
#######################################################
#                                                     #
#                        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       4.06     4.06
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    91      14_A - 104_A       1.98     4.63
  LONGEST_CONTINUOUS_SEGMENT:    91      15_A - 105_A       2.00     4.59
  LCS_AVERAGE:     78.41

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38      19_A - 56_A        0.99     4.72
  LCS_AVERAGE:     23.56

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      5   58  106      4    7   13   18   32   71   78   89   94   96   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     D    13_A     D    13_A      5   60  106      3    7   11   14   21   32   53   81   90   96   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     P    14_A     P    14_A      5   91  106      4    7   31   62   72   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     G    15_A     G    15_A      5   91  106      4   25   58   65   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     I    16_A     I    16_A      5   91  106      4    4    7   30   70   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     N    17_A     N    17_A     21   91  106      3    8   57   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     R    18_A     R    18_A     21   91  106      3   16   57   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     K    19_A     K    19_A     38   91  106     19   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     A    20_A     A    20_A     38   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     I    21_A     I    21_A     38   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     N    22_A     N    22_A     38   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     F    23_A     F    23_A     38   91  106     15   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     D    24_A     D    24_A     38   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     L    25_A     L    25_A     38   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     S    26_A     S    26_A     38   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     T    27_A     T    27_A     38   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     K    28_A     K    28_A     38   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     S    29_A     S    29_A     38   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     L    30_A     L    30_A     38   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     E    31_A     E    31_A     38   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     K    32_A     K    32_A     38   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     Y    33_A     Y    33_A     38   91  106      7   30   55   65   73   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     F    34_A     F    34_A     38   91  106      4    4   36   65   73   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     K    35_A     K    35_A     38   91  106      3    4   38   65   73   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     D    36_A     D    36_A     38   91  106     12   46   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     T    37_A     T    37_A     38   91  106     21   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     R    38_A     R    38_A     38   91  106     12   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     E    39_A     E    39_A     38   91  106     12   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     P    40_A     P    40_A     38   91  106     15   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     Y    41_A     Y    41_A     38   91  106     15   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     S    42_A     S    42_A     38   91  106     15   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     L    43_A     L    43_A     38   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     I    44_A     I    44_A     38   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     K    45_A     K    45_A     38   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     K    46_A     K    46_A     38   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     F    47_A     F    47_A     38   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     M    48_A     M    48_A     38   91  106     22   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     L    49_A     L    49_A     38   91  106     22   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     E    50_A     E    50_A     38   91  106     19   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     N    51_A     N    51_A     38   91  106     17   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     G    52_A     G    52_A     38   91  106     11   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     F    53_A     F    