
#######################################################
#                                                     #
#                        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  111 (  795),  selected  105 , name one
# Molecule2: number of CA atoms  105 (  764),  selected  105 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105       7_B - 111_B       2.91     2.91
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    67      18_B - 84_B        1.97     2.99
  LONGEST_CONTINUOUS_SEGMENT:    67      19_B - 85_B        1.93     2.97
  LONGEST_CONTINUOUS_SEGMENT:    67      20_B - 86_B        2.00     2.98
  LCS_AVERAGE:     50.18

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      21_B - 53_B        0.97     3.18
  LCS_AVERAGE:     18.89

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  105
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     E     7_B     E     7_B      6    9  105      3    6    6   10   19   30   44   53   66   73   79   94   99  104  105  105  105  105  105  105 
LCS_GDT     P     8_B     P     8_B      6    9  105      3    6    8   25   49   64   79   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     K     9_B     K     9_B      6    9  105      3    6    6   10   21   35   53   68   80   93   98  102  104  104  105  105  105  105  105  105 
LCS_GDT     V    10_B     V    10_B      6    9  105      3    6    6   13   25   44   71   84   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     Y    11_B     Y    11_B      6   10  105      3    6    6   10   28   44   58   84   91   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     A    12_B     A    12_B      6   10  105      3    6    6   13   22   44   54   75   90   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     P    13_B     P    13_B      5   58  105      3    4    6   10   22   42   71   84   91   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     V    14_B     V    14_B      5   59  105      3    4    6   13   22   44   71   84   91   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     T    15_B     T    15_B      5   59  105      3    4    6   30   48   66   74   78   89   95  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     T    16_B     T    16_B      5   66  105      3    4    6   10   21   46   67   77   88   95  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     G    17_B     G    17_B      9   66  105      3    7   15   30   39   61   71   78   85   94  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     A    18_B     A    18_B      9   67  105      3    7   10   18   39   48   69   74   80   94   99  102  104  104  105  105  105  105  105  105 
LCS_GDT     D    19_B     D    19_B      9   67  105      3   12   45   65   76   80   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     G    20_B     G    20_B     30   67  105      4   13   49   70   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     K    21_B     K    21_B     33   67  105      4   37   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     L    22_B     L    22_B     33   67  105      9   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     S    23_B     S    23_B     33   67  105      3   19   61   69   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     L    24_B     L    24_B     33   67  105      4   35   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     S    25_B     S    25_B     33   67  105      3   28   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     V    26_B     V    26_B     33   67  105      4   16   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     G    27_B     G    27_B     33   67  105      4   20   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     G    28_B     G    28_B     33   67  105      4   33   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     Y    29_B     Y    29_B     33   67  105      4   32   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     K    30_B     K    30_B     33   67  105     12   37   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     K    31_B     K    31_B     33   67  105     15   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     T    32_B     T    32_B     33   67  105     17   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     F    33_B     F    33_B     33   67  105     17   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     T    34_B     T    34_B     33   67  105     17   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     K    35_B     K    35_B     33   67  105     17   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     V    36_B     V    36_B     33   67  105     17   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     D    37_B     D    37_B     33   67  105     17   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     A    38_B     A    38_B     33   67  105     17   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     A    39_B     A    39_B     33   67  105     13   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     