
#######################################################
#                                                     #
#                        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       2.18     2.18
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   102       9_B - 110_B       2.00     2.21
  LCS_AVERAGE:     96.23

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    59      28_B - 86_B        0.98     2.34
  LCS_AVERAGE:     42.14

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   46   81   90   99  100  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     P     8_B     P     8_B     15  101  105      6    9   32   61   88   93   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     K     9_B     K     9_B     15  102  105      7   27   61   85   90   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    10_B     V    10_B     43  102  105      6   23   54   85   90   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     Y    11_B     Y    11_B     43  102  105     17   68   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    12_B     A    12_B     43  102  105     21   68   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     P    13_B     P    13_B     43  102  105     15   69   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    14_B     V    14_B     43  102  105     39   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     T    15_B     T    15_B     43  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     T    16_B     T    16_B     43  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    17_B     G    17_B     43  102  105     33   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    18_B     A    18_B     43  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     D    19_B     D    19_B     43  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    20_B     G    20_B     43  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     K    21_B     K    21_B     43  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     L    22_B     L    22_B     43  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     S    23_B     S    23_B     43  102  105      5   12   59   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     L    24_B     L    24_B     43  102  105      6   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     S    25_B     S    25_B     43  102  105      5   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    26_B     V    26_B     43  102  105     39   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    27_B     G    27_B     43  102  105      3   15   43   85   90   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    28_B     G    28_B     59  102  105      3   22   76   85   90   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     Y    29_B     Y    29_B     59  102  105     39   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     K    30_B     K    30_B     59  102  105     37   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     K    31_B     K    31_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     T    32_B     T    32_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     F    33_B     F    33_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     T    34_B     T    34_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     K    35_B     K    35_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    36_B     V    36_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     D    37_B     D    37_B     59  102  105     39   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    38_B     A    38_B     59  102  105     34   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    39_B     A    39_B     59  102  105     23   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     T    40_B     T    40_B     59  102  105     15   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     K    41_B     K    41_B     59  102  105     36   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    42_B     A    42_B     59  102  105     39   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     P    43_B     P    43_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     L    44_B     L    44_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    45_B     A    45_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    46_B     G    46_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    47_B     A    47_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    48_B     V    48_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     F    49_B     F    49_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     Q    50_B     Q    50_B     59  102  105     15   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    51_B     V    51_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    52_B     V    52_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     E    53_B     E    53_B     59  102  105     13   62   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     K    54_B     K    54_B     59  102  105      6   39   77   87   91   93   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     D    55_B     D    55_B     59  102  105      6   39   60   87   91   93   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    56_B     G    56_B     59  102  105      6   23   60   87   91   93   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     D    57_B     D    57_B     59  102  105      7   64   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     I    58_B     I    58_B     59  102  105     29   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     T    59_B     T    59_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     L    60_B     L    60_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     Y    61_B     Y    61_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     E    62_B     E    62_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     L    63_B     L    63_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     S    64_B     S    64_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     S    65_B     S    65_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     P    66_B     P    66_B     59  102  105     39   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    67_B     A    67_B     59  102  105     37   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    68_B     G    68_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     Y    69_B     Y    69_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    70_B     V    70_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     P    71_B     P    71_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    72_B     V    72_B     59  102  105     37   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     T    73_B     T    73_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     N    74_B     N    74_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     K    75_B     K    75_B     59  102  105     31   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     P    76_B     P    76_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     I    77_B     I    77_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     Y    78_B     Y    78_B     59  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     N    79_B     N    79_B     59  102  105     34   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     I    80_B     I    80_B     59  102  105     21   67   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     S    81_B     S    81_B     59  102  105     20   66   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     T    82_B     T    82_B     59  102  105     39   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    83_B     G    83_B     59  102  105     16   64   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     E    84_B     E    84_B     59  102  105     23   68   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    85_B     A    85_B     59  102  105     26   65   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     F    86_B     F    86_B     59  102  105      6   38   81   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     D    87_B     D    87_B     31  102  105      3    6   20   40   72   93   96  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     S    88_B     S    88_B      6  102  105      3    3   16   52   81   93   96  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    89_B     A    89_B      3  102  105      3    3    4    4    6    6   64   88   95   98  101  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    90_B     A    90_B      3  102  105      3    3    4    4    5    5    5   29   35   42   86   93   99  101  103  105  105  105  105  105 
LCS_GDT     A    91_B     A    91_B      3  102  105      3    3    4    4   15   33   51   79   91   98  100  103  104  104  104  105  105  105  105  105 
LCS_GDT     S    92_B     S    92_B     17  102  105     18   46   81   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    93_B     V    93_B     17  102  105     19   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    94_B     V    94_B     17  102  105     25   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     K    95_B     K    95_B     17  102  105     25   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     E    96_B     E    96_B     17  102  105     25   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     D    97_B     D    97_B     17  102  105     18   46   81   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    98_B     G    98_B     17  102  105     25   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     Q    99_B     Q    99_B     17  102  105     28   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     Y   100_B     Y   100_B     17  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     Y   101_B     Y   101_B     17  102  105     40   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     I   102_B     I   102_B     17  102  105     25   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     T   103_B     T   103_B     17  102  105     25   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     N   104_B     N   104_B     17  102  105     25   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     T   105_B     T   105_B     17  102  105     22   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A   106_B     A   106_B     17  102  105     31   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A   107_B     A   107_B     17  102  105     39   71   82   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     L   108_B     L   108_B     17  102  105      3   19   75   87   91   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A   109_B     A   109_B      6  102  105      3   31   51   77   90   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A   110_B     A   110_B      6  102  105      3   30   58   85   90   94   97  100  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_GDT     A   111_B     A   111_B      6   21  105      3   10   23   43   69   90   97   99  101  102  102  103  104  104  104  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  79.46  (  42.14   96.23  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     40     71     82     87     91     94     97    100    101    102    102    103    104    104    104    105    105    105    105    105 
GDT PERCENT_AT  38.10  67.62  78.10  82.86  86.67  89.52  92.38  95.24  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   0.58   0.74   0.84   0.98   1.18   1.29   1.49   1.58   1.69   1.69   1.82   1.95   1.95   1.95   2.18   2.18   2.18   2.18   2.18
GDT RMS_ALL_AT   2.25   2.30   2.30   2.29   2.35   2.22   2.24   2.21   2.21   2.20   2.20   2.19   2.19   2.19   2.19   2.18   2.18   2.18   2.18   2.18