53_A     38   91  106     17   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     E    54_A     E    54_A     38   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     H    55_A     H    55_A     38   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     R    56_A     R    56_A     38   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     Q    57_A     Q    57_A     30   91  106      3   22   53   64   72   79   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     Y    58_A     Y    58_A     30   91  106      3    4   33   53   71   79   86   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     S    59_A     S    59_A     30   91  106      3    4   33   52   71   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     G    60_A     G    60_A     30   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     Y    61_A     Y    61_A     30   91  106     17   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     T    62_A     T    62_A     30   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     S    63_A     S    63_A     30   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     K    64_A     K    64_A     30   91  106      3    3   34   64   73   79   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     E    65_A     E    65_A     30   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     P    66_A     P    66_A     30   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     I    67_A     I    67_A      3   91  106      3    5   12   18   39   69   85   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     N    68_A     N    68_A     17   91  106      4   15   19   62   70   80   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     E    69_A     E    69_A     17   91  106     13   15   16   18   25   34   40   82   90   96   98  100  101  101  102  103  104  104  104  104 
LCS_GDT     R    70_A     R    70_A     17   91  106     13   15   16   18   53   74   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     R    71_A     R    71_A     17   91  106     19   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     V    72_A     V    72_A     17   91  106     13   15   27   57   70   80   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     I    73_A     I    73_A     17   91  106     13   15   16   18   47   71   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     R    74_A     R    74_A     17   91  106     13   15   25   62   73   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     I    75_A     I    75_A     17   91  106     13   25   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     I    76_A     I    76_A     17   91  106     13   20   38   59   72   80   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     N    77_A     N    77_A     17   91  106     13   15   16   18   55   78   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     K    78_A     K    78_A     17   91  106     13   15   42   65   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     L    79_A     L    79_A     17   91  106     13   31   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     T    80_A     T    80_A     17   91  106     13   15   31   64   73   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     K    81_A     K    81_A     17   91  106     12   15   16   18   48   78   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     K    82_A     K    82_A     17   91  106     13   16   34   65   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     F    83_A     F    83_A     19   91  106      9   50   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     T    84_A     T    84_A     19   91  106      4   24   57   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     W    85_A     W    85_A     19   91  106     10   43   58   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     L    86_A     L    86_A     19   91  106     10   34   58   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     G    87_A     G    87_A     19   91  106     15   34   58   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     E    88_A     E    88_A     20   91  106     15   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     C    89_A     C    89_A     20   91  106     15   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     V    90_A     V    90_A     20   91  106     18   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     K    91_A     K    91_A     20   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     E    92_A     E    92_A     20   91  106     15   47   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     F    93_A     F    93_A     20   91  106     15   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     D    94_A     D    94_A     20   91  106     15   51   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     I    95_A     I    95_A     20   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     T    