
#######################################################
#                                                     #
#                        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  138 ( 1163),  selected  106 , name one
# Molecule2: number of CA atoms  106 (  891),  selected  106 , 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:   106      12_A - 117_A       3.83     3.83
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    92      16_A - 107_A       1.90     4.45
  LONGEST_CONTINUOUS_SEGMENT:    92      17_A - 108_A       1.95     4.31
  LCS_AVERAGE:     79.32

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    43      60_A - 102_A       0.99     4.89
  LCS_AVERAGE:     33.37

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  106
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     Q    12_A     Q    12_A      4    4  106      3    4    6   10   19   36   48   64   80   87   90   90   91   91   93   94   94   96   98   98 
LCS_GDT     D    13_A     D    13_A      4    5  106      3    4    6   10   11   19   31   46   68   82   90   90   91   91   93   94   94   94   98  102 
LCS_GDT     P    14_A     P    14_A      4   91  106      3    4    6   10   38   45   55   83   85   88   90   91   91   93   97   99  101  101  103  103 
LCS_GDT     G    15_A     G    15_A      4   91  106      3    4    4    4    6    6    9   15   34   82   90   90   91   91   93   94   95   96  101  102 
LCS_GDT     I    16_A     I    16_A      4   92  106      3    3   11   34   68   83   85   86   87   88   90   95   97  100  101  102  102  102  103  103 
LCS_GDT     N    17_A     N    17_A     41   92  106     21   65   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     R    18_A     R    18_A     41   92  106     22   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     K    19_A     K    19_A     41   92  106      3   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     A    20_A     A    20_A     41   92  106     30   65   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     I    21_A     I    21_A     41   92  106     31   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     N    22_A     N    22_A     41   92  106     30   65   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     F    23_A     F    23_A     41   92  106      4   23   69   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     D    24_A     D    24_A     41   92  106      4   51   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     L    25_A     L    25_A     41   92  106     11   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     S    26_A     S    26_A     41   92  106     19   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     T    27_A     T    27_A     41   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     K    28_A     K    28_A     41   92  106      4   56   80   82   83   86   87   91   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     S    29_A     S    29_A     41   92  106     30   66   80   82   83   86   87   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     L    30_A     L    30_A     41   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     E    31_A     E    31_A     41   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     K    32_A     K    32_A     41   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     Y    33_A     Y    33_A     41   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     F    34_A     F    34_A     41   92  106      3   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     K    35_A     K    35_A     41   92  106     16   39   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     D    36_A     D    36_A     41   92  106      5   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     T    37_A     T    37_A     41   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     R    38_A     R    38_A     41   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     E    39_A     E    39_A     41   92  106     31   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     P    40_A     P    40_A     41   92  106     32   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     Y    41_A     Y    41_A     41   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     S    42_A     S    42_A     41   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     L    43_A     L    43_A     41   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     I    44_A     I    44_A     41   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     K    45_A     K    45_A     41   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     K    46_A     K    46_A     41   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     F    47_A     F    47_A     41   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     M    48_A     M    48_A     41   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     L    49_A     L    49_A     41   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     E    50_A     