
#######################################################
#                                                     #
#                        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       2.33     2.33
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       7_B - 89_B        1.97     2.36
  LCS_AVERAGE:     66.34

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      30_B - 64_B        0.98     2.59
  LCS_AVERAGE:     21.71

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      8   83  105      6    6   15   34   57   70   84   97  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     P     8_B     P     8_B     10   83  105      6    8   29   54   72   87   94   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     K     9_B     K     9_B     14   83  105      6   16   48   78   85   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    10_B     V    10_B     14   83  105      6   15   47   78   86   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     Y    11_B     Y    11_B     16   83  105     15   55   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    12_B     A    12_B     16   83  105     16   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     P    13_B     P    13_B     16   83  105     17   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    14_B     V    14_B     16   83  105     14   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     T    15_B     T    15_B     16   83  105     15   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     T    16_B     T    16_B     16   83  105     15   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    17_B     G    17_B     16   83  105     14   25   67   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    18_B     A    18_B     16   83  105     13   52   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     D    19_B     D    19_B     33   83  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    20_B     G    20_B     33   83  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     K    21_B     K    21_B     33   83  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     L    22_B     L    22_B     33   83  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     S    23_B     S    23_B     33   83  105      3   23   72   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     L    24_B     L    24_B     33   83  105     14   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     S    25_B     S    25_B     33   83  105      9   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    26_B     V    26_B     33   83  105      6   54   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    27_B     G    27_B     33   83  105      3    9   48   78   85   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    28_B     G    28_B     33   83  105      3    8   59   78   86   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     Y    29_B     Y    29_B     33   83  105     13   53   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     K    30_B     K    30_B     35   83  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     K    31_B     K    31_B     35   83  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     T    32_B     T    32_B     35   83  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     F    33_B     F    33_B     35   83  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     T    34_B     T    34_B     35   83  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     K    35_B     K    35_B     35   83  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    36_B     V    36_B     35   83  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     D    37_B     D    37_B     35   83  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    38_B     A    38_B     35   83  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    39_B     A    39_B     35   83  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     T    40_B     T    40_B     35   83  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     K    41_B     K    41_B     35   83  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    42_B     A    42_B     35   83  105     23   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     P    43_B     P    43_B     35   83  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     L    44_B     L    44_B     35   83  105     29   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    45_B     A    45_B     35   83  105     14   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    46_B     G    46_B     35   83  105     14   47   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    47_B     A    47_B     35   83  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    48_B     V    48_B     35   83  