
#######################################################
#                                                     #
#                        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:    89      23_B - 111_B       4.97    15.59
  LCS_AVERAGE:     74.19

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    60      30_B - 89_B        1.95    16.11
  LCS_AVERAGE:     38.58

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      31_B - 53_B        0.85    16.39
  LONGEST_CONTINUOUS_SEGMENT:    23      57_B - 79_B        0.76    16.65
  LONGEST_CONTINUOUS_SEGMENT:    23      58_B - 80_B        0.97    16.40
  LCS_AVERAGE:     14.53

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      5    8   15      5    5    5    6    7    8   10   11   12   14   14   14   14   15   15   15   15   16   16   16 
LCS_GDT     P     8_B     P     8_B      5    9   15      5    5    5    6    9    9   10   11   12   14   14   14   14   15   15   15   15   16   16   16 
LCS_GDT     K     9_B     K     9_B      5    9   15      5    5    5    7    9    9   10   11   12   14   14   14   14   15   15   15   15   16   16   16 
LCS_GDT     V    10_B     V    10_B      7    9   15      5    5    7    8    9    9   10   11   12   14   14   14   14   15   15   15   15   16   16   16 
LCS_GDT     Y    11_B     Y    11_B      7    9   15      5    6    7    8    9    9   10   11   12   14   14   14   14   15   15   15   15   16   16   16 
LCS_GDT     A    12_B     A    12_B      7    9   15      4    6    7    8    9    9   10   11   12   14   14   14   14   15   15   15   15   17   19   20 
LCS_GDT     P    13_B     P    13_B      7    9   15      4    6    7    8    9    9   10   11   12   14   14   14   14   15   15   15   16   18   19   20 
LCS_GDT     V    14_B     V    14_B      7    9   17      3    6    7    8    9    9   10   11   12   14   14   14   14   15   17   18   18   21   22   22 
LCS_GDT     T    15_B     T    15_B      7    9   17      3    6    7    8    9    9   10   11   12   14   14   16   17   18   19   20   21   21   22   24 
LCS_GDT     T    16_B     T    16_B      7    9   17      4    6    7    8    9    9   10   11   12   14   15   16   17   18   19   20   21   22   23   24 
LCS_GDT     G    17_B     G    17_B      7    9   17      3    6    6    8    9    9   10   13   14   16   16   16   17   18   19   21   22   23   25   27 
LCS_GDT     A    18_B     A    18_B      3    9   17      3    3    3    5    9    9   10   11   13   16   16   16   17   18   19   21   22   23   25   27 
LCS_GDT     D    19_B     D    19_B      3    7   17      3    3    4    5    9    9   12   13   14   16   16   16   17   18   19   21   22   23   25   27 
LCS_GDT     G    20_B     G    20_B      5    7   17      3    4    5    6    7    9   12   13   14   16   16   16   17   18   19   21   22   23   25   27 
LCS_GDT     K    21_B     K    21_B      5    7   17      4    4    5    6    7    8   12   13   13   16   16   16   17   18   19   21   22   22   24   26 
LCS_GDT     L    22_B     L    22_B      5    7   17      4    4    5    6    7    9   12   13   14   16   16   16   17   18   19   21   22   23   26   28 
LCS_GDT     S    23_B     S    23_B      5    7   89      4    5    5    6    7    9   12   13   14   16   16   16   17   18   19   21   23   26   28   42 
LCS_GDT     L    24_B     L    24_B      5    7   89      4    5    5    5    7    9   12   13   14   16   16   16   19   22   29   34   42   49   58   74 
LCS_GDT     S    25_B     S    25_B      5    7   89      3    5    5    6    8   10   13   17   20   25   30   40   51   60   67   73   78   81   83   86 
LCS_GDT     V    26_B     V    26_B      5    7   89      3    5    5    6    8   13   15   24   29   39   56   66   69   77   82   82   85   85   85   86 
LCS_GDT     G    27_B     G    27_B      5    7   89      3    5    5    7    9   11   12   17   21   37   64   72   75   81   82   82   85   85   85   86 
LCS_GDT     G    28_B     G    28_B      4    7   89      3    3    4    7    9   11   12   23   26   37   71   78   79   81   82   83   85   85   85   86 
LCS_GDT     Y    29_B     Y    29_B      4   51   89      3    3    5    7    9   13   16   37   52   70   77   78   79   81   82   83   85   85   85   86 
LCS_GDT     K    30_B     K    30_B      4   60   89      3    4    5   23   38   64   71   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     K    31_B     K    31_B     23   60   89      5   45   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     T    32_B     T    32_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     F    33_B     F    33_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     T    34_B     T    34_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     K    35_B     K    35_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     V    36_B     V    36_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     D    37_B     D    37_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     A    38_B     A    38_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     A    39_B     A    39_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     T    40_B     T    40_B     23   60   89     21   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     K    41_B     K    41_B     23   60   89     21   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     A    42_B     A    42_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     P    43_B     P    43_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     L    44_B     L    44_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     A    45_B     A    45_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     G    46_B     G    46_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     A    47_B     A    47_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     V    48_B     V    48_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     F    49_B     F    49_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     Q    50_B     Q    50_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     V    51_B     V    51_B     23   60   89     16   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     V    52_B     V    52_B     23   60   89     12   49   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     E    53_B     E    53_B     23   60   89      6   26   58   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     K    54_B     K    54_B     17   60   89      4   14   31   51   66   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     