E    50_A     41   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     N    51_A     N    51_A     41   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     G    52_A     G    52_A     41   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     F    53_A     F    53_A     41   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     E    54_A     E    54_A     41   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     H    55_A     H    55_A     41   92  106     27   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     R    56_A     R    56_A     41   92  106     21   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     Q    57_A     Q    57_A     41   92  106      3   10   43   79   83   84   85   87   88   90   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     Y    58_A     Y    58_A      7   92  106      3    8   20   33   52   77   85   86   87   89   90   92   97  101  101  102  102  102  103  103 
LCS_GDT     S    59_A     S    59_A     38   92  106      3    8   22   38   67   83   85   86   88   92   95   98   98  101  101  102  102  102  103  103 
LCS_GDT     G    60_A     G    60_A     43   92  106     21   56   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     Y    61_A     Y    61_A     43   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     T    62_A     T    62_A     43   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     S    63_A     S    63_A     43   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     K    64_A     K    64_A     43   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     E    65_A     E    65_A     43   92  106     31   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     P    66_A     P    66_A     43   92  106     31   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     I    67_A     I    67_A     43   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     N    68_A     N    68_A     43   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     E    69_A     E    69_A     43   92  106     20   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     R    70_A     R    70_A     43   92  106     15   65   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     R    71_A     R    71_A     43   92  106     15   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     V    72_A     V    72_A     43   92  106     15   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     I    73_A     I    73_A     43   92  106     15   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     R    74_A     R    74_A     43   92  106     15   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     I    75_A     I    75_A     43   92  106     15   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     I    76_A     I    76_A     43   92  106     15   63   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     N    77_A     N    77_A     43   92  106     15   39   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     K    78_A     K    78_A     43   92  106     15   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     L    79_A     L    79_A     43   92  106     15   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     T    80_A     T    80_A     43   92  106      9   63   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     K    81_A     K    81_A     43   92  106     20   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     K    82_A     K    82_A     43   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     F    83_A     F    83_A     43   92  106     30   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     T    84_A     T    84_A     43   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     W    85_A     W    85_A     43   92  106     30   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     L    86_A     L    86_A     43   92  106     23   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     G    87_A     G    87_A     43   92  106      5   64   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     E    88_A     E    88_A     43   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     C    89_A     C    89_A     43   92  106     10   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     V    90_A     V    90_A     43   92  106     11   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     K    91_A     K    91_A     43   92  106     20   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     E    92_A     E    92_A     43   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     F    93_A     F    93_A     43   92  106      4   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     D    94_A     D    94_A     43   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     I    95_A     I    95_A     43   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     T    96_A     T    96_A     43   92  106     34   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     E    97_A     E    97_A     43   92  106      4   62   