96_A     T    96_A     20   91  106     23   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     E    97_A     E    97_A     20   91  106     12   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     I    98_A     I    98_A     20   91  106     13   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     G    99_A     G    99_A     20   91  106      9   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     E   100_A     E   100_A     20   91  106      6   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     Q   101_A     Q   101_A     20   91  106     11   53   59   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     Y   102_A     Y   102_A     20   91  106      4   21   57   66   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     S   103_A     S   103_A     20   91  106      4   21   34   65   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     L   104_A     L   104_A     20   91  106      3   21   32   65   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     K   105_A     K   105_A     20   91  106      3   20   29   58   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     E   106_A     E   106_A     20   88  106      7   21   30   57   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     T   107_A     T   107_A     20   35  106      7   21   31   62   74   81   87   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     I   108_A     I   108_A     19   35  106      7    8   18   31   58   78   86   93   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     Q   109_A     Q   109_A     10   32  106      7    8   11   23   34   55   80   91   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     D   110_A     D   110_A     10   30  106      7    8   13   23   39   60   85   92   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     L   111_A     L   111_A     10   29  106      7    8   13   23   34   49   75   91   97   97   99  100  101  101  102  103  104  104  104  104 
LCS_GDT     C   112_A     C   112_A     10   24  106      7    8   10   11   15   19   31   43   60   75   98  100  101  101  102  103  104  104  104  104 
LCS_GDT     A   113_A     A   113_A      8   15  106      3    4    6   10   10   12   14   26   31   38   58   63   73  100  102  103  104  104  104  104 
LCS_GDT     K   114_A     K   114_A      4   12  106      3    4    4    4    5    5   13   17   31   44   56   69   89  101  102  103  104  104  104  104 
LCS_GDT     D   115_A     D   115_A      4   10  106      3    3    4    4    5   12   14   17   26   28   39   41   70   79   83  103  104  104  104  104 
LCS_GDT     F   116_A     F   116_A      4    5  106      3    3    4    4    5    5    6    9   10   13   19   22   33   35   39   40   43   46   57   71 
LCS_GDT     H   117_A     H   117_A      4    5  106      3    3    4    4    5    5    6    6    8   10   11   13   14   14   19   26   32   34   40   52 
LCS_AVERAGE  LCS_A:  67.32  (  23.56   78.41  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     23     53     59     66     74     81     87     93     97     97     99    100    101    101    102    103    104    104    104    104 
GDT PERCENT_AT  21.70  50.00  55.66  62.26  69.81  76.42  82.08  87.74  91.51  91.51  93.40  94.34  95.28  95.28  96.23  97.17  98.11  98.11  98.11  98.11
GDT RMS_LOCAL    0.36   0.65   0.77   0.96   1.39   1.57   1.76   1.97   2.23   2.23   2.36   2.48   2.55   2.55   2.93   2.98   3.21   3.21   3.21   3.21
GDT RMS_ALL_AT   5.12   4.91   4.86   4.91   4.54   4.48   4.51   4.49   4.32   4.32   4.31   4.27   4.27   4.27   4.17   4.17   4.13   4.13   4.13   4.13

# Checking swapping
#   possible swapping detected:  F    23_A      F    23_A
#   possible swapping detected:  Y    41_A      Y    41_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  F    83_A      F    83_A
#   possible swapping detected:  F    93_A      F    93_A
#   possible swapping detected:  E    97_A      E    97_A
#   possible swapping detected:  Y   102_A      Y   102_A
#   possible swapping detected:  D   115_A      D   115_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    12_A      Q    12_A     5.560     0    0.401   0.917    13.455   26.310   12.381
LGA    D    13_A      D    13_A     6.444     0    0.182   1.040     7.822   24.286   17.321
LGA    P    14_A      P    14_A     3.166     0    0.659   0.610     4.896   45.357   42.857
LGA    G    15_A      G    15_A     1.857     0    0.161   0.161     2.514   66.905   66.905
LGA    I    16_A      I    16_A     3.143     0    0.118   1.205     9.108   59.286   36.667
LGA    N    17_A      N    17_A     2.384     0    0.076   1.378     6.998   64.881   45.952
LGA    R    18_A      R    18_A     2.284     0    0.123   1.398     5.295   64.881   50.433
LGA    K    19_A      K    19_A     0.873     0    0.086   0.961     4.296   88.214   80.582
LGA    A    20_A      A    20_A     0.831     0    0.068   0.070     0.969   90.476   90.476
