
#######################################################
#                                                     #
#                        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       2.85     2.85
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       8_B - 108_B       1.98     2.98
  LCS_AVERAGE:     93.41

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    70      13_B - 82_B        0.99     3.01
  LCS_AVERAGE:     51.02

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   17   33   58   78   92   96   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     P     8_B     P     8_B     15  101  105      6    9   32   61   87   93   94   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     K     9_B     K     9_B     15  101  105      6   20   62   85   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     V    10_B     V    10_B     44  101  105      6   17   51   84   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     Y    11_B     Y    11_B     44  101  105     15   60   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A    12_B     A    12_B     44  101  105     13   60   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     P    13_B     P    13_B     70  101  105     13   65   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     V    14_B     V    14_B     70  101  105     27   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     T    15_B     T    15_B     70  101  105     37   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     T    16_B     T    16_B     70  101  105     37   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     G    17_B     G    17_B     70  101  105     13   60   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A    18_B     A    18_B     70  101  105     22   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     D    19_B     D    19_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     G    20_B     G    20_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     K    21_B     K    21_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     L    22_B     L    22_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     S    23_B     S    23_B     70  101  105      4    5   70   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     L    24_B     L    24_B     70  101  105      4   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     S    25_B     S    25_B     70  101  105      4   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     V    26_B     V    26_B     70  101  105     36   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     G    27_B     G    27_B     70  101  105      3   30   65   85   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     G    28_B     G    28_B     70  101  105      3   44   80   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     Y    29_B     Y    29_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     K    30_B     K    30_B     70  101  105     34   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     K    31_B     K    31_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     T    32_B     T    32_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     F    33_B     F    33_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     T    34_B     T    34_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     K    35_B     K    35_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     V    36_B     V    36_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     D    37_B     D    37_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A    38_B     A    38_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A    39_B     A    39_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     T    40_B     T    40_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     K    41_B     K    41_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A    42_B     A    42_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     P    43_B     P    43_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     L    44_B     L    44_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A    45_B     A    45_B     70  101  105     36   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     G    46_B     G    46_B     70  101  105     19   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A    47_B     A    47_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     V    48_B     V    48_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     F    49_B     F    49_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     Q    50_B     Q    50_B     70  101  105     14   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     V    51_B     V    51_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     V    52_B     V    52_B     70  101  105     28   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     E    53_B     E    53_B     70  101  105     14   63   81   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     K    54_B     K    54_B     70  101  105     16   31   78   87   91   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     D    55_B     D    55_B     70  101  105      9   31   60   86   91   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     G    56_B     G    56_B     70  101  105      9   22   66   86   91   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     D    57_B     D    57_B     70  101  105     10   57   80   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     I    58_B     I    58_B     70  101  105     27   66   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     T    59_B     T    59_B     70  101  105     36   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     L    60_B     L    60_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     Y    61_B     Y    61_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     E    62_B     E    62_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     L    63_B     L    63_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     S    64_B     S    64_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     S    65_B     S    65_B     70  101  105     35   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     P    66_B     P    66_B     70  101  105     17   65   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A    67_B     A    67_B     70  101  105     16   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     G    68_B     G    68_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     Y    69_B     Y    69_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     V    70_B     V    70_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     P    71_B     P    71_B     70  101  105      4   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     V    72_B     V    72_B     70  101  105      7   66   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     T    73_B     T    73_B     70  101  105     27   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     N    74_B     N    74_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     K    75_B     K    75_B     70  101  105      5   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     P    76_B     P    76_B     70  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     I    77_B     I    77_B     70  101  105     37   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     Y    78_B     Y    78_B     70  101  105     37   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     N    79_B     N    79_B     70  101  105     30   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     I    80_B     I    80_B     70  101  105     24   66   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     S    81_B     S    81_B     70  101  105     16   64   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     T    82_B     T    82_B     70  101  105     29   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     G    83_B     G    83_B     59  101  105      8   56   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     E    84_B     E    84_B     59  101  105     17   58   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A    85_B     A    85_B     59  101  105     19   64   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     F    86_B     F    86_B     59  101  105      4   32   76   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     D    87_B     D    87_B      6  101  105      3    5   14   31   66   86   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     S    88_B     S    88_B      6  101  105      3    7   15   42   75   91   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A    89_B     A    89_B      3  101  105      3    3    4    4    5   36   70   87   94   97   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A    90_B     A    90_B      3  101  105      3    3    4    4    4    5    6   25   40   43   86   93   97  101  102  102  102  102  104  104 
LCS_GDT     A    91_B     A    91_B      3  101  105      3    3    4    5   27   33   59   84   94   98   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     S    92_B     S    92_B     17  101  105     22   59   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     V    93_B     V    93_B     17  101  105     22   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     V    94_B     V    94_B     17  101  105     22   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     K    95_B     K    95_B     17  101  105     22   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     E    96_B     E    96_B     17  101  105     22   67   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     D    97_B     D    97_B     17  101  105     16   56   81   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     G    98_B     G    98_B     17  101  105     35   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     Q    99_B     Q    99_B     17  101  105     37   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     Y   100_B     Y   100_B     17  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     Y   101_B     Y   101_B     17  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     I   102_B     I   102_B     17  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     T   103_B     T   103_B     17  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     N   104_B     N   104_B     17  101  105     31   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     T   105_B     T   105_B     17  101  105     20   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A   106_B     A   106_B     17  101  105     31   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A   107_B     A   107_B     17  101  105     38   68   82   87   92   93   96   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     L   108_B     L   108_B     17  101  105      3   37   76   87   92   93   95   98   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A   109_B     A   109_B      3    5  105      3    4    4    5    6    6   34   41   46   81   85   94  101  101  102  103  103  103  104  104 
LCS_GDT     A   110_B     A   110_B      3    5  105      3    3    4    5   23   31   58   67   73   81   85   94  101  101  102  103  103  103  104  104 
LCS_GDT     A   111_B     A   111_B      3    5  105      3    3    3    5    6    6    8   38   46   52   64   67   71   74   80   94  102  102  102  104 
LCS_AVERAGE  LCS_A:  81.48  (  51.02   93.41  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     38     68     82     87     92     93     96     98     98     99     99    101    101    101    102    103    103    103    104    104 
GDT PERCENT_AT  36.19  64.76  78.10  82.86  87.62  88.57  91.43  93.33  93.33  94.29  94.29  96.19  96.19  96.19  97.14  98.10  98.10  98.10  99.05  99.05
GDT RMS_LOCAL    0.32   0.60   0.76   0.87   1.08   1.11   1.33   1.42   1.42   1.56   1.56   1.82   1.82   1.82   2.07   2.26   2.26   2.26   2.48   2.48
GDT RMS_ALL_AT   2.99   2.99   2.97   3.01   2.93   2.93   2.97   2.94   2.94   2.91   2.91   2.94   2.94   2.94   2.88   2.86   2.86   2.86   2.87   2.87

