     0    0.042   1.170     4.228   92.857   74.286
LGA    K   115_A      K   115_A     1.413     0    0.065   0.758     7.103   83.690   56.138
LGA    L   116_A      L   116_A     1.098     0    0.013   0.783     3.558   85.952   73.929
LGA    L   117_A      L   117_A     0.647     0    0.031   0.238     1.633   92.857   87.202
LGA    E   118_A      E   118_A     0.876     0    0.046   0.844     3.914   90.476   70.741
LGA    E   119_A      E   119_A     0.640     0    0.031   1.149     4.489   95.238   75.661
LGA    E   120_A      E   120_A     0.432     0    0.042   0.108     0.905   95.238   96.825
LGA    L   121_A      L   121_A     0.935     0    0.209   0.280     3.299   73.929   74.643
LGA    E   122_A      E   122_A     3.258     0    0.366   1.144     7.462   35.476   38.995
LGA    N   123_A      N   123_A    10.430     0    0.615   0.981    14.423    1.786    0.893
LGA    L   124_A      L   124_A    14.159     0    0.607   1.297    18.598    0.000    0.000
LGA    C   125_A      C   125_A    16.296     0    0.666   0.569    18.572    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      107     428    428  100.00     875    875  100.00               123
SUMMARY(RMSD_GDC):     2.794          2.882                  3.093           72.143   66.884

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  123    4.0    101    1.32    75.610    79.332     7.119

LGA_LOCAL      RMSD:   1.319  Number of atoms:  101  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.838  Number of assigned atoms:  107 
Std_ASGN_ATOMS RMSD:   2.794  Standard rmsd on all 107 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.778610 * X  +  -0.022263 * Y  +   0.627113 * Z  +   1.925892
  Y_new =   0.374344 * X  +   0.785586 * Y  +   0.492668 * Z  +   7.810850
  Z_new =  -0.503619 * X  +   0.618352 * Y  +  -0.603331 * Z  + -29.796642 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.693434  0.527783  2.343899   [DEG:  154.3224   30.2397  134.2955 ]
ZXZ:  2.236703  2.218468 -0.683492   [DEG:  128.1536  127.1088  -39.1612 ]
 
# END of job
