
#######################################################
#                                                     #
#                        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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     K    13_A     K    13_A     35  107  107     46   80   85   91   96   99  102  104  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     T    14_A     T    14_A     35  107  107      6   73   85   91   96   99  102  104  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     M    15_A     M    15_A     35  107  107     46   80   85   91   96   99  102  104  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     S    16_A     S    16_A     35  107  107     27   80   85   91   96   99  102  104  105  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  105  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  105  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  105  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  105  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  105  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  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     S    23_A     S    23_A     35  107  107     46   80   85   91   96   99  102  104  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     D    24_A     D    24_A     35  107  107     47   80   85   91   96   99  102  104  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     G    25_A     G    25_A     35  107  107     53   80   85   91   96   99  102  104  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     E    35_A     E    35_A     35  107  107      6   26   80   91   96   99  102  104  105  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  105  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  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     K    38_A     K    38_A     16  107  107      4   14   34   81   96   99  102  104  105  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  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     T    40_A     T    40_A     16  107  107      7   12   38   80   96   99  102  104  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     F    41_A     F    41_A     16  107  107      7   25   69   91   96   99  102  104  105  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   84  102  104  105  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  105  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  105  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  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     N    46_A     N    46_A     16  107  107      5   33   64   91   96   99  102  104  105  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  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     L    48_A     L    48_A     16  107  107      5   12   47   86   96   99  102  104  105  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  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     D    50_A     D    50_A     58  107  107      3   39   74   91   96   99  102  104  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     Q    51_A     Q    51_A     58  107  107      4   26   56   80   89   95   98  101  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     I    52_A     I    52_A     58  107  107      4   34   80   87   96   99  102  104  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     P    53_A     P    53_A     58  107  107     34   80   85   91   96   99  102  104  105  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  105  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  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     S    56_A     S    56_A     58  107  107     61   80   85   91   96   99  102  104  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     N    79_A     N    79_A     58  107  107     10   69   83   91   96   99  102  104  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  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  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     K    99_A     K    99_A     58  107  107     42   80   85   91   96   99  102  104  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     L   100_A     L   100_A     58  107  107     62   80   85   91   96   99  102  104  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     A   101_A     A   101_A     58  107  107     37   80   85   91   96   99  102  104  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     L   102_A     L   102_A     58  107  107     23   79   85   91   96   99  102  104  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     E   103_A     E   103_A     58  107  107     34   80   85   91   96   99  102  104  105  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  105  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  105  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   87   96   99  102  104  105  106  106  106  107  107  107  107  107  107  107  107 
LCS_GDT     T   107_A     T   107_A     58  107  107     18   61   85   87   96   99  102  104  105  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      0    3   10   11   16   31   89   94   98  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    105    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  96.33  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   1.41   1.49   1.55   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   1.82   1.81   1.80   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     0.877     0    0.075   0.977     2.964   88.214   77.798
