
#######################################################
#                                                     #
#                        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       2.11     2.11
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       8_B - 110_B       1.97     2.13
  LONGEST_CONTINUOUS_SEGMENT:   103       9_B - 111_B       1.99     2.13
  LCS_AVERAGE:     97.91

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76      11_B - 86_B        0.97     2.21
  LCS_AVERAGE:     57.12

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   14   27   41   74   89   98  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     P     8_B     P     8_B     15  103  105      6    8   30   55   82   94   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     K     9_B     K     9_B     15  103  105      8   25   60   86   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    10_B     V    10_B     74  103  105      6   21   51   86   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     Y    11_B     Y    11_B     76  103  105     12   63   84   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    12_B     A    12_B     76  103  105     15   67   84   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     P    13_B     P    13_B     76  103  105      6   67   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    14_B     V    14_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     T    15_B     T    15_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     T    16_B     T    16_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    17_B     G    17_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    18_B     A    18_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     D    19_B     D    19_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    20_B     G    20_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     K    21_B     K    21_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     L    22_B     L    22_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     S    23_B     S    23_B     76  103  105      3    4   55   90   93   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     L    24_B     L    24_B     76  103  105      6   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     S    25_B     S    25_B     76  103  105      6   67   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    26_B     V    26_B     76  103  105     40   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    27_B     G    27_B     76  103  105      3   12   39   84   93   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    28_B     G    28_B     76  103  105      3   39   80   87   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     Y    29_B     Y    29_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     K    30_B     K    30_B     76  103  105     21   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     K    31_B     K    31_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     T    32_B     T    32_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     F    33_B     F    33_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     T    34_B     T    34_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     K    35_B     K    35_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    36_B     V    36_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     D    37_B     D    37_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    38_B     A    38_B     76  103  105     42   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    39_B     A    39_B     76  103  105     35   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     T    40_B     T    40_B     76  103  105     33   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     K    41_B     K    41_B     76  103  105     35   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    42_B     A    42_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     P    43_B     P    43_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     L    44_B     L    44_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    45_B     A    45_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    46_B     G    46_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    47_B     A    47_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    48_B     V    48_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     F    49_B     F    49_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     Q    50_B     Q    50_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    51_B     V    51_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    52_B     V    52_B     76  103  105     41   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     E    53_B     E    53_B     76  103  105     13   70   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     K    54_B     K    54_B     76  103  105     12   60   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     D    55_B     D    55_B     76  103  105     12   60   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    56_B     G    56_B     76  103  105     12   60   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     D    57_B     D    57_B     76  103  105     21   66   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     I    58_B     I    58_B     76  103  105     36   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     T    59_B     T    59_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     L    60_B     L    60_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     Y    61_B     Y    61_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     E    62_B     E    62_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     L    63_B     L    63_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     S    64_B     S    64_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     S    65_B     S    65_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     P    66_B     P    66_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    67_B     A    67_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    68_B     G    68_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     Y    69_B     Y    69_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    70_B     V    70_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     P    71_B     P    71_B     76  103  105     39   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    72_B     V    72_B     76  103  105     12   70   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     T    73_B     T    73_B     76  103  105     41   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     N    74_B     N    74_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     K    75_B     K    75_B     76  103  105     12   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     P    76_B     P    76_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     I    77_B     I    77_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     Y    78_B     Y    78_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     N    79_B     N    79_B     76  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     I    80_B     I    80_B     76  103  105     22   66   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     S    81_B     S    81_B     76  103  105     12   60   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     T    82_B     T    82_B     76  103  105     41   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    83_B     G    83_B     76  103  105     19   61   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     E    84_B     E    84_B     76  103  105     23   64   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    85_B     A    85_B     76  103  105     27   64   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     F    86_B     F    86_B     76  103  105      5   34   76   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     D    87_B     D    87_B     59  103  105      3    4   13   33   71   87   97  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     S    88_B     S    88_B      5  103  105      3    3   24   47   78   92   98  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    89_B     A    89_B      3  103  105      3    3    4    4    6    7   57   80   94   98  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    90_B     A    90_B      3  103  105      3    3    4    4    5    5    6   27   50   67   81   96  100  103  105  105  105  105  105  105 
LCS_GDT     A    91_B     A    91_B      3  103  105      3    3    4    4   12   34   50   82   95   99  101  103  104  104  105  105  105  105  105  105 
LCS_GDT     S    92_B     S    92_B     18  103  105     21   70   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    93_B     V    93_B     18  103  105     35   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    94_B     V    94_B     18  103  105     35   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     K    95_B     K    95_B     18  103  105     35   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     E    96_B     E    96_B     18  103  105     31   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     D    97_B     D    97_B     18  103  105     10   36   81   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    98_B     G    98_B     18  103  105     31   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     Q    99_B     Q    99_B     18  103  105     41   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     Y   100_B     Y   100_B     18  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     Y   101_B     Y   101_B     18  103  105     46   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     I   102_B     I   102_B     18  103  105     35   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     T   103_B     T   103_B     18  103  105     35   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     N   104_B     N   104_B     18  103  105     35   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     T   105_B     T   105_B     18  103  105     28   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A   106_B     A   106_B     18  103  105     23   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A   107_B     A   107_B     18  103  105     44   71   85   90   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     L   108_B     L   108_B     18  103  105      3   16   74   88   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A   109_B     A   109_B     18  103  105      3   21   49   86   94   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A   110_B     A   110_B      6  103  105      3   31   66   86   93   97   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A   111_B     A   111_B      6  103  105      3    5    9   52   69   96   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  85.01  (  57.12   97.91  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     46     71     85     90     94     97     99    101    102    102    103    103    104    104    105    105    105    105    105    105 
GDT PERCENT_AT  43.81  67.62  80.95  85.71  89.52  92.38  94.29  96.19  97.14  97.14  98.10  98.10  99.05  99.05 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.55   0.75   0.87   1.09   1.19   1.36   1.49   1.62   1.62   1.75   1.75   1.87   1.87   2.11   2.11   2.11   2.11   2.11   2.11
GDT RMS_ALL_AT   2.23   2.28   2.29   2.27   2.20   2.18   2.16   2.14   2.13   2.13   2.12   2.12   2.12   2.12   2.11   2.11   2.11   2.11   2.11   2.11