# Checking swapping
#   possible swapping detected:  F    33_B      F    33_B
#   possible swapping detected:  F    49_B      F    49_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:  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     6.678     0    0.037   1.608    12.789   19.881   10.265
LGA    P     8_B      P     8_B     4.543     0    0.146   0.153     6.384   31.786   26.803
LGA    K     9_B      K     9_B     3.276     0    0.009   0.796     3.454   55.476   58.942
LGA    V    10_B      V    10_B     3.098     0    0.011   0.048     4.980   51.786   44.694
LGA    Y    11_B      Y    11_B     1.260     0    0.067   0.145     1.645   79.286   83.016
LGA    A    12_B      A    12_B     1.295     0    0.011   0.011     1.346   81.429   81.429
LGA    P    13_B      P    13_B     1.088     0    0.038   0.348     1.425   85.952   84.014
LGA    V    14_B      V    14_B     0.570     0    0.045   1.038     2.709   95.238   87.143
LGA    T    15_B      T    15_B     0.500     0    0.059   0.077     1.094   92.976   94.626
LGA    T    16_B      T    16_B     0.489     0    0.011   0.034     0.912   95.238   97.279
LGA    G    17_B      G    17_B     1.213     0    0.056   0.056     1.213   88.214   88.214
LGA    A    18_B      A    18_B     0.819     0    0.009   0.008     1.006   92.857   90.571
LGA    D    19_B      D    19_B     0.436     0    0.089   0.125     1.455  100.000   91.845
LGA    G    20_B      G    20_B     0.248     0    0.031   0.031     0.271  100.000  100.000
LGA    K    21_B      K    21_B     0.485     0    0.029   0.755     2.128   95.238   88.995
LGA    L    22_B      L    22_B     0.508     0    0.099   1.027     4.471   88.214   78.333
LGA    S    23_B      S    23_B     2.079     0    0.277   0.273     4.091   70.833   61.746
LGA    L    24_B      L    24_B     1.082     0    0.051   0.087     1.527   81.429   80.357
LGA    S    25_B      S    25_B     0.943     0    0.270   0.685     3.194   88.214   80.714
LGA    V    26_B      V    26_B     0.679     0    0.091   0.154     1.948   85.952   81.565
LGA    G    27_B      G    27_B     2.717     0    0.609   0.609     5.265   51.548   51.548
LGA    G    28_B      G    28_B     1.912     0    0.010   0.010     1.912   75.000   75.000
LGA    Y    29_B      Y    29_B     0.855     0    0.524   0.786     3.147   78.095   82.619
LGA    K    30_B      K    30_B     0.829     0    0.033   0.279     4.755   95.238   74.868
LGA    K    31_B      K    31_B     0.393     0    0.068   0.487     1.395  100.000   92.698
LGA    T    32_B      T    32_B     0.407     0    0.056   1.088     2.968  100.000   86.395
LGA    F    33_B      F    33_B     0.401     0    0.021   0.160     1.434  100.000   91.515
LGA    T    34_B      T    34_B     0.360     0    0.019   0.020     0.517  100.000   98.639
LGA    K    35_B      K    35_B     0.334     0    0.043   0.493     1.202  100.000   95.820
LGA    V    36_B      V    36_B     0.330     0    0.020   0.032     0.388  100.000  100.000
LGA    D    37_B      D    37_B     0.418     0    0.036   0.312     1.232  100.000   96.488
LGA    A    38_B      A    38_B     0.498     0    0.045   0.048     0.539   95.238   94.286
LGA    A    39_B      A    39_B     0.705     0    0.078   0.083     0.826   90.476   90.476
LGA    T    40_B      T    40_B     0.877     0    0.028   0.044     0.916   90.476   90.476
LGA    K    41_B      K    41_B     0.487     0    0.091   1.432     6.753   95.238   76.508
LGA    A    42_B      A    42_B     0.556     0    0.014   0.015     0.765   92.857   92.381
LGA    P    43_B      P    43_B     0.373     0    0.011   0.323     1.347  100.000   95.986
