
#######################################################
#                                                     #
#                        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 (  864),  selected  107 , name one
# Molecule2: number of CA atoms  109 (  875),  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       3_A - 109_A       1.78     1.78
  LCS_AVERAGE:     98.17

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   107       3_A - 109_A       1.78     1.78
  LCS_AVERAGE:     98.17

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58      50_A - 107_A       0.95     1.92
  LONGEST_CONTINUOUS_SEGMENT:    58      51_A - 108_A       0.99     1.99
  LCS_AVERAGE:     41.67

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     I     3_A     I     3_A     35  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     I     4_A     I     4_A     35  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     E     5_A     E     5_A     35  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     N     6_A     N     6_A     35  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     C     7_A     C     7_A     35  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     A     8_A     A     8_A     35  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     A     9_A     A     9_A     35  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     F    10_A     F    10_A     35  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     I    11_A     I    11_A     35  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     E    12_A     E    12_A     35  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     K    13_A     K    13_A     35  107  107     45   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     T    14_A     T    14_A     35  107  107      6   78   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     M    15_A     M    15_A     35  107  107     45   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     S    16_A     S    16_A     35  107  107     28   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     K    17_A     K    17_A     35  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     Y    18_A     Y    18_A     35  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     A    19_A     A    19_A     35  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     I    20_A     I    20_A     35  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     T    21_A     T    21_A     35  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     L    22_A     L    22_A     35  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     S    23_A     S    23_A     35  107  107     45   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     D    24_A     D    24_A     35  107  107     46   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     G    25_A     G    25_A     35  107  107     52   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     T    26_A     T    26_A     35  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     I    27_A     I    27_A     35  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     L    28_A     L    28_A     35  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     K    29_A     K    29_A     35  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     S    30_A     S    30_A     35  107  107     58   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     T    31_A     T    31_A     35  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     I    32_A     I    32_A     35  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     K    33_A     K    33_A     35  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     N    34_A     N    34_A     35  107  107     10   53   83   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     E    35_A     E    35_A     35  107  107      6   25   80   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     T    36_A     T    36_A     35  107  107      5   14   72   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     L    37_A     L    37_A     35  107  107      3   17   73   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     K    38_A     K    38_A     16  107  107      4   14   33   81   95   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     K    39_A     K    39_A     16  107  107      7   14   25   49   82   98  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     T    40_A     T    40_A     16  107  107      7   12   39   80   95   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     F    41_A     F    41_A     16  107  107      7   25   70   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     P    42_A     P    42_A     16  107  107      6   14   23   38   70   83  101  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     I    43_A     I    43_A     16  107  107      6   12   24   42   75   97  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     L    44_A     L    44_A     16  107  107      6   25   74   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     K    45_A     K    45_A     16  107  107      7   56   82   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     N    46_A     N    46_A     16  107  107      5   32   64   91   95   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     L    47_A     L    47_A     16  107  107      7   58   83   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     L    48_A     L    48_A     16  107  107      5   12   43   87   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     K    49_A     K    49_A     14  107  107      5   11   15   19   28   95  100  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     