D    55_B     D    55_B     17   60   89      4   12   23   41   58   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     G    56_B     G    56_B     20   60   89      3    9   23   43   60   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     D    57_B     D    57_B     23   60   89     10   22   49   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     I    58_B     I    58_B     23   60   89     11   28   58   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     T    59_B     T    59_B     23   60   89     16   49   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     L    60_B     L    60_B     23   60   89     16   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     Y    61_B     Y    61_B     23   60   89     17   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     E    62_B     E    62_B     23   60   89     26   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     L    63_B     L    63_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     S    64_B     S    64_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     S    65_B     S    65_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     P    66_B     P    66_B     23   60   89     12   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     A    67_B     A    67_B     23   60   89     16   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     G    68_B     G    68_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     Y    69_B     Y    69_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     V    70_B     V    70_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     P    71_B     P    71_B     23   60   89     17   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     V    72_B     V    72_B     23   60   89     12   49   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     T    73_B     T    73_B     23   60   89     17   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     N    74_B     N    74_B     23   60   89     17   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     K    75_B     K    75_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     P    76_B     P    76_B     23   60   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     I    77_B     I    77_B     23   60   89     17   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     Y    78_B     Y    78_B     23   60   89     16   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     N    79_B     N    79_B     23   60   89     15   49   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     I    80_B     I    80_B     23   60   89      4   11   43   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     S    81_B     S    81_B      5   60   89      3   16   54   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     T    82_B     T    82_B      4   60   89      3    3   52   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     G    83_B     G    83_B      6   60   89      4    7   18   39   65   70   72   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     E    84_B     E    84_B      6   60   89      4   28   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     A    85_B     A    85_B      6   60   89      4   41   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     F    86_B     F    86_B      6   60   89      4   17   35   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     D    87_B     D    87_B      6   60   89      3    7   19   51   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     S    88_B     S    88_B      6   60   89      3   21   55   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     A    89_B     A    89_B      4   60   89      3    3    4    4   22   46   70   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     A    90_B     A    90_B      4    5   89      3    3    4    4    4    6    9   12   24   37   65   71   77   81   82   83   85   85   85   86 
LCS_GDT     A    91_B     A    91_B      4   20   89      3    3    4    7   10   19   40   53   68   76   77   78   80   81   82   83   85   85   85   86 
LCS_GDT     S    92_B     S    92_B     16   20   89     21   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     V    93_B     V    93_B     16   20   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     V    94_B     V    94_B     16   20   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     K    95_B     K    95_B     16   20   89     27   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     E    96_B     E    96_B     16   20   89     18   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     D    97_B     D    97_B     16   20   89     17   42   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     G    98_B     G    98_B     16   20   89     17   49   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     Q    99_B     Q    99_B     16   20   89     17   49   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     Y   100_B     Y   100_B     16   20   89     27   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     Y   101_B     Y   101_B     16   20   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     I   102_B     I   102_B     16   20   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     T   103_B     T   103_B     16   20   89     21   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     N   104_B     N   104_B     16   20   89     18   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     T   105_B     T   105_B     16   20   89     15   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     A   106_B     A   106_B     16   20   89     28   50   59   64   67   70   73   75   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     A   107_B     A   107_B     16   20   89      4   40   58   64   67   70   73   74   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     L   108_B     L   108_B      9   20   89      3   14   28   52   65   69   72   74   76   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     A   109_B     A   109_B      8   20   89      3   11   31   55   63   69   72   73   75   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     A   110_B     A   110_B      4   20   89      3   11   17   51   65   69   72   73   75   77   79   79   80   81   82   83   85   85   85   86 
LCS_GDT     A   111_B     A   111_B      4   20   89      3    3    7   11   16   26   41   61   71   74   75   76   77   78   81   81   82   83   83   85 
LCS_AVERAGE  LCS_A:  42.43  (  14.53   38.58   74.19 )