# 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     6.639     0    0.078   1.100    10.280   19.048   10.688
LGA    P     8_B      P     8_B     4.402     0    0.089   0.108     6.221   37.500   31.429
LGA    K     9_B      K     9_B     2.982     0    0.028   0.855     3.272   57.262   58.095
LGA    V    10_B      V    10_B     2.805     0    0.012   0.078     4.650   59.048   50.612
LGA    Y    11_B      Y    11_B     1.073     0    0.059   0.259     1.961   81.429   80.833
LGA    A    12_B      A    12_B     1.047     0    0.030   0.038     1.106   81.429   83.238
LGA    P    13_B      P    13_B     1.003     0    0.048   0.359     1.321   85.952   84.014
LGA    V    14_B      V    14_B     0.437     0    0.080   1.069     2.905   97.619   87.279
LGA    T    15_B      T    15_B     0.245     0    0.039   0.065     0.423  100.000  100.000
LGA    T    16_B      T    16_B     0.292     0    0.016   0.069     0.396  100.000  100.000
LGA    G    17_B      G    17_B     0.411     0    0.045   0.045     0.411  100.000  100.000
LGA    A    18_B      A    18_B     0.472     0    0.023   0.024     0.733   95.238   94.286
LGA    D    19_B      D    19_B     0.616     0    0.081   0.133     1.128   97.619   92.917
LGA    G    20_B      G    20_B     0.301     0    0.020   0.020     0.458  100.000  100.000
LGA    K    21_B      K    21_B     0.686     0    0.063   0.549     2.398   90.476   87.778
LGA    L    22_B      L    22_B     0.622     0    0.119   1.033     4.556   88.214   77.619
LGA    S    23_B      S    23_B     2.381     0    0.252   0.252     4.622   68.810   58.333
LGA    L    24_B      L    24_B     1.282     0    0.042   0.100     1.710   79.286   78.214
LGA    S    25_B      S    25_B     1.177     0    0.303   0.725     3.761   88.333   78.254
LGA    V    26_B      V    26_B     0.397     0    0.110   1.015     2.773   86.071   80.612
LGA    G    27_B      G    27_B     3.039     0    0.632   0.632     5.542   48.571   48.571
LGA    G    28_B      G    28_B     1.785     0    0.072   0.072     1.785   77.143   77.143
LGA    Y    29_B      Y    29_B     0.442     0    0.515   0.826     2.826   82.262   87.817
LGA    K    30_B      K    30_B     1.155     0    0.026   0.260     5.094   88.214   67.778
LGA    K    31_B      K    31_B     0.184     0    0.089   0.411     1.029   97.619   92.646
LGA    T    32_B      T    32_B     0.355     0    0.047   1.077     2.833  100.000   86.395
LGA    F    33_B      F    33_B     0.475     0    0.023   0.191     1.406   95.238   88.918
LGA    T    34_B      T    34_B     0.471     0    0.030   0.066     0.779   97.619   94.558
LGA    K    35_B      K    35_B     0.314     0    0.037   0.458     1.471  100.000   91.693
LGA    V    36_B      V    36_B     0.515     0    0.032   0.037     0.726   92.857   93.197
LGA    D    37_B      D    37_B     0.823     0    0.021   0.509     1.875   90.476   89.464
LGA    A    38_B      A    38_B     0.992     0    0.042   0.050     1.137   85.952   85.048
LGA    A    39_B      A    39_B     1.221     0    0.089   0.086     1.351   81.429   81.429
LGA    T    40_B      T    40_B     1.219     0    0.011   0.072     1.259   81.429   81.429
LGA    K    41_B      K    41_B     0.846     0    0.119   1.357     6.855   88.214   68.836
LGA    A    42_B      A    42_B     0.672     0    0.013   0.023     0.957   90.476   90.476
LGA    P    43_B      P    43_B     0.434     0    0.011   0.343     1.510   95.238   92.041
LGA    L    44_B      L    44_B     0.378     0    0.133   0.152     0.735   97.619   96.429