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     F    49_B     F    49_B     35   83  105     26   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     Q    50_B     Q    50_B     35   83  105      8   48   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    51_B     V    51_B     35   83  105     26   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    52_B     V    52_B     35   83  105     17   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     E    53_B     E    53_B     35   83  105     14   47   72   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     K    54_B     K    54_B     35   83  105      8   31   68   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     D    55_B     D    55_B     35   83  105      8   18   63   83   87   93   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    56_B     G    56_B     35   83  105     12   18   63   83   87   93   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     D    57_B     D    57_B     35   83  105     12   42   68   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     I    58_B     I    58_B     35   83  105     12   48   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     T    59_B     T    59_B     35   83  105     18   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     L    60_B     L    60_B     35   83  105     19   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     Y    61_B     Y    61_B     35   83  105     17   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     E    62_B     E    62_B     35   83  105     18   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     L    63_B     L    63_B     35   83  105     27   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     S    64_B     S    64_B     35   83  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     S    65_B     S    65_B     20   83  105     15   49   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     P    66_B     P    66_B     20   83  105      8   28   71   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    67_B     A    67_B     19   83  105     11   38   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    68_B     G    68_B     19   83  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     Y    69_B     Y    69_B     19   83  105     13   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    70_B     V    70_B     14   83  105     11   35   68   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     P    71_B     P    71_B      7   83  105      3    5    8   13   78   86   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    72_B     V    72_B      5   83  105      4    5   36   64   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     T    73_B     T    73_B     10   83  105      7   39   71   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     N    74_B     N    74_B     13   83  105      4    5   43   75   86   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     K    75_B     K    75_B     13   83  105      8   17   36   59   86   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     P    76_B     P    76_B     13   83  105     23   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     I    77_B     I    77_B     13   83  105     16   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     Y    78_B     Y    78_B     13   83  105     19   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     N    79_B     N    79_B     13   83  105     17   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     I    80_B     I    80_B     13   83  105     12   47   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     S    81_B     S    81_B     13   83  105     12   45   72   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     T    82_B     T    82_B     13   83  105     13   54   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    83_B     G    83_B     13   83  105     11   44   72   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     E    84_B     E    84_B     13   83  105     12   49   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    85_B     A    85_B     13   83  105     14   49   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     F    86_B     F    86_B     13   83  105      5   42   71   83   86   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     D    87_B     D    87_B     10   83  105      4   13   45   69   85   90   96   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     S    88_B     S    88_B      6   83  105      3    8   21   55   81   89   95   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    89_B     A    89_B      3   83  105      3    3    4    4    5   39   62   79   91   96  101  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    90_B     A    90_B      3    5  105      3    3    4    4    4    5   17   45   50   71   85   91  100  101  104  105  105  105  105  105 
