
#######################################################
#                                                     #
#                        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       1.77     1.77
  LCS_AVERAGE:     98.17

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   107       3_A - 109_A       1.77     1.77
  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     1.91
  LONGEST_CONTINUOUS_SEGMENT:    58      51_A - 108_A       0.98     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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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     53   79   84   92   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      5   75   84   92   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     49   79   84   92   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     16   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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     62   79   84   92   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     51   79   84   92   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     63   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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     61   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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     14   53   83   92   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   28   80   92   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      6   14   70   92   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      4   16   72   92   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   48   81   99  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   39   79   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   26   69   92   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   40   70   84  101  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   44   77   98  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   30   79   92   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     11   50   82   92   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   63   92   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   52   84   92   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   49   89   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   16   20   59   96  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   41   71   92   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   52   80   89   92   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   24   80   89   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     33   79   84   92   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   79   84   92   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   79   84   92   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     62   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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     63   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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     13   71   83   92   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     53   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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     62   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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   79   84   92   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     55   79   84   92   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     50   79   84   92   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     63   79   84   92   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     36   79   84   92   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   84   92   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     22   79   84   92   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     38   79   84   92   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     23   74   84   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     17   58   84   89   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     12   60   84   89   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   52   80   89   92   96  101  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    9   11   16   25   91   94   96  100  104  105  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     79     84     92     96     99    102    104    105    106    106    106    107    107    107    107    107    107    107    107 
GDT PERCENT_AT  57.80  72.48  77.06  84.40  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   0.44   0.56   0.92   1.02   1.17   1.36   1.48   1.55   1.62   1.62   1.62   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77
GDT RMS_ALL_AT   1.87   1.86   1.85   1.81   1.79   1.79   1.79   1.81   1.79   1.78   1.78   1.78   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77