LGA    A    45_B      A    45_B     0.219     0    0.028   0.036     0.256  100.000  100.000
LGA    G    46_B      G    46_B     0.274     0    0.038   0.038     0.274  100.000  100.000
LGA    A    47_B      A    47_B     0.268     0    0.080   0.094     0.657   97.619   98.095
LGA    V    48_B      V    48_B     0.316     0    0.009   0.047     0.524  100.000   98.639
LGA    F    49_B      F    49_B     0.484     0    0.045   0.178     0.940  100.000   93.939
LGA    Q    50_B      Q    50_B     0.433     0    0.028   0.421     1.140   97.619   92.698
LGA    V    51_B      V    51_B     0.627     0    0.022   1.201     2.664   95.238   84.762
LGA    V    52_B      V    52_B     0.513     0    0.152   1.091     3.195   92.857   83.469
LGA    E    53_B      E    53_B     1.836     0    0.064   0.682     3.657   75.000   61.429
LGA    K    54_B      K    54_B     2.267     0    0.040   1.068     7.049   62.857   50.265
LGA    D    55_B      D    55_B     2.376     0    0.090   0.161     2.492   64.762   64.762
LGA    G    56_B      G    56_B     2.359     0    0.330   0.330     3.257   61.071   61.071
LGA    D    57_B      D    57_B     1.732     0    0.120   0.741     2.503   70.833   69.881
LGA    I    58_B      I    58_B     1.212     0    0.057   0.570     3.302   79.286   76.429
LGA    T    59_B      T    59_B     0.775     0    0.075   1.051     2.502   92.857   83.401
LGA    L    60_B      L    60_B     0.645     0    0.025   0.142     0.873   95.238   92.857
LGA    Y    61_B      Y    61_B     0.370     0    0.063   0.191     1.290  100.000   91.429
LGA    E    62_B      E    62_B     0.086     0    0.023   0.235     0.736   97.619   97.884
LGA    L    63_B      L    63_B     0.424     0    0.079   1.147     2.413   97.619   87.679
LGA    S    64_B      S    64_B     0.490     0    0.030   0.593     2.028   97.619   90.952
LGA    S    65_B      S    65_B     0.475     0    0.027   0.704     2.318   95.238   90.952
LGA    P    66_B      P    66_B     0.632     0    0.042   0.051     0.684   90.476   90.476
LGA    A    67_B      A    67_B     0.811     0    0.021   0.024     0.958   90.476   90.476
LGA    G    68_B      G    68_B     0.528     0    0.032   0.032     0.610   90.476   90.476
LGA    Y    69_B      Y    69_B     0.643     0    0.057   0.137     0.921   90.476   90.476
LGA    V    70_B      V    70_B     0.508     0    0.020   0.053     0.727   92.857   91.837
LGA    P    71_B      P    71_B     0.831     0    0.103   0.109     1.156   90.476   87.891
LGA    V    72_B      V    72_B     0.968     0    0.012   0.312     1.491   88.214   86.599
LGA    T    73_B      T    73_B     0.309     0    0.026   0.968     2.103   95.238   87.211
LGA    N    74_B      N    74_B     0.817     0    0.037   0.819     2.243   86.190   78.571
LGA    K    75_B      K    75_B     1.402     0    0.089   1.058     7.951   85.952   58.254
LGA    P    76_B      P    76_B     0.956     0    0.037   0.092     1.439   88.214   85.306
LGA    I    77_B      I    77_B     0.304     0    0.158   1.505     3.444   97.619   81.726
LGA    Y    78_B      Y    78_B     0.351     0    0.054   0.170     1.053   97.619   93.690
LGA    N    79_B      N    79_B     0.781     0    0.039   0.201     1.680   90.595   85.000
LGA    I    80_B      I    80_B     1.343     0    0.022   0.613     2.283   77.143   77.202
LGA    S    81_B      S    81_B     1.821     0    0.045   0.507     2.145   77.143   74.365
LGA    T    82_B      T    82_B     0.802     0    0.063   0.066     1.135   88.214   90.544