LGA    I     4_A      I     4_A     0.793     0    0.070   0.849     2.651   90.476   82.976
LGA    E     5_A      E     5_A     0.935     0    0.030   0.973     5.373   88.214   68.519
LGA    N     6_A      N     6_A     0.592     0    0.025   0.062     1.078   95.238   90.595
LGA    C     7_A      C     7_A     0.223     0    0.016   0.054     0.339  100.000  100.000
LGA    A     8_A      A     8_A     0.420     0    0.050   0.061     0.434  100.000  100.000
LGA    A     9_A      A     9_A     0.372     0    0.048   0.048     0.610  100.000   98.095
LGA    F    10_A      F    10_A     0.186     0    0.017   0.052     0.700  100.000   96.537
LGA    I    11_A      I    11_A     0.060     0    0.012   0.066     0.299  100.000  100.000
LGA    E    12_A      E    12_A     0.368     0    0.025   0.186     1.220   97.619   94.762
LGA    K    13_A      K    13_A     0.546     0    0.095   1.322     6.416   90.595   71.217
LGA    T    14_A      T    14_A     1.101     0    0.082   0.979     2.563   83.690   78.027
LGA    M    15_A      M    15_A     0.772     0    0.059   0.286     0.845   90.476   90.476
LGA    S    16_A      S    16_A     1.269     0    0.073   0.122     1.905   81.429   78.571
LGA    K    17_A      K    17_A     0.725     0    0.041   1.022     3.788   90.476   83.439
LGA    Y    18_A      Y    18_A     0.568     0    0.021   0.121     0.865   90.476   96.032
LGA    A    19_A      A    19_A     0.597     0    0.037   0.061     0.780   95.238   94.286
LGA    I    20_A      I    20_A     0.491     0    0.015   0.043     0.596   92.857   94.048
LGA    T    21_A      T    21_A     0.708     0    0.015   0.152     1.358   90.476   89.184
LGA    L    22_A      L    22_A     0.796     0    0.028   0.059     0.945   90.476   90.476
LGA    S    23_A      S    23_A     0.637     0    0.032   0.181     1.058   90.476   88.968
LGA    D    24_A      D    24_A     0.545     0    0.136   0.240     1.064   88.214   89.345
LGA    G    25_A      G    25_A     0.728     0    0.039   0.039     0.818   90.476   90.476
LGA    T    26_A      T    26_A     0.769     0    0.042   0.083     0.943   90.476   90.476
LGA    I    27_A      I    27_A     0.884     0    0.025   0.115     1.182   88.214   85.952
LGA    L    28_A      L    28_A     0.770     0    0.022   0.034     0.913   90.476   90.476
LGA    K    29_A      K    29_A     0.555     0    0.036   0.452     2.259   90.476   86.720
LGA    S    30_A      S    30_A     0.860     0    0.087   0.170     1.148   88.214   85.952
LGA    T    31_A      T    31_A     0.967     0    0.053   0.110     1.122   90.476   87.891
LGA    I    32_A      I    32_A     0.746     0    0.101   0.114     1.073   88.214   91.726
LGA    K    33_A      K    33_A     0.929     0    0.107   0.723     6.065   92.857   70.582
LGA    N    34_A      N    34_A     1.609     0    0.046   0.201     3.165   72.976   64.226
LGA    E    35_A      E    35_A     2.182     0    0.031   0.803     3.054   63.095   64.974
LGA    T    36_A      T    36_A     2.126     0    0.055   0.085     2.605   64.881   65.986
LGA    L    37_A      L    37_A     1.985     0    0.036   1.381     2.778   66.905   69.107
LGA    K    38_A      K    38_A     3.234     0    0.056   0.811     9.475   46.905   29.788
LGA    K    39_A      K    39_A     4.341     0    0.155   0.236     5.179   35.952   32.275
LGA    T    40_A      T    40_A     3.119     0    0.106   1.068     3.742   53.571   52.109
LGA    F    41_A      F    41_A     2.224     0    0.064   1.026     5.546   59.167   49.827
LGA    P    42_A      P    42_A     4.941     0    0.029   0.282     7.147   32.857   26.395
LGA    I    43_A      I    43_A     4.665     0    0.022   0.069     7.105   37.381   27.024
LGA    L    44_A      L    44_A     1.848     0    0.092   1.409     5.615   77.738   60.298
LGA    K    45_A      K    45_A     1.653     0    0.023   0.826     3.693   72.976   60.317
LGA    N    46_A      N    46_A     2.494     0    0.015   0.910     6.818   70.952   49.345
LGA    L    47_A      L    47_A     1.356     0    0.052   0.596     4.917   79.286   66.012
LGA    L    48_A      L    48_A     2.736     0    0.042   0.063     4.803   54.286   48.988
LGA    K    49_A      K    49_A     4.035     0    0.081   0.770     8.472   39.167   28.148
LGA    D    50_A      D    50_A     2.349     0    0.079   0.325     6.345   71.190   49.405
LGA    Q    51_A      Q    51_A     4.685     0    0.298   0.802    11.275   37.976   19.206
LGA    I    52_A      I    52_A     2.374     0    0.077   1.138     3.518   69.048   64.226
LGA    P    53_A      P    53_A     1.102     0    0.054   0.069     1.756   85.952   81.565
LGA    T    54_A      T    54_A     0.443     0    0.052   0.060     0.747   92.857   95.918
LGA    G    55_A      G    55_A     0.830     0    0.038   0.038     1.124   88.214   88.214
LGA    S    56_A      S    56_A     1.077     0    0.027   0.698     3.335   88.214   80.714
LGA    S    57_A      S    57_A     0.853     0    0.034   0.081     1.213   85.952   85.952
LGA    F    58_A      F    58_A     0.758     0    0.014   0.100     0.912   90.476   92.208
LGA    F    59_A      F    59_A     1.156     0    0.052   0.138     1.275   83.690   82.251