T    40_B     T    40_B     33   67  105     17   36   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     K    41_B     K    41_B     33   67  105     17   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     A    42_B     A    42_B     33   67  105     17   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     P    43_B     P    43_B     33   67  105     17   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     L    44_B     L    44_B     33   67  105     12   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     A    45_B     A    45_B     33   67  105      5   30   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     G    46_B     G    46_B     33   67  105      6   30   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     A    47_B     A    47_B     33   67  105      9   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     V    48_B     V    48_B     33   67  105     17   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     F    49_B     F    49_B     33   67  105     12   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     Q    50_B     Q    50_B     33   67  105     12   28   57   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     V    51_B     V    51_B     33   67  105     15   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     V    52_B     V    52_B     33   67  105     11   30   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     E    53_B     E    53_B     33   67  105     12   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     K    54_B     K    54_B     32   67  105      4   27   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     D    55_B     D    55_B     32   67  105      3   32   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     G    56_B     G    56_B     32   67  105      3   12   50   70   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     D    57_B     D    57_B     32   67  105      4   30   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     I    58_B     I    58_B     32   67  105     11   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     T    59_B     T    59_B     32   67  105     11   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     L    60_B     L    60_B     32   67  105     11   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     Y    61_B     Y    61_B     32   67  105     11   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     E    62_B     E    62_B     23   67  105     14   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     L    63_B     L    63_B     23   67  105     15   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     S    64_B     S    64_B     23   67  105     10   36   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     S    65_B     S    65_B     23   67  105      8   33   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     P    66_B     P    66_B     23   67  105      9   33   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     A    67_B     A    67_B     23   67  105      7   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     G    68_B     G    68_B     23   67  105     17   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     Y    69_B     Y    69_B     23   67  105     11   34   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     V    70_B     V    70_B     14   67  105      7   23   55   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     P    71_B     P    71_B      8   67  105      3    4    9   25   41   76   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     V    72_B     V    72_B      4   67  105      3    4   25   63   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     T    73_B     T    73_B      4   67  105      3    6   35   68   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     N    74_B     N    74_B      4   67  105      3    4    9   32   47   59   79   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     K    75_B     K    75_B      7   67  105      3    8   29   52   74   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     P    76_B     P    76_B      7   67  105     12   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     I    77_B     I    77_B      7   67  105     11   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     Y    78_B     Y    78_B      7   67  105     11   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     N    79_B     N    79_B      7   67  105     11   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     I    80_B     I    80_B      7   67  105     11   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     S    81_B     S    81_B      7   67  105     11   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     T    82_B     T    82_B      7   67  105      3    7   17   41   57   75   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     G    83_B     G    83_B      7   67  105      3    7    7   40   65   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     E    84_B     E    84_B      7   67  105      4    