D    50_A     D    50_A     58  107  107      3   49   76   90   95   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     Q    51_A     Q    51_A     58  107  107      4   26   55   80   89   95   98  101  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     I    52_A     I    52_A     58  107  107      4   33   80   88   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     P    53_A     P    53_A     58  107  107     38   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     T    54_A     T    54_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     G    55_A     G    55_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     S    56_A     S    56_A     58  107  107     60   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     S    57_A     S    57_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     F    58_A     F    58_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     F    59_A     F    59_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     K    60_A     K    60_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     L    61_A     L    61_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     P    62_A     P    62_A     58  107  107     62   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     V    63_A     V    63_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     V    64_A     V    64_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     F    65_A     F    65_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     F    66_A     F    66_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     R    67_A     R    67_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     V    68_A     V    68_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     T    69_A     T    69_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     D    70_A     D    70_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     N    71_A     N    71_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     V    72_A     V    72_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     I    73_A     I    73_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     V    74_A     V    74_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     I    75_A     I    75_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     L    76_A     L    76_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     L    77_A     L    77_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     T    78_A     T    78_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     N    79_A     N    79_A     58  107  107     10   71   83   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     E    80_A     E    80_A     58  107  107     44   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     K    81_A     K    81_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     E    82_A     E    82_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     N    83_A     N    83_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     I    84_A     I    84_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     I    85_A     I    85_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     L    86_A     L    86_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     S    87_A     S    87_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     M    88_A     M    88_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     F    89_A     F    89_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     E    90_A     E    90_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     L    91_A     L    91_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     F    92_A     F    92_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     S    93_A     S    93_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     T    94_A     T    94_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     Q    95_A     Q    95_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     F    96_A     F    96_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     A    97_A     A    97_A     58  107  107     63   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     E    98_A     E    98_A     58  107  107     52   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     K    99_A     K    99_A     58  107  107     41   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     L   100_A     L   100_A     58  107  107     61   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     A   101_A     A   101_A     58  107  107     35   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     L   102_A     L   102_A     58  107  107     22   79   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     E   103_A     E   103_A     58  107  107     35   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     Y   104_A     Y   104_A     58  107  107     41   80   85   91   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     P   105_A     P   105_A     58  107  107     22   73   85   90   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     R   106_A     R   106_A     58  107  107     16   59   85   88   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     T   107_A     T   107_A     58  107  107     12   59   85   88   96   99  102  104  104  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     Y   108_A     Y   108_A     58  107  107      4    5   47   80   89   92   95  100  103  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     E   109_A     E   109_A     23  107  107      3    3   10   11   16   31   89   94   97  100  104  106  107  107  107  107  107  107  107  107 
LCS_AVERAGE  LCS_A:  79.33  (  41.67   98.17   98.17 )