LGA    I    21_A      I    21_A     0.572     0    0.015   1.042     2.204   90.476   83.036
LGA    N    22_A      N    22_A     0.818     0    0.023   1.048     5.200   88.214   70.357
LGA    F    23_A      F    23_A     0.957     0    0.035   0.265     1.518   90.476   88.095
LGA    D    24_A      D    24_A     0.777     0    0.009   0.305     1.363   90.476   85.952
LGA    L    25_A      L    25_A     0.148     0    0.031   0.054     0.591  100.000   97.619
LGA    S    26_A      S    26_A     0.376     0    0.052   0.516     1.531   97.619   93.889
LGA    T    27_A      T    27_A     0.773     0    0.033   1.078     3.201   90.476   82.177
LGA    K    28_A      K    28_A     0.770     0    0.029   0.984     4.691   90.476   74.550
LGA    S    29_A      S    29_A     0.658     0    0.048   0.744     2.433   88.214   84.683
LGA    L    30_A      L    30_A     0.475     0    0.067   1.367     3.438   97.619   84.762
LGA    E    31_A      E    31_A     0.791     0    0.135   0.332     1.828   90.476   88.519
LGA    K    32_A      K    32_A     1.101     0    0.143   1.262    10.074   85.952   54.286
LGA    Y    33_A      Y    33_A     1.770     0    0.150   0.324     3.175   75.000   65.675
LGA    F    34_A      F    34_A     2.534     0    0.569   1.388     4.163   54.048   64.632
LGA    K    35_A      K    35_A     2.477     0    0.480   0.801     5.876   59.167   48.730
LGA    D    36_A      D    36_A     0.848     0    0.140   0.947     4.564   90.595   72.202
LGA    T    37_A      T    37_A     0.740     0    0.205   1.179     3.992   90.595   80.000
LGA    R    38_A      R    38_A     1.079     0    0.099   1.403     7.666   85.952   57.749
LGA    E    39_A      E    39_A     1.256     0    0.043   0.686     4.128   81.429   68.783
LGA    P    40_A      P    40_A     1.375     0    0.060   0.138     1.375   81.429   81.429
LGA    Y    41_A      Y    41_A     0.991     0    0.048   0.340     1.237   88.214   89.722
LGA    S    42_A      S    42_A     1.242     0    0.047   0.629     2.371   81.429   78.651
LGA    L    43_A      L    43_A     1.252     0    0.040   0.060     1.699   81.429   78.214
LGA    I    44_A      I    44_A     0.898     0    0.025   1.289     3.436   88.214   74.167
LGA    K    45_A      K    45_A     0.784     0    0.052   0.837     2.101   90.476   82.698
LGA    K    46_A      K    46_A     0.949     0    0.026   0.729     2.706   90.476   79.048
LGA    F    47_A      F    47_A     0.565     0    0.057   0.578     4.533   95.238   69.394
LGA    M    48_A      M    48_A     0.578     0    0.042   0.727     3.289   92.857   81.548
LGA    L    49_A      L    49_A     0.728     0    0.051   0.324     1.094   88.214   90.536
LGA    E    50_A      E    50_A     0.675     0    0.105   0.760     3.400   88.214   75.556
LGA    N    51_A      N    51_A     0.930     0    0.245   0.273     2.856   90.476   77.679
LGA    G    52_A      G    52_A     0.895     0    0.080   0.080     1.027   88.214   88.214
LGA    F    53_A      F    53_A     1.043     0    0.094   0.226     1.572   81.548   84.762
LGA    E    54_A      E    54_A     0.888     0    0.033   0.143     1.185   90.476   86.455
LGA    H    55_A      H    55_A     0.771     0    0.020   0.346     1.440   88.214   85.952
LGA    R    56_A      R    56_A     1.021     0    0.081   1.301     9.379   75.357   51.126
LGA    Q    57_A      Q    57_A     3.441     0    0.606   0.714     5.542   44.167   36.032
LGA    Y    58_A      Y    58_A     3.694     0    0.525   1.129    10.437   48.333   24.683
LGA    S    59_A      S    59_A     3.162     0    0.223   0.270     4.606   46.905   42.698
LGA    G    60_A      G    60_A     1.130     0    0.162   0.162     1.306   81.429   81.429
LGA    Y    61_A      Y    61_A     0.892     0    0.113   0.228     1.418   90.476   87.460
LGA    T    62_A      T    62_A     0.764     0    0.028   1.193     3.287   90.476   82.109
LGA    S    63_A      S    63_A     0.465     0    0.075   0.696     3.693   84.167   78.413
LGA    K    64_A      K    64_A     3.033     0    0.104   0.969     7.289   59.167   42.169
LGA    E    65_A      E    65_A     0.499     0    0.656   1.008     5.968   80.476   62.910
LGA    P    66_A      P    66_A     0.694     0    0.260   0.299     4.415   73.690   62.857
LGA    I    67_A      I    67_A     3.905     0    0.093   1.028     9.186   42.500   25.417
LGA    N    68_A      N    68_A     3.440     0    0.612   1.090     5.340   46.905   44.881
LGA    E    69_A      E    69_A     6.140     0    0.038   0.440    11.702   23.929   11.905
LGA    R    70_A      R    70_A     4.327     0    0.071   1.414     8.673   47.143   27.489
LGA    R    71_A      R    71_A     0.144     0    0.071   1.323    10.118   90.595   54.545
LGA    V    72_A      V    72_A     3.537     0    0.046   0.157     6.491   52.024   38.980
LGA    I    73_A      I    73_A     4.254     0    0.095   0.429     6.997   43.452   31.607