LGA    G    83_B      G    83_B     1.308     0    0.159   0.159     1.993   79.286   79.286
LGA    E    84_B      E    84_B     1.258     0    0.035   0.704     3.147   83.690   73.333
LGA    A    85_B      A    85_B     0.998     0    0.014   0.020     1.526   81.548   83.333
LGA    F    86_B      F    86_B     2.121     0    0.204   0.258     3.435   61.190   75.801
LGA    D    87_B      D    87_B     4.619     0    0.622   1.134     8.420   42.024   26.131
LGA    S    88_B      S    88_B     4.334     0    0.649   0.606     6.146   35.833   31.984
LGA    A    89_B      A    89_B     7.201     0    0.183   0.196     9.298    8.690    7.238
LGA    A    90_B      A    90_B    10.553     0    0.072   0.085    12.467    1.071    0.857
LGA    A    91_B      A    91_B     7.023     0    0.672   0.608     8.375   18.214   15.524
LGA    S    92_B      S    92_B     1.600     0    0.695   0.637     3.034   71.429   70.556
LGA    V    93_B      V    93_B     1.211     0    0.020   0.103     1.868   79.286   77.755
LGA    V    94_B      V    94_B     1.174     0    0.034   1.088     3.565   83.690   76.054
LGA    K    95_B      K    95_B     1.039     0    0.021   0.199     1.330   81.429   87.566
LGA    E    96_B      E    96_B     1.162     0    0.442   0.857     4.813   79.524   62.116
LGA    D    97_B      D    97_B     1.832     0    0.141   0.830     2.483   70.833   67.798
LGA    G    98_B      G    98_B     0.988     0    0.018   0.018     1.279   90.595   90.595
LGA    Q    99_B      Q    99_B     0.732     0    0.060   0.972     4.345   92.857   81.746
LGA    Y   100_B      Y   100_B     0.298     0    0.033   0.041     0.893  100.000   93.651
LGA    Y   101_B      Y   101_B     0.418     0    0.014   0.051     1.247   95.238   91.310
LGA    I   102_B      I   102_B     0.854     0    0.027   0.110     1.266   90.476   88.214
LGA    T   103_B      T   103_B     0.979     0    0.044   0.082     1.149   85.952   84.014
LGA    N   104_B      N   104_B     1.281     1    0.015   0.541     1.560   81.429   70.179
LGA    T   105_B      T   105_B     1.489     0    0.004   0.051     1.986   81.429   77.755
LGA    A   106_B      A   106_B     1.135     0    0.010   0.024     1.604   79.286   79.714
LGA    A   107_B      A   107_B     1.033     0    0.070   0.101     2.034   77.262   79.905
LGA    L   108_B      L   108_B     2.542     0    0.105   0.995     7.197   73.333   49.405
LGA    A   109_B      A   109_B     2.882     0    0.109   0.145     4.290   65.119   59.524
LGA    A   110_B      A   110_B     2.420     0    0.653   0.611     4.822   52.738   50.857
LGA    A   111_B      A   111_B     4.615     0    0.036   0.049     6.681   55.595   47.143

# 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):     2.114          2.046                  2.358           81.842   77.506

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  111  105    4.0    101    1.49    87.381    92.356     6.351

LGA_LOCAL      RMSD:   1.490  Number of atoms:  101  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.140  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   2.114  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.758706 * X  +  -0.010921 * Y  +  -0.651341 * Z  +  19.680283
  Y_new =   0.615600 * X  +  -0.339063 * Y  +  -0.711388 * Z  + -52.873985
  Z_new =  -0.213077 * X  +  -0.940700 * Y  +   0.263972 * Z  + -15.022312 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.459951  0.214723 -1.297220   [DEG:  140.9448   12.3027  -74.3252 ]
ZXZ: -0.741363  1.303658 -2.918843   [DEG:  -42.4770   74.6941 -167.2374 ]
 
# END of job