7    7   13   60   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     A    85_B     A    85_B      7   67  105      4    7    7    9   13   31   49   64   88   94  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     F    86_B     F    86_B      7   67  105      4    7    7    7   31   53   79   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     D    87_B     D    87_B      7    8  105      4    7   26   62   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     S    88_B     S    88_B      7    8  105      3    7    7   22   31   65   80   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     A    89_B     A    89_B      4   23  105      3    4    5    5   35   47   79   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     A    90_B     A    90_B      4   23  105      3    4    7   39   62   73   76   87   91   95  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     A    91_B     A    91_B      5   23  105      3    3    5   33   48   70   79   87   91   95  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     S    92_B     S    92_B     16   23  105      7   32   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     V    93_B     V    93_B     16   23  105     14   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     V    94_B     V    94_B     16   23  105     13   36   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     K    95_B     K    95_B     16   23  105     13   31   58   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     E    96_B     E    96_B     16   23  105     13   25   49   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     D    97_B     D    97_B     16   23  105     13   25   51   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     G    98_B     G    98_B     16   23  105     13   26   48   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     Q    99_B     Q    99_B     16   23  105     13   28   58   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     Y   100_B     Y   100_B     16   23  105     13   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     Y   101_B     Y   101_B     16   23  105     17   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     I   102_B     I   102_B     16   23  105     17   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     T   103_B     T   103_B     16   23  105     17   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     N   104_B     N   104_B     16   23  105     17   39   61   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     T   105_B     T   105_B     16   23  105      4   26   49   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     A   106_B     A   106_B     16   23  105      7   26   55   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     A   107_B     A   107_B     16   23  105      6   26   55   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     L   108_B     L   108_B     16   23  105      3   13   32   57   77   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     A   109_B     A   109_B     16   23  105      3   25   48   71   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     A   110_B     A   110_B      4   23  105      3   16   47   64   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_GDT     A   111_B     A   111_B      4   23  105      3    9   48   68   78   82   86   87   92   96  101  102  104  104  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  56.36  (  18.89   50.18  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     17     39     61     71     78     82     86     87     92     96    101    102    104    104    105    105    105    105    105    105 
GDT PERCENT_AT  16.19  37.14  58.10  67.62  74.29  78.10  81.90  82.86  87.62  91.43  96.19  97.14  99.05  99.05 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.37   0.71   1.04   1.22   1.43   1.58   1.72   1.78   2.10   2.35   2.58   2.64   2.78   2.78   2.91   2.91   2.91   2.91   2.91   2.91
GDT RMS_ALL_AT   3.10   3.06   3.09   3.03   2.97   2.98   2.97   2.97   2.96   2.93   2.93   2.92   2.91   2.91   2.91   2.91   2.91   2.91   2.91   2.91

# Checking swapping
#   possible swapping detected:  E     7_B      E     7_B
#   possible swapping detected:  D    37_B      D    37_B
#   possible swapping detected:  Y    61_B      Y    61_B
#   possible swapping detected:  E    84_B      E    84_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     9.523     0    0.278   1.131    16.093    1.429    0.635
LGA    P     8_B      P     8_B     5.167     0    0.127   0.132     6.218   20.476   27.823
LGA    K     9_B      K     9_B     7.379     0    0.085   1.156    16.262   16.548    7.407
LGA    V    10_B      V    10_B     5.331     0    0.044   0.117     7.337   18.690   17.483
LGA    Y    11_B      Y    11_B     6.285     0    0.018   1.219    15.694   24.048    8.651
LGA    A    12_B      A    12_B     5.793     0    0.263   0.309     6.711   20.357   18.952
LGA    P    13_B      P    13_B     5.761     0    0.081   0.348     6.339   21.429   22.177