LCS_GDT     A    91_B     A    91_B      3   20  105      3    3    4    5   20   38   61   83   94   98  101  103  104  104  104  105  105  105  105  105 
LCS_GDT     S    92_B     S    92_B     17   20  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    93_B     V    93_B     17   20  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    94_B     V    94_B     17   20  105     20   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     K    95_B     K    95_B     17   20  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     E    96_B     E    96_B     17   20  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     D    97_B     D    97_B     17   20  105     20   50   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    98_B     G    98_B     17   20  105     22   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     Q    99_B     Q    99_B     17   20  105     23   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     Y   100_B     Y   100_B     17   20  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     Y   101_B     Y   101_B     17   20  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     I   102_B     I   102_B     17   20  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     T   103_B     T   103_B     17   20  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     N   104_B     N   104_B     17   20  105     30   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     T   105_B     T   105_B     17   20  105     20   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A   106_B     A   106_B     17   20  105     20   56   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A   107_B     A   107_B     17   20  105      9   50   73   83   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     L   108_B     L   108_B     17   20  105      3    7   44   68   87   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A   109_B     A   109_B      5   20  105      3    6   26   70   85   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A   110_B     A   110_B      5   20  105      3   32   58   78   86   94   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A   111_B     A   111_B      5   20  105      3    6   19   44   64   82   91   99  101  102  102  102  104  104  104  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  62.68  (  21.71   66.34  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     30     56     73     83     87     94     97     99    101    102    102    103    104    104    104    105    105    105    105    105 
GDT PERCENT_AT  28.57  53.33  69.52  79.05  82.86  89.52  92.38  94.29  96.19  97.14  97.14  98.10  99.05  99.05  99.05 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.64   0.86   1.05   1.20   1.45   1.55   1.64   1.81   1.91   1.91   2.03   2.12   2.12   2.12   2.33   2.33   2.33   2.33   2.33
GDT RMS_ALL_AT   2.67   2.45   2.42   2.45   2.49   2.37   2.39   2.37   2.36   2.35   2.35   2.34   2.34   2.34   2.34   2.33   2.33   2.33   2.33   2.33

# Checking swapping
#   possible swapping detected:  E     7_B      E     7_B
#   possible swapping detected:  F    33_B      F    33_B
#   possible swapping detected:  F    49_B      F    49_B
#   possible swapping detected:  E    53_B      E    53_B
#   possible swapping detected:  E    62_B      E    62_B
#   possible swapping detected:  Y    69_B      Y    69_B
#   possible swapping detected:  Y    78_B      Y    78_B
#   possible swapping detected:  E    84_B      E    84_B
#   possible swapping detected:  E    96_B      E    96_B
#   possible swapping detected:  Y   100_B      Y   100_B
#   possible swapping detected:  Y   101_B      Y   101_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     6.892     0    0.050   1.316    11.474   17.738    9.418
LGA    P     8_B      P     8_B     4.881     0    0.073   0.326     6.551   30.357   25.442
LGA    K     9_B      K     9_B     3.490     0    0.021   0.847     3.783   52.024   52.487
LGA    V    10_B      V    10_B     3.113     0    0.000   0.059     4.935   55.476   47.687
LGA    Y    11_B      Y    11_B     0.983     0    0.086   0.269     1.532   86.071   85.992
LGA    A    12_B      A    12_B     0.732     0    0.024   0.030     0.868   90.476   90.476
LGA    P    13_B      P    13_B     0.651     0    0.053   0.358     1.021   95.238   91.905
LGA    V    14_B      V    14_B     0.822     0    0.055   1.006     2.874   92.857   84.490
LGA    T    15_B      T    15_B     1.035     0    0.075   0.113     1.821   81.548   81.497
LGA    T    16_B      T    16_B     0.852     0    0.017   0.075     1.514   83.810   86.667
LGA    G    17_B      G    17_B     1.944     0    0.080   0.080     1.944   77.143   77.143