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     I    98_A     I    98_A     43   92  106     11   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     G    99_A     G    99_A     43   92  106     13   66   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     E   100_A     E   100_A     43   92  106     18   65   80   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     Q   101_A     Q   101_A     43   92  106     15   43   79   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     Y   102_A     Y   102_A     43   92  106      4   14   60   82   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     S   103_A     S   103_A     12   92  106      3   15   28   64   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     L   104_A     L   104_A     12   92  106      8   13   35   67   83   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     K   105_A     K   105_A     12   92  106      8   15   24   50   79   86   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     E   106_A     E   106_A     12   92  106      8   10   16   40   67   85   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     T   107_A     T   107_A     12   92  106      8   10   17   40   62   83   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     I   108_A     I   108_A     12   92  106      8   10   17   33   51   73   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     Q   109_A     Q   109_A     12   20  106      8   10   17   33   50   73   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     D   110_A     D   110_A     12   20  106      8   10   16   27   40   66   84   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     L   111_A     L   111_A     12   20  106      8   10   15   27   40   54   72   90   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     C   112_A     C   112_A     12   20  106      8   10   15   27   40   50   72   86   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     A   113_A     A   113_A     12   20  106      3   10   11   26   34   46   67   84   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     K   114_A     K   114_A     11   20  106      3    4    4   11   13   17   36   43   53   84   94   96   98  101  101  102  102  102  103  103 
LCS_GDT     D   115_A     D   115_A      4   20  106      3    4    4   21   47   73   89   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     F   116_A     F   116_A      4   20  106      3    4   12   33   50   71   88   92   93   96   96   98   98  101  101  102  102  102  103  103 
LCS_GDT     H   117_A     H   117_A      3    5  106      3    3    4    4    5   12   16   18   25   47   55   83   94  101  101  102  102  102  103  103 
LCS_AVERAGE  LCS_A:  70.89  (  33.37   79.32  100.00 )

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     34     66     80     82     83     86     89     92     93     96     96     98     98    101    101    102    102    102    103    103 
GDT PERCENT_AT  32.08  62.26  75.47  77.36  78.30  81.13  83.96  86.79  87.74  90.57  90.57  92.45  92.45  95.28  95.28  96.23  96.23  96.23  97.17  97.17
GDT RMS_LOCAL    0.33   0.65   0.80   0.85   0.91   1.30   2.01   2.23   2.25   2.54   2.54   2.64   2.64   3.04   3.04   3.11   3.11   3.11   3.25   3.25
GDT RMS_ALL_AT   5.32   5.24   5.19   5.12   5.16   4.63   4.03   3.93   3.94   3.89   3.89   3.90   3.90   3.91   3.91   3.90   3.90   3.90   3.87   3.87

# Checking swapping
#   possible swapping detected:  F    23_A      F    23_A
#   possible swapping detected:  F    34_A      F    34_A
#   possible swapping detected:  D    36_A      D    36_A
#   possible swapping detected:  Y    41_A      Y    41_A
#   possible swapping detected:  F    47_A      F    47_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  Y    58_A      Y    58_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  F    83_A      F    83_A
#   possible swapping detected:  E    88_A      E    88_A
#   possible swapping detected:  E    92_A      E    92_A
#   possible swapping detected:  F    93_A      F    93_A
#   possible swapping detected:  E   100_A      E   100_A
#   possible swapping detected:  F   116_A      F   116_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    12_A      Q    12_A    13.268     0    0.386   0.582    17.097    0.000    0.000
LGA    D    13_A      D    13_A    12.838     0    0.053   0.955    15.005    0.000    0.000
LGA    P    14_A      P    14_A     9.539     0    0.647   0.578    10.890    1.429    1.224
LGA    G    15_A      G    15_A    11.211     0    0.261   0.261    11.211    1.071    1.071
LGA    I    16_A      I    16_A     6.827     0    0.608   0.578    10.596   22.262   13.690
LGA    N    17_A      N    17_A     1.114     0    0.515   1.050     3.488   69.286   62.381
LGA    R    18_A      R    18_A     2.178     0    0.178   1.434     4.174   64.881   59.913
LGA    K    19_A      K    19_A     1.453     0    0.074   0.686     2.817   79.286   75.979
LGA    A    20_A      A    20_A     0.937     0    0.064   0.082     0.995   90.476   90.476