LGA    V    14_B      V    14_B     5.478     0    0.268   1.162     8.483   21.786   19.320
LGA    T    15_B      T    15_B     5.572     0    0.069   1.087     9.058   27.619   18.299
LGA    T    16_B      T    16_B     5.815     0    0.633   0.536     9.181   15.714   10.612
LGA    G    17_B      G    17_B     6.204     0    0.114   0.114     7.150   16.667   16.667
LGA    A    18_B      A    18_B     7.108     0    0.256   0.251     8.121   14.524   12.571
LGA    D    19_B      D    19_B     3.229     0    0.138   0.119     5.272   52.262   42.679
LGA    G    20_B      G    20_B     2.388     0    0.320   0.320     2.761   64.881   64.881
LGA    K    21_B      K    21_B     0.793     0    0.100   0.803     2.539   81.548   76.984
LGA    L    22_B      L    22_B     0.678     0    0.064   0.953     4.802   88.214   74.405
LGA    S    23_B      S    23_B     2.367     0    0.265   0.264     4.827   72.976   61.111
LGA    L    24_B      L    24_B     0.850     0    0.094   0.144     1.666   81.548   81.548
LGA    S    25_B      S    25_B     1.800     0    0.365   0.760     4.298   75.000   66.984
LGA    V    26_B      V    26_B     1.776     0    0.017   0.079     2.009   70.833   71.701
LGA    G    27_B      G    27_B     1.738     0    0.088   0.088     1.780   77.143   77.143
LGA    G    28_B      G    28_B     0.935     0    0.027   0.027     1.237   88.214   88.214
LGA    Y    29_B      Y    29_B     0.780     0    0.461   0.865     5.642   86.071   64.048
LGA    K    30_B      K    30_B     1.294     0    0.079   0.440     2.745   79.286   72.169
LGA    K    31_B      K    31_B     0.904     0    0.098   0.765     2.618   90.476   82.910
LGA    T    32_B      T    32_B     0.550     0    0.038   1.118     2.765   90.476   80.952
LGA    F    33_B      F    33_B     0.606     0    0.083   0.193     1.614   90.476   85.628
LGA    T    34_B      T    34_B     0.545     0    0.062   0.137     1.029   97.619   93.265
LGA    K    35_B      K    35_B     0.567     0    0.094   0.671     2.778   90.476   80.000
LGA    V    36_B      V    36_B     0.662     0    0.055   0.107     1.052   90.476   87.891
LGA    D    37_B      D    37_B     0.801     0    0.082   0.415     1.468   88.214   88.214
LGA    A    38_B      A    38_B     0.909     0    0.033   0.032     1.084   85.952   86.857
LGA    A    39_B      A    39_B     1.460     0    0.113   0.123     1.999   79.286   79.714
LGA    T    40_B      T    40_B     0.962     0    0.013   0.074     1.385   85.952   87.891
LGA    K    41_B      K    41_B     0.888     0    0.110   1.095     5.516   88.214   67.989
LGA    A    42_B      A    42_B     0.842     0    0.019   0.027     0.850   90.476   90.476
LGA    P    43_B      P    43_B     0.831     0    0.024   0.050     1.303   90.476   86.599
LGA    L    44_B      L    44_B     0.608     0    0.066   0.093     1.261   88.214   94.107
LGA    A    45_B      A    45_B     1.535     0    0.033   0.046     2.447   75.000   72.952
LGA    G    46_B      G    46_B     2.283     0    0.030   0.030     2.289   68.810   68.810
LGA    A    47_B      A    47_B     1.354     0    0.118   0.137     1.407   81.429   81.429
LGA    V    48_B      V    48_B     0.917     0    0.028   0.055     1.803   85.952   82.789
LGA    F    49_B      F    49_B     0.922     0    0.024   0.112     1.066   88.214   92.251
LGA    Q    50_B      Q    50_B     1.602     0    0.033   0.295     3.034   79.286   68.783
LGA    V    51_B      V    51_B     1.265     0    0.011   1.182     3.572   79.286   73.537
LGA    V    52_B      V    52_B     1.429     0    0.142   1.111     3.041   83.690   74.626
LGA    E    53_B      E    53_B     0.969     0    0.055   0.723     1.778   90.476   87.566
LGA    K    54_B      K    54_B     1.418     0    0.180   0.676     4.694   75.357   60.899
LGA    D    55_B      D    55_B     0.964     0    0.169   0.827     4.009   88.214   71.488
LGA    G    56_B      G    56_B     2.396     0    0.224   0.224     2.396   68.810   68.810
LGA    D    57_B      D    57_B     1.217     0    0.224   0.331     2.835   85.952   75.417
LGA    I    58_B      I    58_B     1.385     0    0.017   0.136     1.860   79.286   76.071
LGA    T    59_B      T    59_B     1.431     0    0.080   1.096     3.578   77.143   71.156
LGA    L    60_B      L    60_B     1.573     0    0.032   0.112     1.573   77.143   78.214
LGA    Y    61_B      Y    61_B     1.693     0    0.020   0.203     1.772   72.857   78.611
LGA    E    62_B      E    62_B     1.666     0    0.035   0.083     2.314   72.857   70.159
LGA    L    63_B      L    63_B     1.635     0    0.037   1.089     2.898   72.857   71.071
LGA    S    64_B      S    64_B     2.137     0    0.106   0.132     2.396   66.786   66.111
LGA    S    65_B      S    65_B     2.219     0    0.015   0.048     2.591   64.762   63.492
LGA    P    66_B      P    66_B     2.088     0    0.068   0.099     2.194   68.810   69.388
LGA    A    67_B      A    67_B     1.572     0    0.015   0.022     1.862   77.143   76.286