LGA    A    18_B      A    18_B     1.129     0    0.020   0.026     1.438   85.952   85.048
LGA    D    19_B      D    19_B     0.692     0    0.120   0.152     2.172   92.857   83.988
LGA    G    20_B      G    20_B     0.469     0    0.023   0.023     0.612   97.619   97.619
LGA    K    21_B      K    21_B     0.605     0    0.085   0.840     2.474   90.476   83.651
LGA    L    22_B      L    22_B     0.541     0    0.086   0.959     3.986   88.214   80.119
LGA    S    23_B      S    23_B     1.813     0    0.258   0.254     3.662   79.286   68.413
LGA    L    24_B      L    24_B     0.933     0    0.048   0.077     1.434   88.214   84.821
LGA    S    25_B      S    25_B     0.900     0    0.215   0.700     2.922   83.690   78.889
LGA    V    26_B      V    26_B     1.405     0    0.139   1.143     4.671   77.143   70.748
LGA    G    27_B      G    27_B     3.297     0    0.633   0.633     5.321   46.071   46.071
LGA    G    28_B      G    28_B     2.803     0    0.061   0.061     2.803   60.952   60.952
LGA    Y    29_B      Y    29_B     1.427     0    0.510   0.806     3.476   69.286   72.460
LGA    K    30_B      K    30_B     0.502     0    0.025   0.274     3.999   97.619   80.847
LGA    K    31_B      K    31_B     0.564     0    0.055   0.381     1.375   92.857   89.524
LGA    T    32_B      T    32_B     0.494     0    0.060   1.054     2.910   97.619   86.122
LGA    F    33_B      F    33_B     0.363     0    0.014   0.197     1.554  100.000   90.736
LGA    T    34_B      T    34_B     0.453     0    0.025   0.060     0.598   97.619   97.279
LGA    K    35_B      K    35_B     0.204     0    0.041   0.455     1.807  100.000   92.857
LGA    V    36_B      V    36_B     0.409     0    0.040   0.049     0.530  100.000   97.279
LGA    D    37_B      D    37_B     0.724     0    0.017   0.597     2.105   90.476   87.262
LGA    A    38_B      A    38_B     0.513     0    0.026   0.035     0.569   92.857   92.381
LGA    A    39_B      A    39_B     0.822     0    0.082   0.079     0.998   90.476   90.476
LGA    T    40_B      T    40_B     0.778     0    0.007   0.073     0.894   90.476   90.476
LGA    K    41_B      K    41_B     0.459     0    0.112   1.366     6.632   90.595   74.444
LGA    A    42_B      A    42_B     0.901     0    0.018   0.026     1.199   90.476   88.667
LGA    P    43_B      P    43_B     0.539     0    0.019   0.340     1.766   92.857   88.027
LGA    L    44_B      L    44_B     0.440     0    0.208   0.220     0.898   97.619   94.048
LGA    A    45_B      A    45_B     1.023     0    0.062   0.085     1.316   83.690   83.238
LGA    G    46_B      G    46_B     1.643     0    0.089   0.089     1.643   79.286   79.286
LGA    A    47_B      A    47_B     0.854     0    0.081   0.103     0.965   90.476   90.476
LGA    V    48_B      V    48_B     0.668     0    0.044   0.086     1.192   92.857   89.252
LGA    F    49_B      F    49_B     0.439     0    0.096   0.119     0.914   95.238   93.939
LGA    Q    50_B      Q    50_B     1.261     0    0.046   1.083     2.532   88.333   80.899
LGA    V    51_B      V    51_B     0.590     0    0.008   1.238     3.396   92.857   83.469
LGA    V    52_B      V    52_B     0.511     0    0.134   1.064     3.329   92.857   84.762
LGA    E    53_B      E    53_B     1.765     0    0.047   0.722     3.862   75.000   67.037
LGA    K    54_B      K    54_B     2.555     0    0.052   1.088     8.239   57.262   43.862
LGA    D    55_B      D    55_B     3.315     0    0.095   0.144     3.774   50.119   49.226
LGA    G    56_B      G    56_B     3.269     0    0.279   0.279     4.216   46.786   46.786
LGA    D    57_B      D    57_B     2.284     0    0.077   0.746     3.835   68.810   62.202
LGA    I    58_B      I    58_B     1.407     0    0.017   0.565     3.510   77.143   71.310
LGA    T    59_B      T    59_B     0.634     0    0.047   1.003     2.351   90.476   83.129
LGA    L    60_B      L    60_B     0.611     0    0.055   0.229     0.896   95.238   94.048
LGA    Y    61_B      Y    61_B     0.615     0    0.050   0.217     1.206   90.476   91.310
LGA    E    62_B      E    62_B     0.629     0    0.059   0.379     1.505   90.476   88.519
LGA    L    63_B      L    63_B     0.675     0    0.073   1.095     2.703   90.476   84.107
LGA    S    64_B      S    64_B     0.886     0    0.023   0.591     2.402   85.952   83.175
LGA    S    65_B      S    65_B     1.598     0    0.014   0.670     2.391   77.143   74.365
LGA    P    66_B      P    66_B     1.921     0    0.006   0.053     2.637   77.143   70.748
LGA    A    67_B      A    67_B     1.355     0    0.017   0.020     1.713   83.810   81.619
LGA    G    68_B      G    68_B     0.475     0    0.027   0.027     0.827   95.238   95.238
LGA    Y    69_B      Y    69_B     1.099     0    0.103   0.169     1.794   79.405   86.032