LGA    R    74_A      R    74_A     2.587     0    0.050   1.534    11.541   62.976   35.065
LGA    I    75_A      I    75_A     1.427     0    0.029   1.395     5.381   83.929   69.702
LGA    I    76_A      I    76_A     3.124     0    0.045   1.163     5.019   57.262   45.179
LGA    N    77_A      N    77_A     3.550     0    0.071   1.085     7.542   53.690   37.024
LGA    K    78_A      K    78_A     2.550     0    0.039   0.877    11.157   64.881   37.566
LGA    L    79_A      L    79_A     1.619     0    0.039   1.445     7.794   83.810   56.488
LGA    T    80_A      T    80_A     2.596     0    0.048   1.115     5.822   62.976   53.605
LGA    K    81_A      K    81_A     3.720     0    0.039   0.887     9.125   46.905   30.529
LGA    K    82_A      K    82_A     2.987     0    0.046   1.168     8.232   59.048   38.413
LGA    F    83_A      F    83_A     0.715     0    0.158   0.318     2.326   88.214   81.732
LGA    T    84_A      T    84_A     2.241     0    0.190   1.215     5.632   68.929   57.755
LGA    W    85_A      W    85_A     2.225     0    0.201   0.369     2.257   68.810   71.122
LGA    L    86_A      L    86_A     2.173     0    0.042   1.137     2.560   66.786   66.845
LGA    G    87_A      G    87_A     2.362     0    0.055   0.055     2.362   64.762   64.762
LGA    E    88_A      E    88_A     1.450     0    0.042   0.407     1.848   79.286   81.640
LGA    C    89_A      C    89_A     1.015     0    0.142   0.728     3.458   85.952   79.206
LGA    V    90_A      V    90_A     0.831     0    0.027   1.109     3.373   85.952   77.347
LGA    K    91_A      K    91_A     0.948     0    0.085   1.193     2.640   79.643   73.439
LGA    E    92_A      E    92_A     1.878     0    0.021   1.056     2.567   79.405   77.037
LGA    F    93_A      F    93_A     1.247     0    0.055   0.535     1.808   77.143   77.576
LGA    D    94_A      D    94_A     1.646     0    0.088   0.270     3.312   79.286   68.274
LGA    I    95_A      I    95_A     0.842     0    0.088   0.978     2.303   85.952   78.571
LGA    T    96_A      T    96_A     0.978     0    0.115   0.955     2.541   88.214   80.612
LGA    E    97_A      E    97_A     0.661     0    0.044   0.947     2.944   90.476   79.312
LGA    I    98_A      I    98_A     1.163     0    0.047   1.204     2.565   83.690   74.286
LGA    G    99_A      G    99_A     0.810     0    0.057   0.057     1.212   83.690   83.690
LGA    E   100_A      E   100_A     1.187     0    0.030   1.115     7.639   81.429   55.450
LGA    Q   101_A      Q   101_A     0.546     0    0.112   1.143     3.926   88.214   72.328
LGA    Y   102_A      Y   102_A     1.856     0    0.130   1.038     8.836   70.952   41.905
LGA    S   103_A      S   103_A     2.649     0    0.110   0.666     4.553   59.048   54.127
LGA    L   104_A      L   104_A     2.759     0    0.139   0.225     3.911   55.357   51.845
LGA    K   105_A      K   105_A     3.461     0    0.059   1.048     7.565   46.667   35.661
LGA    E   106_A      E   106_A     3.384     0    0.094   0.956     5.608   45.119   41.323
LGA    T   107_A      T   107_A     3.285     0    0.024   1.111     4.386   45.119   47.415
LGA    I   108_A      I   108_A     4.314     0    0.044   1.404     6.032   32.024   28.214
LGA    Q   109_A      Q   109_A     5.805     0    0.060   0.696     6.995   20.833   28.730
LGA    D   110_A      D   110_A     6.178     0    0.036   0.260     7.742   14.762   19.286
LGA    L   111_A      L   111_A     6.788     0    0.129   0.955     8.573   10.119   11.012
LGA    C   112_A      C   112_A     8.702     0    0.475   0.909     9.679    2.976    2.698
LGA    A   113_A      A   113_A    12.422     0    0.142   0.139    13.660    0.000    0.000
LGA    K   114_A      K   114_A    12.885     0    0.474   1.109    13.082    0.000    0.053
LGA    D   115_A      D   115_A    14.098     0    0.169   1.131    17.488    0.000    0.000
LGA    F   116_A      F   116_A    20.512     0    0.636   0.935    25.675    0.000    0.000
LGA    H   117_A      H   117_A    22.695     0    0.203   1.408    28.294    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):     4.064          3.999                  5.033           67.910   58.932

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  138  106    4.0     93    1.97    74.292    77.907     4.482

LGA_LOCAL      RMSD:   1.975  Number of atoms:   93  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.493  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   4.064  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.794831 * X  +  -0.597115 * Y  +  -0.108157 * Z  + -27.660025
  Y_new =  -0.194570 * X  +  -0.419590 * Y  +   0.886615 * Z  + -56.875614
  Z_new =  -0.574793 * X  +  -0.683665 * Y  +  -0.449684 * Z  +  48.464409 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.240073  0.612351 -2.152604   [DEG:  -13.7552   35.0851 -123.3351 ]
ZXZ: -3.020204  2.037208 -2.442492   [DEG: -173.0449  116.7234 -139.9445 ]
 
# END of job