LGA    I    21_A      I    21_A     1.074     0    0.055   0.078     1.562   79.286   87.262
LGA    N    22_A      N    22_A     1.881     0    0.134   0.357     3.643   72.857   62.381
LGA    F    23_A      F    23_A     2.222     0    0.287   0.956     5.834   63.095   49.264
LGA    D    24_A      D    24_A     2.056     0    0.123   0.782     3.402   68.810   62.143
LGA    L    25_A      L    25_A     1.668     0    0.056   0.206     2.429   72.857   73.988
LGA    S    26_A      S    26_A     1.937     0    0.035   0.044     2.208   68.810   68.810
LGA    T    27_A      T    27_A     2.681     0    0.066   0.112     3.843   57.262   53.197
LGA    K    28_A      K    28_A     3.533     0    0.634   1.074     7.900   45.119   35.185
LGA    S    29_A      S    29_A     3.109     0    0.027   0.082     4.145   57.381   52.778
LGA    L    30_A      L    30_A     1.870     0    0.072   0.094     2.254   70.833   72.917
LGA    E    31_A      E    31_A     2.000     0    0.113   0.200     2.993   64.762   62.222
LGA    K    32_A      K    32_A     2.121     0    0.029   0.308     2.380   64.762   64.762
LGA    Y    33_A      Y    33_A     1.718     0    0.037   0.221     3.017   77.143   66.429
LGA    F    34_A      F    34_A     1.460     0    0.665   0.465     2.773   71.071   67.879
LGA    K    35_A      K    35_A     2.286     0    0.081   0.996     7.089   64.762   50.476
LGA    D    36_A      D    36_A     1.941     0    0.613   1.160     4.707   58.571   64.821
LGA    T    37_A      T    37_A     1.642     0    0.270   0.281     3.072   72.857   65.102
LGA    R    38_A      R    38_A     1.510     0    0.023   1.241     4.370   77.143   68.701
LGA    E    39_A      E    39_A     1.220     0    0.026   0.087     1.805   83.690   79.577
LGA    P    40_A      P    40_A     0.886     0    0.084   0.121     1.099   85.952   85.306
LGA    Y    41_A      Y    41_A     0.946     0    0.092   0.249     1.832   90.476   81.587
LGA    S    42_A      S    42_A     0.837     0    0.020   0.620     2.769   90.476   84.921
LGA    L    43_A      L    43_A     0.522     0    0.011   0.171     0.882   90.476   94.048
LGA    I    44_A      I    44_A     0.671     0    0.015   0.109     0.844   90.476   90.476
LGA    K    45_A      K    45_A     1.192     0    0.029   0.091     2.357   83.690   76.825
LGA    K    46_A      K    46_A     1.303     0    0.042   0.401     2.769   79.286   74.921
LGA    F    47_A      F    47_A     0.965     0    0.053   0.090     1.165   83.690   87.186
LGA    M    48_A      M    48_A     1.003     0    0.034   0.069     1.491   83.690   85.952
LGA    L    49_A      L    49_A     1.719     0    0.063   0.521     2.328   75.000   72.917
LGA    E    50_A      E    50_A     1.768     0    0.071   0.133     2.196   70.833   72.910
LGA    N    51_A      N    51_A     1.585     0    0.084   0.083     1.694   75.000   77.143
LGA    G    52_A      G    52_A     2.201     0    0.040   0.040     2.201   66.786   66.786
LGA    F    53_A      F    53_A     1.838     0    0.127   0.228     2.838   66.905   80.346
LGA    E    54_A      E    54_A     2.423     0    0.099   0.799     5.922   64.762   50.635
LGA    H    55_A      H    55_A     2.425     0    0.630   0.669     5.393   51.429   61.048
LGA    R    56_A      R    56_A     1.841     0    0.642   1.158     3.294   68.810   72.511
LGA    Q    57_A      Q    57_A     4.997     0    0.380   1.191     9.587   29.048   17.407
LGA    Y    58_A      Y    58_A     6.486     0    0.120   1.195    12.217   18.214    8.135
LGA    S    59_A      S    59_A     5.521     0    0.661   0.829     6.757   20.595   20.873
LGA    G    60_A      G    60_A     2.550     0    0.063   0.063     3.075   57.262   57.262
LGA    Y    61_A      Y    61_A     1.630     0    0.077   0.195     2.818   75.000   70.952
LGA    T    62_A      T    62_A     1.709     0    0.071   0.117     2.468   72.857   69.388
LGA    S    63_A      S    63_A     1.648     0    0.005   0.583     2.115   70.833   74.365
LGA    K    64_A      K    64_A     2.412     0    0.037   0.786     5.715   64.762   53.122
LGA    E    65_A      E    65_A     1.917     0    0.035   1.138     5.006   70.833   59.841
LGA    P    66_A      P    66_A     1.767     0    0.035   0.329     1.939   72.857   74.082
LGA    I    67_A      I    67_A     1.751     0    0.049   0.166     2.319   75.000   72.917
LGA    N    68_A      N    68_A     1.186     0    0.109   0.768     3.110   81.429   74.345
LGA    E    69_A      E    69_A     1.577     0    0.008   1.016     2.859   72.857   68.413
LGA    R    70_A      R    70_A     1.712     0    0.090   1.535     7.350   72.857   52.684
LGA    R    71_A      R    71_A     2.042     0    0.055   1.119     5.843   70.833   56.407
LGA    V    72_A      V    72_A     1.734     0    0.033   0.113     1.803   72.857   72.857
LGA    I    73_A      I    73_A     1.244     0    0.105   1.521     3.901   79.286   70.476
LGA    R    74_A      R    74_A     1.585     0    0.023   1.425     6.183   72.857   59.048