LGA    V    70_B      V    70_B     2.096     0    0.067   0.104     3.245   72.976   66.259
LGA    P    71_B      P    71_B     3.650     0    0.013   0.321     5.290   53.810   43.537
LGA    V    72_B      V    72_B     2.986     0    0.248   0.310     4.554   47.143   46.599
LGA    T    73_B      T    73_B     1.635     0    0.108   0.145     1.777   72.857   75.306
LGA    N    74_B      N    74_B     2.725     0    0.222   0.378     3.766   59.048   52.024
LGA    K    75_B      K    75_B     2.821     0    0.117   0.884     7.448   65.000   42.593
LGA    P    76_B      P    76_B     0.719     0    0.064   0.101     2.071   86.071   80.476
LGA    I    77_B      I    77_B     0.795     0    0.165   1.514     3.589   90.476   79.286
LGA    Y    78_B      Y    78_B     0.689     0    0.045   0.209     1.441   90.476   88.214
LGA    N    79_B      N    79_B     0.706     0    0.058   0.191     1.546   85.952   83.750
LGA    I    80_B      I    80_B     1.431     0    0.019   0.601     1.939   77.143   75.000
LGA    S    81_B      S    81_B     1.776     0    0.017   0.015     2.175   72.857   71.508
LGA    T    82_B      T    82_B     1.002     0    0.055   0.063     1.204   81.429   86.667
LGA    G    83_B      G    83_B     1.712     0    0.153   0.153     2.380   72.976   72.976
LGA    E    84_B      E    84_B     1.567     0    0.040   0.605     2.898   77.143   71.270
LGA    A    85_B      A    85_B     1.390     0    0.011   0.020     1.618   77.143   78.000
LGA    F    86_B      F    86_B     2.049     0    0.036   0.194     2.687   62.976   73.203
LGA    D    87_B      D    87_B     3.745     0    0.621   1.318     6.289   43.452   36.369
LGA    S    88_B      S    88_B     4.227     0    0.655   0.665     6.328   38.690   33.889
LGA    A    89_B      A    89_B     7.212     0    0.170   0.182     9.261    8.690    7.238
LGA    A    90_B      A    90_B    10.549     0    0.034   0.048    12.641    1.071    0.857
LGA    A    91_B      A    91_B     6.706     0    0.668   0.611     7.997   21.667   18.762
LGA    S    92_B      S    92_B     1.203     0    0.693   0.631     2.708   75.357   71.825
LGA    V    93_B      V    93_B     1.129     0    0.012   0.070     1.825   79.286   77.755
LGA    V    94_B      V    94_B     1.346     0    0.064   1.086     3.548   81.429   73.537
LGA    K    95_B      K    95_B     0.995     0    0.036   0.204     1.275   83.690   88.571
LGA    E    96_B      E    96_B     1.079     0    0.441   0.999     5.567   77.619   60.952
LGA    D    97_B      D    97_B     1.560     0    0.205   0.161     2.202   75.000   72.917
LGA    G    98_B      G    98_B     0.863     0    0.020   0.020     1.112   90.595   90.595
LGA    Q    99_B      Q    99_B     0.609     0    0.073   1.002     3.771   95.238   81.534
LGA    Y   100_B      Y   100_B     0.278     0    0.044   0.056     1.030  100.000   92.897
LGA    Y   101_B      Y   101_B     0.289     0    0.015   0.030     1.196   95.238   91.310
LGA    I   102_B      I   102_B     0.606     0    0.027   0.110     1.047   95.238   91.726
LGA    T   103_B      T   103_B     0.590     0    0.047   0.063     0.710   90.476   90.476
LGA    N   104_B      N   104_B     0.897     1    0.023   0.425     1.618   88.214   75.833
LGA    T   105_B      T   105_B     1.211     0    0.017   0.110     1.418   81.429   81.429
LGA    A   106_B      A   106_B     1.227     0    0.008   0.020     1.699   77.143   78.000
LGA    A   107_B      A   107_B     1.481     0    0.032   0.033     1.686   75.000   76.286
LGA    L   108_B      L   108_B     3.037     0    0.157   1.289     6.763   65.238   48.274
LGA    A   109_B      A   109_B     3.494     0    0.162   0.211     4.851   50.000   46.286
LGA    A   110_B      A   110_B     3.052     0    0.636   0.583     4.895   42.143   45.143
LGA    A   111_B      A   111_B     6.619     0    0.057   0.077     9.089   30.476   24.667

# 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):     2.333          2.256                  2.523           77.128   73.221

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  111  105    4.0     99    1.64    81.667    81.088     5.675

LGA_LOCAL      RMSD:   1.644  Number of atoms:   99  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.373  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   2.333  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.200592 * X  +  -0.918480 * Y  +  -0.340819 * Z  +  17.596020
  Y_new =  -0.839110 * X  +  -0.340630 * Y  +   0.424105 * Z  + -53.810917
  Z_new =  -0.505626 * X  +   0.200913 * Y  +  -0.839033 * Z  + -14.137177 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.336146  0.530107  2.906561   [DEG:  -76.5555   30.3729  166.5337 ]
ZXZ: -2.464649  2.566300 -1.192573   [DEG: -141.2140  147.0382  -68.3294 ]
 
# END of job