LGA    L    44_B      L    44_B     0.389     0    0.116   0.162     0.675   97.619   96.429
LGA    A    45_B      A    45_B     0.597     0    0.034   0.045     0.719   92.857   92.381
LGA    G    46_B      G    46_B     0.924     0    0.065   0.065     0.924   90.476   90.476
LGA    A    47_B      A    47_B     0.427     0    0.094   0.120     0.599   97.619   98.095
LGA    V    48_B      V    48_B     0.231     0    0.043   0.065     0.408  100.000  100.000
LGA    F    49_B      F    49_B     0.484     0    0.036   0.070     0.859   92.857   92.208
LGA    Q    50_B      Q    50_B     0.832     0    0.032   0.346     2.105   95.238   81.958
LGA    V    51_B      V    51_B     0.508     0    0.015   1.190     3.001   92.857   82.245
LGA    V    52_B      V    52_B     0.595     0    0.136   1.103     3.432   92.857   84.762
LGA    E    53_B      E    53_B     1.787     0    0.064   0.917     3.689   70.952   63.492
LGA    K    54_B      K    54_B     2.640     0    0.027   0.936     7.009   57.262   43.757
LGA    D    55_B      D    55_B     3.434     0    0.000   0.123     3.749   48.333   45.833
LGA    G    56_B      G    56_B     3.239     0    0.246   0.246     3.944   48.333   48.333
LGA    D    57_B      D    57_B     2.132     0    0.106   0.403     2.367   66.786   67.798
LGA    I    58_B      I    58_B     1.193     0    0.012   0.612     3.399   81.429   76.429
LGA    T    59_B      T    59_B     0.692     0    0.042   1.041     2.513   92.857   83.401
LGA    L    60_B      L    60_B     0.405     0    0.035   0.137     0.725   97.619   95.238
LGA    Y    61_B      Y    61_B     0.186     0    0.053   0.190     1.279  100.000   93.730
LGA    E    62_B      E    62_B     0.232     0    0.028   0.144     0.532  100.000   98.942
LGA    L    63_B      L    63_B     0.191     0    0.058   1.124     2.532  100.000   89.048
LGA    S    64_B      S    64_B     0.103     0    0.038   0.569     1.907  100.000   95.476
LGA    S    65_B      S    65_B     0.544     0    0.014   0.699     2.170   92.857   87.778
LGA    P    66_B      P    66_B     0.996     0    0.034   0.055     1.327   92.857   87.959
LGA    A    67_B      A    67_B     0.952     0    0.010   0.013     1.286   88.214   86.857
LGA    G    68_B      G    68_B     0.269     0    0.035   0.035     0.570   97.619   97.619
LGA    Y    69_B      Y    69_B     0.284     0    0.056   0.100     1.001  100.000   93.690
LGA    V    70_B      V    70_B     0.228     0    0.023   0.038     0.691   97.619   97.279
LGA    P    71_B      P    71_B     0.873     0    0.025   0.061     1.166   92.857   89.252
LGA    V    72_B      V    72_B     1.048     0    0.015   0.265     1.466   85.952   84.014
LGA    T    73_B      T    73_B     0.714     0    0.052   0.959     1.929   95.238   88.163
LGA    N    74_B      N    74_B     0.304     0    0.015   0.833     2.183   97.619   86.488
LGA    K    75_B      K    75_B     1.149     0    0.095   1.008     7.506   88.214   59.259
LGA    P    76_B      P    76_B     0.581     0    0.015   0.043     1.217   92.857   89.252
LGA    I    77_B      I    77_B     0.306     0    0.199   1.519     3.233   97.619   82.798
LGA    Y    78_B      Y    78_B     0.344     0    0.019   0.174     1.166   97.619   92.937
LGA    N    79_B      N    79_B     0.730     0    0.030   0.310     1.702   92.857   87.202
LGA    I    80_B      I    80_B     1.160     0    0.036   0.616     2.141   83.690   80.476
LGA    S    81_B      S    81_B     1.486     0    0.039   0.050     1.931   81.429   78.571
LGA    T    82_B      T    82_B     0.717     0    0.026   0.045     1.082   88.214   89.184