LGA    I    75_A      I    75_A     1.598     0    0.046   0.093     1.598   75.000   73.929
LGA    I    76_A      I    76_A     1.414     0    0.035   0.658     2.111   79.286   79.405
LGA    N    77_A      N    77_A     1.441     0    0.043   1.327     4.762   81.429   67.381
LGA    K    78_A      K    78_A     1.334     0    0.039   0.643     3.130   81.429   73.333
LGA    L    79_A      L    79_A     1.250     0    0.050   0.095     1.327   81.429   81.429
LGA    T    80_A      T    80_A     1.288     0    0.060   1.152     2.988   79.286   73.265
LGA    K    81_A      K    81_A     1.483     0    0.021   0.297     2.589   77.143   71.217
LGA    K    82_A      K    82_A     1.546     0    0.022   0.581     3.310   75.000   73.175
LGA    F    83_A      F    83_A     1.497     0    0.009   0.148     1.550   77.143   81.515
LGA    T    84_A      T    84_A     1.828     0    0.033   0.123     2.405   72.857   70.544
LGA    W    85_A      W    85_A     1.929     0    0.144   1.171     8.072   70.833   42.041
LGA    L    86_A      L    86_A     1.542     0    0.066   1.314     3.419   70.833   65.238
LGA    G    87_A      G    87_A     2.750     0    0.065   0.065     3.235   57.262   57.262
LGA    E    88_A      E    88_A     2.048     0    0.024   1.064     5.215   64.762   50.635
LGA    C    89_A      C    89_A     2.223     0    0.051   0.060     2.313   64.762   64.762
LGA    V    90_A      V    90_A     1.871     0    0.012   1.113     3.922   64.881   64.082
LGA    K    91_A      K    91_A     2.602     0    0.055   0.737     3.814   57.262   57.460
LGA    E    92_A      E    92_A     2.265     0    0.055   1.099     4.467   68.810   55.661
LGA    F    93_A      F    93_A     1.815     0    0.071   0.541     2.868   70.833   67.100
LGA    D    94_A      D    94_A     1.653     0    0.048   0.336     2.509   75.000   71.964
LGA    I    95_A      I    95_A     1.209     0    0.029   0.608     2.732   81.429   81.786
LGA    T    96_A      T    96_A     1.397     0    0.147   0.290     2.274   81.429   76.599
LGA    E    97_A      E    97_A     2.296     0    0.078   0.817     4.030   62.857   60.000
LGA    I    98_A      I    98_A     2.607     0    0.047   0.726     3.015   59.048   57.202
LGA    G    99_A      G    99_A     2.608     0    0.088   0.088     2.619   60.952   60.952
LGA    E   100_A      E   100_A     2.015     0    0.039   0.612     3.689   66.786   60.159
LGA    Q   101_A      Q   101_A     1.747     0    0.205   1.027     3.337   72.857   74.180
LGA    Y   102_A      Y   102_A     1.243     0    0.064   1.241     8.532   79.286   49.127
LGA    S   103_A      S   103_A     1.956     0    0.288   0.658     3.400   72.857   66.429
LGA    L   104_A      L   104_A     1.764     0    0.243   1.370     3.227   66.905   65.119
LGA    K   105_A      K   105_A     2.471     0    0.109   1.114     6.214   57.500   50.265
LGA    E   106_A      E   106_A     3.468     0    0.020   1.420     9.164   45.476   31.270
LGA    T   107_A      T   107_A     3.808     0    0.027   0.170     4.961   40.476   44.558
LGA    I   108_A      I   108_A     4.735     0    0.024   0.108     5.971   29.048   31.012
LGA    Q   109_A      Q   109_A     5.199     0    0.021   0.994     6.397   24.048   33.545
LGA    D   110_A      D   110_A     6.183     0    0.009   0.784     7.256   15.476   17.500
LGA    L   111_A      L   111_A     6.958     0    0.019   0.086     7.894   11.905   13.571
LGA    C   112_A      C   112_A     7.583     0    0.414   0.419     8.411    7.262    8.254
LGA    A   113_A      A   113_A     8.414     0    0.091   0.097     9.687    3.452    3.714
LGA    K   114_A      K   114_A    11.275     0    0.533   0.952    21.189    0.357    0.159
LGA    D   115_A      D   115_A     5.288     0    0.566   1.248     6.992   20.714   36.488
LGA    F   116_A      F   116_A     6.241     0    0.347   1.164    10.372   11.548   27.922
LGA    H   117_A      H   117_A    12.757     0    0.542   0.543    14.391    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      106     424    424  100.00     891    891  100.00               106
SUMMARY(RMSD_GDC):     3.829          3.827                  4.310           61.365   58.037

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  138  106    4.0     92    2.23    80.660    81.973     3.944

LGA_LOCAL      RMSD:   2.232  Number of atoms:   92  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.933  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   3.829  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.980532 * X  +  -0.189012 * Y  +   0.053211 * Z  + -17.363611
  Y_new =   0.141399 * X  +  -0.867696 * Y  +  -0.476560 * Z  + -36.356781
  Z_new =   0.136247 * X  +  -0.459759 * Y  +   0.877530 * Z  +  13.612716 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.998374 -0.136672 -0.482603   [DEG:  171.7941   -7.8307  -27.6511 ]
ZXZ:  0.111196  0.500110  2.853493   [DEG:    6.3711   28.6542  163.4931 ]
 
# END of job