# 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    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     6.690     0    0.069   1.102    10.595   19.048   10.582
LGA    P     8_B      P     8_B     4.410     0    0.087   0.329     6.278   35.952   30.544
LGA    K     9_B      K     9_B     3.053     0    0.026   0.855     3.293   55.476   57.302
LGA    V    10_B      V    10_B     2.891     0    0.006   0.063     4.726   57.262   49.592
LGA    Y    11_B      Y    11_B     1.109     0    0.049   0.228     1.837   79.286   81.548
LGA    A    12_B      A    12_B     1.156     0    0.026   0.033     1.217   81.429   81.429
LGA    P    13_B      P    13_B     1.038     0    0.047   0.365     1.440   85.952   84.014
LGA    V    14_B      V    14_B     0.473     0    0.071   1.042     2.736   97.619   87.279
LGA    T    15_B      T    15_B     0.268     0    0.049   0.080     0.718   97.619   98.639
LGA    T    16_B      T    16_B     0.201     0    0.017   0.062     0.405  100.000  100.000
LGA    G    17_B      G    17_B     0.634     0    0.053   0.053     0.634   97.619   97.619
LGA    A    18_B      A    18_B     0.442     0    0.023   0.027     0.625   97.619   96.190
LGA    D    19_B      D    19_B     0.495     0    0.097   0.163     1.299  100.000   94.107
LGA    G    20_B      G    20_B     0.201     0    0.012   0.012     0.427  100.000  100.000
LGA    K    21_B      K    21_B     0.601     0    0.063   0.696     1.940   92.857   88.677
LGA    L    22_B      L    22_B     0.504     0    0.136   1.028     4.306   88.214   79.345
LGA    S    23_B      S    23_B     2.233     0    0.255   0.255     4.441   70.833   60.635
LGA    L    24_B      L    24_B     1.130     0    0.041   0.094     1.656   81.429   79.286
LGA    S    25_B      S    25_B     0.951     0    0.270   0.711     3.296   88.214   79.286
LGA    V    26_B      V    26_B     0.486     0    0.122   1.111     3.875   88.333   79.932
LGA    G    27_B      G    27_B     3.292     0    0.621   0.621     5.591   44.881   44.881
LGA    G    28_B      G    28_B     2.333     0    0.073   0.073     2.333   68.810   68.810
LGA    Y    29_B      Y    29_B     0.734     0    0.519   0.827     3.122   78.095   84.127
LGA    K    30_B      K    30_B     0.862     0    0.030   0.242     4.521   95.238   74.868
LGA    K    31_B      K    31_B     0.318     0    0.084   0.453     1.218  100.000   93.704
LGA    T    32_B      T    32_B     0.374     0    0.054   1.078     2.969  100.000   87.483
LGA    F    33_B      F    33_B     0.444     0    0.017   0.200     1.378   95.238   89.784
LGA    T    34_B      T    34_B     0.535     0    0.032   0.064     0.706   95.238   94.558
LGA    K    35_B      K    35_B     0.428     0    0.036   0.485     1.468  100.000   91.693
LGA    V    36_B      V    36_B     0.362     0    0.031   0.035     0.609   95.238   97.279
LGA    D    37_B      D    37_B     0.686     0    0.020   0.556     1.888   90.476   88.274
LGA    A    38_B      A    38_B     0.892     0    0.055   0.064     1.081   88.214   88.667
LGA    A    39_B      A    39_B     1.146     0    0.083   0.080     1.245   83.690   83.238
LGA    T    40_B      T    40_B     1.167     0    0.009   0.072     1.211   81.429   81.429
LGA    K    41_B      K    41_B     0.781     0    0.119   1.362     6.862   88.214   68.836
LGA    A    42_B      A    42_B     0.555     0    0.013   0.024     0.860   97.619   96.190
LGA    P    43_B      P    43_B     0.282     0    0.009   0.344     1.402  100.000   95.986
LGA    L    44_B      L    44_B     0.285     0    0.142   0.164     0.677   97.619   98.810