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     63     80     85     91     96     99    102    104    104    106    106    106    107    107    107    107    107    107    107    107 
GDT PERCENT_AT  57.80  73.39  77.98  83.49  88.07  90.83  93.58  95.41  95.41  97.25  97.25  97.25  98.17  98.17  98.17  98.17  98.17  98.17  98.17  98.17
GDT RMS_LOCAL    0.30   0.47   0.62   0.89   1.02   1.17   1.36   1.49   1.47   1.63   1.63   1.63   1.78   1.78   1.78   1.78   1.78   1.78   1.78   1.78
GDT RMS_ALL_AT   1.88   1.86   1.88   1.80   1.80   1.80   1.79   1.81   1.79   1.79   1.79   1.79   1.78   1.78   1.78   1.78   1.78   1.78   1.78   1.78

# Checking swapping
#   possible swapping detected:  E    12_A      E    12_A
#   possible swapping detected:  E    35_A      E    35_A
#   possible swapping detected:  F    41_A      F    41_A
#   possible swapping detected:  F    58_A      F    58_A
#   possible swapping detected:  F    59_A      F    59_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  E    90_A      E    90_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  E   103_A      E   103_A
#   possible swapping detected:  Y   108_A      Y   108_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    I     3_A      I     3_A     0.868     0    0.069   0.981     2.964   88.214   77.798
LGA    I     4_A      I     4_A     0.796     0    0.074   0.849     2.669   90.476   82.976
LGA    E     5_A      E     5_A     0.944     0    0.030   0.970     5.343   88.214   68.519
LGA    N     6_A      N     6_A     0.594     0    0.030   0.070     1.088   95.238   90.595
LGA    C     7_A      C     7_A     0.243     0    0.014   0.056     0.352  100.000  100.000
LGA    A     8_A      A     8_A     0.420     0    0.052   0.066     0.433  100.000  100.000
LGA    A     9_A      A     9_A     0.361     0    0.053   0.055     0.601  100.000   98.095
LGA    F    10_A      F    10_A     0.191     0    0.020   0.060     0.714  100.000   96.537
LGA    I    11_A      I    11_A     0.044     0    0.015   0.068     0.291  100.000  100.000
LGA    E    12_A      E    12_A     0.362     0    0.023   0.174     1.189  100.000   95.820
LGA    K    13_A      K    13_A     0.532     0    0.087   1.321     6.443   90.595   70.317
LGA    T    14_A      T    14_A     1.094     0    0.085   0.994     2.589   83.690   78.027
LGA    M    15_A      M    15_A     0.765     0    0.051   0.288     0.839   90.476   90.476
LGA    S    16_A      S    16_A     1.260     0    0.078   0.130     1.892   81.429   78.571
LGA    K    17_A      K    17_A     0.720     0    0.041   1.020     3.776   90.476   83.439
LGA    Y    18_A      Y    18_A     0.556     0    0.019   0.110     0.831   90.476   96.032
LGA    A    19_A      A    19_A     0.578     0    0.034   0.050     0.757   95.238   94.286
LGA    I    20_A      I    20_A     0.480     0    0.013   0.041     0.614   95.238   96.429
LGA    T    21_A      T    21_A     0.709     0    0.015   0.156     1.379   90.476   89.184
LGA    L    22_A      L    22_A     0.803     0    0.030   0.058     0.999   90.476   90.476
LGA    S    23_A      S    23_A     0.632     0    0.039   0.166     1.031   90.476   88.968
LGA    D    24_A      D    24_A     0.567     0    0.132   0.236     1.058   88.214   89.345
LGA    G    25_A      G    25_A     0.727     0    0.041   0.041     0.811   90.476   90.476
LGA    T    26_A      T    26_A     0.745     0    0.037   0.084     0.888   90.476   90.476
LGA    I    27_A      I    27_A     0.873     0    0.016   0.108     1.128   88.214   87.083
LGA    L    28_A      L    28_A     0.774     0    0.023   0.027     0.928   90.476   90.476
LGA    K    29_A      K    29_A     0.567     0    0.039   0.463     2.282   90.476   85.661
LGA    S    30_A      S    30_A     0.862     0    0.085   0.165     1.136   88.214   85.952
LGA    T    31_A      T    31_A     0.980     0    0.054   0.118     1.142   90.476   87.891
LGA    I    32_A      I    32_A     0.743     0    0.107   0.121     1.118   88.214   91.726