LGA    K    60_A      K    60_A     1.172     0    0.021   0.688     2.968   85.952   80.741
LGA    L    61_A      L    61_A     0.714     0    0.065   0.181     1.189   90.476   89.345
LGA    P    62_A      P    62_A     0.620     0    0.084   0.086     0.717   92.857   91.837
LGA    V    63_A      V    63_A     0.725     0    0.040   0.058     0.829   90.476   90.476
LGA    V    64_A      V    64_A     0.742     0    0.044   0.143     0.981   90.476   90.476
LGA    F    65_A      F    65_A     0.449     0    0.038   0.129     0.763   97.619   93.074
LGA    F    66_A      F    66_A     0.470     0    0.023   0.056     0.564  100.000   96.537
LGA    R    67_A      R    67_A     0.431     0    0.032   0.330     1.766  100.000   89.913
LGA    V    68_A      V    68_A     0.166     0    0.037   1.216     2.614  100.000   87.483
LGA    T    69_A      T    69_A     0.347     0    0.025   0.099     0.462  100.000  100.000
LGA    D    70_A      D    70_A     0.541     0    0.070   0.187     1.110   90.476   89.345
LGA    N    71_A      N    71_A     0.516     0    0.216   1.184     4.556   88.214   75.536
LGA    V    72_A      V    72_A     0.388     0    0.025   0.032     0.421  100.000  100.000
LGA    I    73_A      I    73_A     0.362     0    0.010   0.581     1.244  100.000   96.488
LGA    V    74_A      V    74_A     0.341     0    0.020   0.065     0.576  100.000   98.639
LGA    I    75_A      I    75_A     0.469     0    0.017   0.035     0.712  100.000   95.238
LGA    L    76_A      L    76_A     0.595     0    0.035   0.050     0.922   90.476   91.667
LGA    L    77_A      L    77_A     0.536     0    0.056   0.052     0.713   90.476   94.048
LGA    T    78_A      T    78_A     0.758     0    0.020   0.033     1.222   85.952   87.891
LGA    N    79_A      N    79_A     1.604     0    0.039   1.208     6.136   77.143   57.381
LGA    E    80_A      E    80_A     0.751     0    0.048   0.521     2.464   85.952   78.836
LGA    K    81_A      K    81_A     1.222     0    0.052   0.967     6.954   85.952   66.032
LGA    E    82_A      E    82_A     1.030     0    0.011   0.158     1.194   85.952   85.450
LGA    N    83_A      N    83_A     1.123     0    0.013   0.294     2.062   83.690   81.607
LGA    I    84_A      I    84_A     0.639     0    0.051   0.686     3.088   90.476   87.798
LGA    I    85_A      I    85_A     0.635     0    0.012   0.042     0.712   90.476   90.476
LGA    L    86_A      L    86_A     0.967     0    0.058   0.091     1.186   90.476   89.345
LGA    S    87_A      S    87_A     0.994     0    0.016   0.032     1.070   85.952   85.952
LGA    M    88_A      M    88_A     0.872     0    0.027   0.614     1.961   90.476   87.143
LGA    F    89_A      F    89_A     0.795     0    0.023   0.091     0.843   90.476   90.476
LGA    E    90_A      E    90_A     0.886     0    0.037   0.517     3.178   90.476   81.005
LGA    L    91_A      L    91_A     0.737     0    0.029   1.418     3.241   90.476   79.048
LGA    F    92_A      F    92_A     0.409     0    0.017   0.097     0.581   97.619   99.134
LGA    S    93_A      S    93_A     0.317     0    0.033   0.085     0.559  100.000   98.413
LGA    T    94_A      T    94_A     0.483     0    0.038   0.091     0.691  100.000   95.918
LGA    Q    95_A      Q    95_A     0.501     0    0.041   0.946     4.013   95.238   83.069
LGA    F    96_A      F    96_A     0.302     0    0.038   0.061     0.427  100.000  100.000
LGA    A    97_A      A    97_A     0.260     0    0.030   0.034     0.701   95.238   96.190
LGA    E    98_A      E    98_A     0.801     0    0.036   0.741     3.687   88.214   77.513
LGA    K    99_A      K    99_A     1.024     0    0.049   0.227     1.137   85.952   83.439
LGA    L   100_A      L   100_A     0.610     0    0.028   0.033     1.014   88.214   94.107
LGA    A   101_A      A   101_A     1.285     0    0.036   0.041     1.723   77.143   78.000
LGA    L   102_A      L   102_A     1.678     0    0.053   0.056     2.080   72.976   72.917
LGA    E   103_A      E   103_A     1.516     0    0.019   0.755     1.840   75.000   76.667
LGA    Y   104_A      Y   104_A     1.415     0    0.056   0.066     1.632   77.143   83.016
LGA    P   105_A      P   105_A     2.233     0    0.022   0.037     2.520   66.786   64.830
LGA    R   106_A      R   106_A     2.804     0    0.077   1.225    10.476   51.905   33.290
LGA    T   107_A      T   107_A     3.207     0    0.162   0.215     3.899   48.452   55.510
LGA    Y   108_A      Y   108_A     5.518     0    0.663   1.017    12.201   25.119   12.063
LGA    E   109_A      E   109_A     8.203     0    0.640   1.140    17.222    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          1.752                  2.658           81.180   76.826

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  109    4.0    104    1.49    87.615    91.956     6.542

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 =   0.752323 * X  +   0.466304 * Y  +  -0.465371 * Z  +  29.009058
  Y_new =   0.652499 * X  +  -0.429997 * Y  +   0.623977 * Z  +  -0.423292
  Z_new =   0.090855 * X  +  -0.773087 * Y  +  -0.627760 * Z  +  29.398256 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.714459 -0.090981 -2.252822   [DEG:   40.9355   -5.2128 -129.0772 ]
ZXZ: -2.500776  2.249468  3.024606   [DEG: -143.2839  128.8850  173.2972 ]
 
# END of job