LGA    A    45_B      A    45_B     0.371     0    0.029   0.038     0.437  100.000  100.000
LGA    G    46_B      G    46_B     0.432     0    0.042   0.042     0.432  100.000  100.000
LGA    A    47_B      A    47_B     0.197     0    0.077   0.092     0.467  100.000  100.000
LGA    V    48_B      V    48_B     0.172     0    0.030   0.076     0.418  100.000  100.000
LGA    F    49_B      F    49_B     0.472     0    0.057   0.133     0.828   95.238   92.208
LGA    Q    50_B      Q    50_B     0.836     0    0.027   0.455     2.218   95.238   81.958
LGA    V    51_B      V    51_B     0.522     0    0.007   1.205     2.972   95.238   85.918
LGA    V    52_B      V    52_B     0.494     0    0.149   1.070     3.283   95.238   84.830
LGA    E    53_B      E    53_B     2.037     0    0.046   0.901     3.736   66.786   59.947
LGA    K    54_B      K    54_B     2.836     0    0.021   1.086     8.122   53.571   41.534
LGA    D    55_B      D    55_B     3.598     0    0.053   0.103     3.901   45.000   44.167
LGA    G    56_B      G    56_B     3.401     0    0.284   0.284     4.086   46.786   46.786
LGA    D    57_B      D    57_B     2.094     0    0.114   0.254     2.421   66.786   68.810
LGA    I    58_B      I    58_B     1.106     0    0.060   0.632     3.287   81.429   77.500
LGA    T    59_B      T    59_B     0.563     0    0.067   1.076     2.510   95.238   84.762
LGA    L    60_B      L    60_B     0.465     0    0.014   0.124     0.700   97.619   94.048
LGA    Y    61_B      Y    61_B     0.093     0    0.077   0.190     1.350  100.000   92.976
LGA    E    62_B      E    62_B     0.229     0    0.018   0.250     0.774  100.000   98.942
LGA    L    63_B      L    63_B     0.271     0    0.083   1.120     2.374   97.619   88.810
LGA    S    64_B      S    64_B     0.399     0    0.033   0.595     1.854  100.000   93.889
LGA    S    65_B      S    65_B     0.301     0    0.021   0.687     2.125   97.619   92.540
LGA    P    66_B      P    66_B     0.699     0    0.033   0.058     0.837   92.857   91.837
LGA    A    67_B      A    67_B     0.834     0    0.012   0.019     1.046   90.476   88.667
LGA    G    68_B      G    68_B     0.311     0    0.030   0.030     0.478  100.000  100.000
LGA    Y    69_B      Y    69_B     0.474     0    0.055   0.144     0.849  100.000   93.651
LGA    V    70_B      V    70_B     0.382     0    0.019   0.047     0.640  100.000   97.279
LGA    P    71_B      P    71_B     0.464     0    0.111   0.119     0.784   97.619   94.558
LGA    V    72_B      V    72_B     0.661     0    0.035   0.300     1.247   95.238   91.905
LGA    T    73_B      T    73_B     0.312     0    0.020   0.969     2.182  100.000   91.088
LGA    N    74_B      N    74_B     0.430     0    0.028   0.856     2.546   92.976   81.190
LGA    K    75_B      K    75_B     0.946     0    0.067   1.066     7.465   92.857   64.497
LGA    P    76_B      P    76_B     0.639     0    0.030   0.085     1.107   92.857   89.252
LGA    I    77_B      I    77_B     0.291     0    0.155   1.520     3.334   97.619   82.798
LGA    Y    78_B      Y    78_B     0.369     0    0.037   0.155     1.047   97.619   93.690
LGA    N    79_B      N    79_B     0.787     0    0.050   0.337     1.839   88.214   84.881
LGA    I    80_B      I    80_B     1.272     0    0.021   0.599     2.149   79.286   77.202
LGA    S    81_B      S    81_B     1.637     0    0.020   0.442     1.809   77.143   75.714
LGA    T    82_B      T    82_B     0.765     0    0.048   0.054     1.046   88.214   91.905