LGA    K    33_A      K    33_A     0.925     0    0.111   0.726     6.079   92.857   70.582
LGA    N    34_A      N    34_A     1.595     0    0.052   0.201     3.154   75.238   65.357
LGA    E    35_A      E    35_A     2.182     0    0.033   0.803     3.067   63.095   64.974
LGA    T    36_A      T    36_A     2.132     0    0.058   0.080     2.628   64.881   65.986
LGA    L    37_A      L    37_A     1.998     0    0.045   1.382     2.769   66.905   69.107
LGA    K    38_A      K    38_A     3.236     0    0.053   0.811     9.461   46.905   29.788
LGA    K    39_A      K    39_A     4.336     0    0.160   0.239     5.137   35.952   32.275
LGA    T    40_A      T    40_A     3.112     0    0.105   1.074     3.753   53.571   52.109
LGA    F    41_A      F    41_A     2.220     0    0.073   1.030     5.516   62.857   51.169
LGA    P    42_A      P    42_A     4.944     0    0.030   0.286     7.168   32.857   26.395
LGA    I    43_A      I    43_A     4.670     0    0.018   0.058     7.062   37.381   27.024
LGA    L    44_A      L    44_A     1.836     0    0.086   1.408     5.588   77.738   60.298
LGA    K    45_A      K    45_A     1.657     0    0.027   0.837     3.691   72.976   60.317
LGA    N    46_A      N    46_A     2.502     0    0.016   0.914     6.783   69.048   48.393
LGA    L    47_A      L    47_A     1.337     0    0.056   0.583     4.879   81.429   67.083
LGA    L    48_A      L    48_A     2.734     0    0.035   0.051     4.774   54.286   48.988
LGA    K    49_A      K    49_A     4.041     0    0.083   0.769     8.457   39.167   28.148
LGA    D    50_A      D    50_A     2.349     0    0.079   0.317     6.331   71.190   49.405
LGA    Q    51_A      Q    51_A     4.682     0    0.300   0.803    11.266   37.976   19.206
LGA    I    52_A      I    52_A     2.359     0    0.078   1.137     3.506   69.048   64.226
LGA    P    53_A      P    53_A     1.117     0    0.053   0.059     1.724   85.952   81.565
LGA    T    54_A      T    54_A     0.451     0    0.050   0.050     0.748   92.857   95.918
LGA    G    55_A      G    55_A     0.835     0    0.041   0.041     1.122   88.214   88.214
LGA    S    56_A      S    56_A     1.074     0    0.028   0.701     3.360   88.214   80.714
LGA    S    57_A      S    57_A     0.854     0    0.033   0.074     1.188   88.214   87.460
LGA    F    58_A      F    58_A     0.748     0    0.013   0.098     0.906   90.476   92.208
LGA    F    59_A      F    59_A     1.129     0    0.046   0.132     1.239   83.690   82.251
LGA    K    60_A      K    60_A     1.153     0    0.017   0.686     2.979   85.952   80.741
LGA    L    61_A      L    61_A     0.706     0    0.068   0.185     1.171   90.476   89.345
LGA    P    62_A      P    62_A     0.606     0    0.083   0.087     0.679   92.857   91.837
LGA    V    63_A      V    63_A     0.720     0    0.046   0.071     0.852   90.476   90.476
LGA    V    64_A      V    64_A     0.729     0    0.045   0.137     0.935   90.476   90.476
LGA    F    65_A      F    65_A     0.453     0    0.033   0.132     0.765   97.619   93.074
LGA    F    66_A      F    66_A     0.459     0    0.019   0.062     0.591  100.000   95.671
LGA    R    67_A      R    67_A     0.422     0    0.031   0.333     1.808  100.000   89.913
LGA    V    68_A      V    68_A     0.142     0    0.036   1.207     2.615  100.000   87.483
LGA    T    69_A      T    69_A     0.354     0    0.023   0.109     0.472  100.000  100.000
LGA    D    70_A      D    70_A     0.530     0    0.078   0.180     1.052   92.857   90.536
LGA    N    71_A      N    71_A     0.526     0    0.215   1.184     4.526   88.214   76.548
LGA    V    72_A      V    72_A     0.395     0    0.026   0.046     0.425  100.000  100.000
LGA    I    73_A      I    73_A     0.368     0    0.011   0.583     1.247  100.000   96.488
LGA    V    74_A      V    74_A     0.344     0    0.015   0.054     0.543   97.619   97.279
LGA    I    75_A      I    75_A     0.470     0    0.012   0.033     0.733  100.000   95.238
LGA    L    76_A      L    76_A     0.597     0    0.029   0.045     0.867   90.476   91.667