# 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     0.803     0    0.082   0.961     2.911   88.214   77.798
LGA    I     4_A      I     4_A     0.762     0    0.052   0.854     2.607   90.476   82.976
LGA    E     5_A      E     5_A     0.877     0    0.014   0.961     5.362   90.476   70.159
LGA    N     6_A      N     6_A     0.608     0    0.014   0.036     1.029   95.238   91.726
LGA    C     7_A      C     7_A     0.285     0    0.018   0.067     0.397  100.000  100.000
LGA    A     8_A      A     8_A     0.417     0    0.063   0.080     0.440  100.000  100.000
LGA    A     9_A      A     9_A     0.400     0    0.051   0.048     0.623  100.000   98.095
LGA    F    10_A      F    10_A     0.196     0    0.014   0.041     0.681  100.000   96.537
LGA    I    11_A      I    11_A     0.105     0    0.010   0.068     0.310  100.000  100.000
LGA    E    12_A      E    12_A     0.365     0    0.024   0.078     0.836   97.619   95.767
LGA    K    13_A      K    13_A     0.552     0    0.100   1.311     6.378   90.595   70.317
LGA    T    14_A      T    14_A     1.111     0    0.094   0.983     2.581   85.952   79.320
LGA    M    15_A      M    15_A     0.732     0    0.059   0.291     0.793   90.476   90.476
LGA    S    16_A      S    16_A     1.262     0    0.075   0.137     1.946   81.429   78.571
LGA    K    17_A      K    17_A     0.713     0    0.015   1.006     3.785   90.476   83.439
LGA    Y    18_A      Y    18_A     0.526     0    0.049   0.081     0.709   90.476   95.238
LGA    A    19_A      A    19_A     0.553     0    0.057   0.073     0.744   95.238   94.286
LGA    I    20_A      I    20_A     0.437     0    0.021   0.036     0.664   95.238   95.238
LGA    T    21_A      T    21_A     0.684     0    0.015   0.109     1.265   92.857   90.544
LGA    L    22_A      L    22_A     0.760     0    0.031   0.043     0.954   90.476   90.476
LGA    S    23_A      S    23_A     0.578     0    0.041   0.078     0.681   90.476   92.063
LGA    D    24_A      D    24_A     0.491     0    0.079   0.119     0.866   92.857   91.667
LGA    G    25_A      G    25_A     0.709     0    0.037   0.037     0.846   90.476   90.476
LGA    T    26_A      T    26_A     0.798     0    0.015   0.038     0.904   90.476   90.476
LGA    I    27_A      I    27_A     0.890     0    0.026   0.113     1.142   88.214   85.952
LGA    L    28_A      L    28_A     0.733     0    0.019   0.034     0.842   90.476   90.476
LGA    K    29_A      K    29_A     0.568     0    0.032   0.445     2.182   90.476   87.672
LGA    S    30_A      S    30_A     0.900     0    0.054   0.126     1.254   88.214   85.952
LGA    T    31_A      T    31_A     0.992     0    0.058   0.103     1.144   90.476   87.891
LGA    I    32_A      I    32_A     0.696     0    0.087   0.139     1.086   88.214   91.726
LGA    K    33_A      K    33_A     0.907     0    0.116   0.713     6.052   95.238   71.640
LGA    N    34_A      N    34_A     1.624     0    0.045   0.216     3.237   72.976   64.226
LGA    E    35_A      E    35_A     2.147     0    0.017   0.797     3.012   63.095   64.180
LGA    T    36_A      T    36_A     2.141     0    0.071   0.096     2.719   64.881   64.830
LGA    L    37_A      L    37_A     2.006     0    0.066   1.383     2.731   64.881   68.095
LGA    K    38_A      K    38_A     3.263     0    0.042   0.803     9.497   46.905   29.788
LGA    K    39_A      K    39_A     4.311     0    0.132   0.217     5.206   37.262   32.857
LGA    T    40_A      T    40_A     3.120     0    0.102   1.055     3.686   53.571   52.109
LGA    F    41_A      F    41_A     2.264     0    0.079   1.001     5.509   62.857   51.169
LGA    P    42_A      P    42_A     4.951     0    0.016   0.281     7.130   32.857   26.395
LGA    I    43_A      I    43_A     4.641     0    0.047   0.080     7.129   42.143   29.405
LGA    L    44_A      L    44_A     1.793     0    0.077   1.411     5.614   77.738   59.643
LGA    K    45_A      K    45_A     1.704     0    0.023   0.818     3.657   72.976   60.317
LGA    N    46_A      N    46_A     2.469     0    0.023   0.879     6.843   73.095   49.583
LGA    L    47_A      L    47_A     1.347     0    0.040   0.599     4.929   79.286   65.060
LGA    L    48_A      L    48_A     2.723     0    0.052   0.069     4.801   56.429   50.060
LGA    K    49_A      K    49_A     3.954     0    0.053   0.786     8.563   43.810   30.000
LGA    D    50_A      D    50_A     2.272     0    0.082   0.266     6.262   71.190   50.298
LGA    Q    51_A      Q    51_A     4.719     0    0.318   0.827    11.238   37.976   19.206
LGA    I    52_A      I    52_A     2.381     0    0.104   1.146     3.537   69.048   64.226
LGA    P    53_A      P    53_A     1.123     0    0.041   0.071     1.766   85.952   81.565
LGA    T    54_A      T    54_A     0.440     0    0.009   0.051     0.687   92.857   95.918
LGA    G    55_A      G    55_A     0.826     0    0.045   0.045     1.075   88.214   88.214
LGA    S    56_A      S    56_A     1.035     0    0.029   0.721     3.275   88.214   80.714
LGA    S    57_A      S    57_A     0.875     0    0.052   0.071     1.180   85.952   85.952
LGA    F    58_A      F    58_A     0.717     0    0.047   0.129     0.858   90.476   92.208
LGA    F    59_A      F    59_A     1.158     0    0.073   0.126     1.273   83.690   82.251
LGA    K    60_A      K    60_A     1.110     0    0.035   0.686     2.956   85.952   80.741