LGA    G    83_B      G    83_B     1.377     0    0.101   0.101     1.941   79.286   79.286
LGA    E    84_B      E    84_B     1.352     0    0.031   0.042     3.861   81.429   65.767
LGA    A    85_B      A    85_B     0.943     0    0.008   0.008     1.429   85.952   86.857
LGA    F    86_B      F    86_B     2.039     0    0.089   0.155     3.133   61.190   73.377
LGA    D    87_B      D    87_B     4.549     0    0.641   1.071     7.844   42.024   27.143
LGA    S    88_B      S    88_B     4.355     0    0.643   0.599     6.318   37.262   32.063
LGA    A    89_B      A    89_B     7.092     0    0.222   0.227     9.072    8.690    7.238
LGA    A    90_B      A    90_B    10.457     0    0.012   0.013    12.606    1.071    0.857
LGA    A    91_B      A    91_B     6.872     0    0.686   0.623     8.260   19.048   16.190
LGA    S    92_B      S    92_B     1.543     0    0.693   0.889     2.965   73.214   70.476
LGA    V    93_B      V    93_B     1.196     0    0.050   0.099     1.898   79.286   77.755
LGA    V    94_B      V    94_B     1.303     0    0.044   1.089     3.393   83.690   77.007
LGA    K    95_B      K    95_B     1.232     0    0.027   0.105     1.495   81.429   85.450
LGA    E    96_B      E    96_B     1.335     0    0.443   0.875     5.050   79.524   60.106
LGA    D    97_B      D    97_B     1.843     0    0.143   0.119     2.379   70.833   68.810
LGA    G    98_B      G    98_B     0.866     0    0.094   0.094     1.214   92.976   92.976
LGA    Q    99_B      Q    99_B     0.505     0    0.068   0.964     3.160   95.238   81.429
LGA    Y   100_B      Y   100_B     0.359     0    0.018   0.060     1.318  100.000   90.635
LGA    Y   101_B      Y   101_B     0.367     0    0.012   0.021     1.074   95.238   91.310
LGA    I   102_B      I   102_B     0.611     0    0.034   0.091     1.036   92.857   90.536
LGA    T   103_B      T   103_B     0.726     0    0.037   0.092     0.814   90.476   90.476
LGA    N   104_B      N   104_B     0.916     1    0.019   0.507     1.454   90.476   76.905
LGA    T   105_B      T   105_B     1.255     0    0.009   0.017     1.623   83.690   81.497
LGA    A   106_B      A   106_B     1.002     0    0.027   0.036     1.269   81.429   81.429
LGA    A   107_B      A   107_B     0.805     0    0.632   0.587     3.640   74.286   77.524
LGA    L   108_B      L   108_B     2.577     0    0.582   1.480     6.567   42.381   54.821
LGA    A   109_B      A   109_B     9.950     0    0.214   0.277    12.259    2.976    2.381
LGA    A   110_B      A   110_B    10.349     0    0.629   0.590    11.910    0.119    0.190
LGA    A   111_B      A   111_B    15.796     0    0.072   0.100    18.549    0.000    0.000

# 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):     2.849          2.790                  2.881           80.472   76.339

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  111  105    4.0     98    1.42    84.762    89.089     6.429

LGA_LOCAL      RMSD:   1.424  Number of atoms:   98  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.937  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   2.849  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.001202 * X  +  -0.920548 * Y  +   0.390628 * Z  +  18.012138
  Y_new =   0.890627 * X  +  -0.178618 * Y  +  -0.418186 * Z  + -53.787800
  Z_new =   0.454734 * X  +   0.347401 * Y  +   0.820079 * Z  + -13.932502 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.572146 -0.472073  0.400700   [DEG:   90.0774  -27.0478   22.9584 ]
ZXZ:  0.751339  0.609247  0.918417   [DEG:   43.0485   34.9073   52.6214 ]
 
# END of job