LGA    L    77_A      L    77_A     0.548     0    0.059   0.052     0.729   90.476   91.667
LGA    T    78_A      T    78_A     0.760     0    0.018   0.031     1.141   85.952   87.891
LGA    N    79_A      N    79_A     1.591     0    0.039   1.214     6.126   77.143   57.381
LGA    E    80_A      E    80_A     0.754     0    0.049   0.523     2.463   85.952   78.836
LGA    K    81_A      K    81_A     1.220     0    0.053   0.967     6.955   85.952   66.032
LGA    E    82_A      E    82_A     1.024     0    0.013   0.163     1.191   85.952   85.450
LGA    N    83_A      N    83_A     1.123     0    0.010   0.300     2.106   83.690   81.607
LGA    I    84_A      I    84_A     0.624     0    0.052   0.685     3.081   90.476   87.798
LGA    I    85_A      I    85_A     0.617     0    0.012   0.041     0.696   90.476   90.476
LGA    L    86_A      L    86_A     0.972     0    0.059   0.087     1.157   90.476   89.345
LGA    S    87_A      S    87_A     1.007     0    0.016   0.023     1.079   83.690   82.937
LGA    M    88_A      M    88_A     0.868     0    0.024   0.615     2.005   90.476   87.262
LGA    F    89_A      F    89_A     0.809     0    0.022   0.088     0.865   90.476   90.476
LGA    E    90_A      E    90_A     0.900     0    0.037   0.532     3.232   90.476   81.005
LGA    L    91_A      L    91_A     0.735     0    0.028   1.415     3.205   90.476   79.048
LGA    F    92_A      F    92_A     0.403     0    0.015   0.097     0.573   97.619   99.134
LGA    S    93_A      S    93_A     0.342     0    0.036   0.088     0.585  100.000   98.413
LGA    T    94_A      T    94_A     0.477     0    0.037   0.083     0.677  100.000   95.918
LGA    Q    95_A      Q    95_A     0.492     0    0.041   0.941     4.016  100.000   85.185
LGA    F    96_A      F    96_A     0.308     0    0.037   0.069     0.425  100.000  100.000
LGA    A    97_A      A    97_A     0.260     0    0.029   0.031     0.689   95.238   96.190
LGA    E    98_A      E    98_A     0.795     0    0.040   0.748     3.697   88.214   77.513
LGA    K    99_A      K    99_A     1.019     0    0.054   0.229     1.152   85.952   83.439
LGA    L   100_A      L   100_A     0.611     0    0.029   0.037     0.992   90.476   95.238
LGA    A   101_A      A   101_A     1.283     0    0.033   0.039     1.732   77.143   78.000
LGA    L   102_A      L   102_A     1.680     0    0.057   0.059     2.103   70.833   71.845
LGA    E   103_A      E   103_A     1.522     0    0.019   0.750     1.813   75.000   76.667
LGA    Y   104_A      Y   104_A     1.430     0    0.057   0.065     1.645   77.143   83.016
LGA    P   105_A      P   105_A     2.241     0    0.017   0.047     2.533   66.786   64.830
LGA    R   106_A      R   106_A     2.808     0    0.077   1.223    10.473   51.905   33.290
LGA    T   107_A      T   107_A     3.229     0    0.159   0.211     3.920   48.452   55.510
LGA    Y   108_A      Y   108_A     5.519     0    0.658   1.021    12.219   25.119   12.063
LGA    E   109_A      E   109_A     8.204     0    0.644   1.141    17.236    5.952    2.646

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      107     428    428  100.00     864    864  100.00               109
SUMMARY(RMSD_GDC):     1.778          1.751                  2.656           81.325   76.859

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  109    4.0    104    1.49    87.615    91.912     6.543

LGA_LOCAL      RMSD:   1.490  Number of atoms:  104  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.810  Number of assigned atoms:  107 
Std_ASGN_ATOMS RMSD:   1.778  Standard rmsd on all 107 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.752224 * X  +   0.466430 * Y  +  -0.465405 * Z  +  29.008196
  Y_new =   0.652617 * X  +  -0.430044 * Y  +   0.623821 * Z  +  -0.416591
  Z_new =   0.090825 * X  +  -0.772985 * Y  +  -0.627890 * Z  +  29.400341 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.714614 -0.090950 -2.252988   [DEG:   40.9444   -5.2111 -129.0867 ]
ZXZ: -2.500622  2.249635  3.024630   [DEG: -143.2751  128.8946  173.2985 ]
 
# END of job