LGA    L    61_A      L    61_A     0.707     0    0.019   0.198     1.169   90.476   89.345
LGA    P    62_A      P    62_A     0.636     0    0.083   0.092     0.712   92.857   91.837
LGA    V    63_A      V    63_A     0.752     0    0.042   0.051     0.840   90.476   90.476
LGA    V    64_A      V    64_A     0.716     0    0.045   0.134     0.993   90.476   90.476
LGA    F    65_A      F    65_A     0.460     0    0.030   0.113     0.741  100.000   94.805
LGA    F    66_A      F    66_A     0.471     0    0.036   0.060     0.571   97.619   95.671
LGA    R    67_A      R    67_A     0.395     0    0.031   0.315     1.802  100.000   89.913
LGA    V    68_A      V    68_A     0.142     0    0.056   1.200     2.594  100.000   87.483
LGA    T    69_A      T    69_A     0.373     0    0.016   0.066     0.438  100.000  100.000
LGA    D    70_A      D    70_A     0.557     0    0.082   0.123     0.978   92.857   91.667
LGA    N    71_A      N    71_A     0.524     0    0.188   1.179     4.610   88.214   75.536
LGA    V    72_A      V    72_A     0.393     0    0.019   0.024     0.405  100.000  100.000
LGA    I    73_A      I    73_A     0.374     0    0.042   0.597     1.253  100.000   96.488
LGA    V    74_A      V    74_A     0.346     0    0.017   0.060     0.595  100.000   98.639
LGA    I    75_A      I    75_A     0.490     0    0.022   0.038     0.715   97.619   94.048
LGA    L    76_A      L    76_A     0.653     0    0.034   0.055     0.812   90.476   91.667
LGA    L    77_A      L    77_A     0.528     0    0.112   0.093     0.793   90.476   92.857
LGA    T    78_A      T    78_A     0.783     0    0.011   0.044     1.162   85.952   87.891
LGA    N    79_A      N    79_A     1.629     0    0.047   1.192     6.131   79.286   58.452
LGA    E    80_A      E    80_A     0.793     0    0.026   0.548     2.561   85.952   77.090
LGA    K    81_A      K    81_A     1.256     0    0.051   0.963     6.928   85.952   66.032
LGA    E    82_A      E    82_A     0.996     0    0.022   0.158     1.132   88.214   86.455
LGA    N    83_A      N    83_A     1.100     0    0.011   0.273     2.000   83.690   82.619
LGA    I    84_A      I    84_A     0.629     0    0.042   0.683     3.096   90.476   87.798
LGA    I    85_A      I    85_A     0.633     0    0.010   0.034     0.736   90.476   90.476
LGA    L    86_A      L    86_A     0.966     0    0.069   0.092     1.156   90.476   89.345
LGA    S    87_A      S    87_A     0.992     0    0.012   0.034     1.067   90.476   88.968
LGA    M    88_A      M    88_A     0.839     0    0.024   0.575     1.743   90.476   87.143
LGA    F    89_A      F    89_A     0.812     0    0.024   0.085     0.844   90.476   90.476
LGA    E    90_A      E    90_A     0.939     0    0.031   0.525     3.189   90.476   81.005
LGA    L    91_A      L    91_A     0.770     0    0.025   1.410     3.213   90.476   79.048
LGA    F    92_A      F    92_A     0.389     0    0.010   0.086     0.562   97.619   99.134
LGA    S    93_A      S    93_A     0.311     0    0.056   0.091     0.572  100.000   98.413
LGA    T    94_A      T    94_A     0.469     0    0.042   0.114     0.632  100.000   95.918
LGA    Q    95_A      Q    95_A     0.503     0    0.026   0.929     3.990   95.238   83.757
LGA    F    96_A      F    96_A     0.318     0    0.038   0.081     0.400  100.000  100.000
LGA    A    97_A      A    97_A     0.269     0    0.039   0.043     0.602   97.619   98.095
LGA    E    98_A      E    98_A     0.764     0    0.047   0.733     3.702   88.214   77.513
LGA    K    99_A      K    99_A     0.960     0    0.029   0.218     1.137   88.214   86.455
LGA    L   100_A      L   100_A     0.599     0    0.020   0.025     1.000   90.476   95.238
LGA    A   101_A      A   101_A     1.265     0    0.022   0.034     1.701   81.548   81.524
LGA    L   102_A      L   102_A     1.648     0    0.044   0.061     2.064   72.976   72.917
LGA    E   103_A      E   103_A     1.555     0    0.015   0.770     1.955   75.000   77.619
LGA    Y   104_A      Y   104_A     1.477     0    0.079   0.070     1.711   77.143   83.770
LGA    P   105_A      P   105_A     2.230     0    0.035   0.040     2.522   66.786   64.830
LGA    R   106_A      R   106_A     2.828     0    0.054   1.222    10.437   51.905   33.290
LGA    T   107_A      T   107_A     3.222     0    0.123   0.183     3.897   48.452   56.599
LGA    Y   108_A      Y   108_A     5.463     0    0.578   1.032    12.143   26.310   12.460
LGA    E   109_A      E   109_A     8.217     0    0.128   1.061    17.110    8.095    3.598

# 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):     1.774          1.727                  2.646           81.698   77.163

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  109    4.0    104    1.48    87.615    91.880     6.562

LGA_LOCAL      RMSD:   1.485  Number of atoms:  104  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.806  Number of assigned atoms:  107 
Std_ASGN_ATOMS RMSD:   1.774  Standard rmsd on all 107 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.752089 * X  +   0.466360 * Y  +  -0.465694 * Z  +  29.015469
  Y_new =   0.652806 * X  +  -0.430015 * Y  +   0.623643 * Z  +  -0.408198
  Z_new =   0.090587 * X  +  -0.773043 * Y  +  -0.627852 * Z  +  29.402927 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.714847 -0.090711 -2.252921   [DEG:   40.9577   -5.1974 -129.0829 ]
ZXZ: -2.500187  2.249587  3.024943   [DEG: -143.2501  128.8918  173.3165 ]
 
# END of job