LGA    G    68_B      G    68_B     0.781     0    0.095   0.095     1.122   85.952   85.952
LGA    Y    69_B      Y    69_B     1.418     0    0.070   0.114     2.028   75.119   80.833
LGA    V    70_B      V    70_B     2.208     0    0.058   0.082     3.127   72.976   67.347
LGA    P    71_B      P    71_B     3.356     0    0.025   0.361     4.578   59.405   49.116
LGA    V    72_B      V    72_B     2.356     0    0.147   0.241     4.351   54.048   55.646
LGA    T    73_B      T    73_B     2.198     0    0.601   0.503     2.871   68.810   69.524
LGA    N    74_B      N    74_B     5.124     0    0.257   0.312     8.429   32.976   21.369
LGA    K    75_B      K    75_B     3.216     0    0.220   0.911     4.416   53.810   51.270
LGA    P    76_B      P    76_B     0.928     0    0.088   0.105     1.470   85.952   84.014
LGA    I    77_B      I    77_B     1.907     0    0.084   0.598     2.233   70.833   70.833
LGA    Y    78_B      Y    78_B     1.855     0    0.055   0.179     1.925   72.857   72.857
LGA    N    79_B      N    79_B     1.829     0    0.054   0.917     5.216   70.833   56.369
LGA    I    80_B      I    80_B     1.666     0    0.089   0.600     2.114   72.857   72.917
LGA    S    81_B      S    81_B     1.537     0    0.408   0.645     3.647   63.452   60.159
LGA    T    82_B      T    82_B     3.973     0    0.574   1.028     8.215   52.024   33.333
LGA    G    83_B      G    83_B     3.246     0    0.192   0.192     3.582   50.119   50.119
LGA    E    84_B      E    84_B     3.440     0    0.067   0.739     5.651   43.571   36.296
LGA    A    85_B      A    85_B     5.616     0    0.009   0.014     6.939   33.571   29.524
LGA    F    86_B      F    86_B     5.261     0    0.072   1.299     8.407   26.310   15.974
LGA    D    87_B      D    87_B     2.935     0    0.585   1.208     3.748   50.119   53.690
LGA    S    88_B      S    88_B     5.600     0    0.062   0.126     8.906   36.548   25.635
LGA    A    89_B      A    89_B     4.286     0    0.221   0.224     6.711   37.500   32.667
LGA    A    90_B      A    90_B     4.888     0    0.112   0.116     7.403   31.190   29.238
LGA    A    91_B      A    91_B     4.718     0    0.667   0.606     6.465   38.929   34.571
LGA    S    92_B      S    92_B     0.949     0    0.396   0.346     2.809   85.952   76.349
LGA    V    93_B      V    93_B     0.765     0    0.058   0.067     1.783   92.857   85.510
LGA    V    94_B      V    94_B     0.448     0    0.037   0.050     0.994  100.000   95.918
LGA    K    95_B      K    95_B     1.092     0    0.028   0.145     1.234   83.690   82.434
LGA    E    96_B      E    96_B     1.486     0    0.441   1.065     3.988   69.762   67.619
LGA    D    97_B      D    97_B     1.450     0    0.186   0.155     1.485   81.429   81.429
LGA    G    98_B      G    98_B     1.792     0    0.031   0.031     1.851   72.857   72.857
LGA    Q    99_B      Q    99_B     1.247     0    0.032   0.927     4.235   81.429   73.122
LGA    Y   100_B      Y   100_B     0.979     0    0.010   0.081     1.795   88.214   80.833
LGA    Y   101_B      Y   101_B     0.544     0    0.065   0.100     0.693   90.476   95.238
LGA    I   102_B      I   102_B     0.379     0    0.015   0.099     0.765   97.619   97.619
LGA    T   103_B      T   103_B     0.374     0    0.040   0.082     0.640  100.000   97.279
LGA    N   104_B      N   104_B     0.610     1    0.049   0.425     1.611   88.214   74.702
LGA    T   105_B      T   105_B     1.932     0    0.018   0.032     3.213   75.000   66.327
LGA    A   106_B      A   106_B     1.747     0    0.059   0.074     2.413   70.833   71.238
LGA    A   107_B      A   107_B     1.881     0    0.036   0.048     2.211   72.857   71.238
LGA    L   108_B      L   108_B     3.172     0    0.582   1.464     8.527   61.190   40.833
LGA    A   109_B      A   109_B     1.594     0    0.515   0.552     2.680   75.476   73.333
LGA    A   110_B      A   110_B     2.734     0    0.016   0.017     3.840   62.857   58.952
LGA    A   111_B      A   111_B     1.917     0    0.589   0.591     3.285   61.190   58.952

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      105     420    420  100.00     764    764  100.00               105
SUMMARY(RMSD_GDC):     2.907          2.863                  3.580           67.770   63.580

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  111  105    4.0     87    1.78    71.905    70.936     4.639

LGA_LOCAL      RMSD:   1.775  Number of atoms:   87  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.972  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   2.907  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.345984 * X  +  -0.803033 * Y  +  -0.485215 * Z  +  45.393253
  Y_new =  -0.458390 * X  +  -0.595908 * Y  +   0.659373 * Z  + -57.808880
  Z_new =  -0.818642 * X  +  -0.005715 * Y  +  -0.574276 * Z  +   8.133188 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.924242  0.959042 -3.131642   [DEG:  -52.9552   54.9491 -179.4299 ]
ZXZ: -2.507194  2.182516 -1.577777   [DEG: -143.6516  125.0490  -90.4000 ]
 
# END of job