LGA    G    83_B      G    83_B     1.214     0    0.144   0.144     1.828   81.548   81.548
LGA    E    84_B      E    84_B     1.101     0    0.031   0.711     3.061   85.952   73.492
LGA    A    85_B      A    85_B     0.914     0    0.025   0.028     1.304   85.952   86.857
LGA    F    86_B      F    86_B     1.908     0    0.053   0.169     2.867   67.143   77.100
LGA    D    87_B      D    87_B     4.191     0    0.632   1.266     8.192   45.119   28.274
LGA    S    88_B      S    88_B     4.285     0    0.655   0.636     6.188   37.262   32.937
LGA    A    89_B      A    89_B     7.085     0    0.174   0.187     9.164    8.690    7.238
LGA    A    90_B      A    90_B    10.547     0    0.058   0.072    12.584    1.071    0.857
LGA    A    91_B      A    91_B     7.215     0    0.662   0.597     8.638   15.119   12.667
LGA    S    92_B      S    92_B     1.913     0    0.688   0.886     3.263   69.286   69.127
LGA    V    93_B      V    93_B     1.257     0    0.019   0.109     2.038   77.143   75.374
LGA    V    94_B      V    94_B     1.212     0    0.042   1.088     3.641   83.690   76.054
LGA    K    95_B      K    95_B     1.062     0    0.016   0.188     1.331   81.429   85.450
LGA    E    96_B      E    96_B     1.192     0    0.440   0.866     4.839   79.524   61.376
LGA    D    97_B      D    97_B     1.908     0    0.182   0.155     2.506   70.833   66.845
LGA    G    98_B      G    98_B     1.200     0    0.026   0.026     1.437   88.333   88.333
LGA    Q    99_B      Q    99_B     0.773     0    0.040   0.988     4.273   92.857   81.746
LGA    Y   100_B      Y   100_B     0.178     0    0.044   0.061     0.806  100.000   94.444
LGA    Y   101_B      Y   101_B     0.330     0    0.019   0.033     1.138   95.238   91.310
LGA    I   102_B      I   102_B     0.875     0    0.016   0.103     1.338   90.476   87.083
LGA    T   103_B      T   103_B     0.999     0    0.039   0.152     1.133   85.952   84.014
LGA    N   104_B      N   104_B     1.220     1    0.013   0.554     1.452   81.429   71.250
LGA    T   105_B      T   105_B     1.386     0    0.009   0.050     1.890   81.429   77.755
LGA    A   106_B      A   106_B     0.996     0    0.008   0.023     1.436   83.690   83.238
LGA    A   107_B      A   107_B     0.800     0    0.056   0.079     2.001   81.786   81.714
LGA    L   108_B      L   108_B     2.501     0    0.121   1.373     6.595   71.071   55.119
LGA    A   109_B      A   109_B     3.502     0    0.125   0.165     4.909   55.595   50.762
LGA    A   110_B      A   110_B     3.031     0    0.648   0.602     5.346   40.833   41.333
LGA    A   111_B      A   111_B     5.808     0    0.037   0.050     7.957   42.262   35.238

# 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):     2.182          2.116                  2.397           81.980   77.551

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  111  105    4.0    100    1.49    86.429    90.895     6.303

LGA_LOCAL      RMSD:   1.486  Number of atoms:  100  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.210  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   2.182  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.759478 * X  +   0.287258 * Y  +  -0.583674 * Z  +  19.738062
  Y_new =   0.538740 * X  +  -0.225165 * Y  +  -0.811825 * Z  + -52.752590
  Z_new =  -0.364626 * X  +  -0.931012 * Y  +   0.016251 * Z  + -15.432684 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.524616  0.373231 -1.553343   [DEG:  144.6498   21.3846  -89.0000 ]
ZXZ: -0.623341  1.554545 -2.768310   [DEG:  -35.7148   89.0689 -158.6125 ]
 
# END of job