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     28     50     59     64     67     70     73     75     76     77     79     79     80     81     82     83     85     85     85     86 
GDT PERCENT_AT  26.67  47.62  56.19  60.95  63.81  66.67  69.52  71.43  72.38  73.33  75.24  75.24  76.19  77.14  78.10  79.05  80.95  80.95  80.95  81.90
GDT RMS_LOCAL    0.35   0.59   0.77   0.96   1.11   1.28   1.55   1.84   1.85   1.82   2.02   2.02   2.17   2.35   2.60   2.78   3.28   3.28   3.28   3.67
GDT RMS_ALL_AT  16.61  16.57  16.44  16.39  16.36  16.27  16.23  16.12  16.14  16.30  16.25  16.25  16.26  16.21  16.13  16.14  15.92  15.92  15.92  15.79

# Checking swapping
#   possible swapping detected:  E     7_B      E     7_B
#   possible swapping detected:  D    55_B      D    55_B
#   possible swapping detected:  F    86_B      F    86_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    44.321     0    0.045   1.320    47.418    0.000    0.000
LGA    P     8_B      P     8_B    43.325     0    0.203   0.237    45.274    0.000    0.000
LGA    K     9_B      K     9_B    41.297     0    0.109   1.200    41.500    0.000    0.000
LGA    V    10_B      V    10_B    42.637     0    0.054   0.155    45.022    0.000    0.000
LGA    Y    11_B      Y    11_B    40.044     0    0.110   1.296    41.068    0.000    0.000
LGA    A    12_B      A    12_B    39.579     0    0.045   0.052    39.751    0.000    0.000
LGA    P    13_B      P    13_B    40.953     0    0.061   0.389    43.535    0.000    0.000
LGA    V    14_B      V    14_B    39.522     0    0.051   1.079    41.310    0.000    0.000
LGA    T    15_B      T    15_B    40.994     0    0.099   1.028    41.609    0.000    0.000
LGA    T    16_B      T    16_B    39.870     0    0.101   1.044    42.438    0.000    0.000
LGA    G    17_B      G    17_B    40.732     0    0.161   0.161    40.732    0.000    0.000
LGA    A    18_B      A    18_B    40.785     0    0.675   0.628    41.617    0.000    0.000
LGA    D    19_B      D    19_B    39.210     0    0.667   1.156    39.326    0.000    0.000
LGA    G    20_B      G    20_B    35.943     0    0.742   0.742    37.570    0.000    0.000
LGA    K    21_B      K    21_B    32.094     0    0.146   1.101    35.418    0.000    0.000
LGA    L    22_B      L    22_B    25.649     0    0.075   0.962    27.975    0.000    0.000
LGA    S    23_B      S    23_B    25.035     0    0.388   0.745    26.180    0.000    0.000
LGA    L    24_B      L    24_B    20.407     0    0.051   1.400    22.776    0.000    0.000
LGA    S    25_B      S    25_B    16.705     0    0.492   0.849    18.233    0.000    0.000
LGA    V    26_B      V    26_B    12.841     0    0.161   0.946    14.228    0.000    0.000
LGA    G    27_B      G    27_B    12.169     0    0.410   0.410    12.169    0.000    0.000
LGA    G    28_B      G    28_B    10.378     0    0.196   0.196    11.280    2.500    2.500
LGA    Y    29_B      Y    29_B     8.218     0    0.321   0.601    12.744   12.381    4.444
LGA    K    30_B      K    30_B     5.480     0    0.079   0.445    13.939   37.619   18.519
LGA    K    31_B      K    31_B     0.611     0    0.221   0.830     7.937   77.381   52.910
LGA    T    32_B      T    32_B     1.791     0    0.173   0.213     2.874   79.286   69.796
LGA    F    33_B      F    33_B     0.966     0    0.017   0.244     2.236   88.214   80.130
LGA    T    34_B      T    34_B     0.874     0    0.067   0.065     1.071   88.214   89.184
LGA    K    35_B      K    35_B     0.783     0    0.077   0.523     1.583   90.476   86.508
LGA    V    36_B      V    36_B     0.828     0    0.020   0.098     0.902   90.476   90.476
LGA    D    37_B      D    37_B     0.679     0    0.048   0.130     0.874   90.476   90.476
LGA    A    38_B      A    38_B     0.963     0    0.118   0.116     1.657   83.810   85.143
LGA    A    39_B      A    39_B     1.290     0    0.047   0.070     1.623   77.143   78.000
LGA    T    40_B      T    40_B     1.824     0    0.121   1.117     4.166   70.833   64.354
LGA    K    41_B      K    41_B     1.727     0    0.050   1.230     7.288   72.857   54.233
LGA    A    42_B      A    42_B     1.163     0    0.081   0.094     1.214   81.429   81.429
LGA    P    43_B      P    43_B     0.764     0    0.037   0.107     1.189   90.476   87.891
LGA    L    44_B      L    44_B     0.417     0    0.045   0.092     0.707   95.238   95.238
LGA    A    45_B      A    45_B     0.347     0    0.046   0.054     0.650   95.238   96.190
LGA    G    46_B      G    46_B     0.846     0    0.066   0.066     1.344   88.214   88.214
LGA    A    47_B      A    47_B     0.858     0    0.159   0.185     1.758   83.810   85.143
LGA    V    48_B      V    48_B     0.915     0    0.040   0.062     1.126   90.476   87.891
LGA    F    49_B      F    49_B     1.064     0    0.022   0.077     1.093   81.429   83.074
LGA    Q    50_B      Q    50_B     1.275     0    0.034   0.755     3.597   83.690   67.725
LGA    V    51_B      V    51_B     1.174     0    0.021   0.215     1.630   83.690   81.497
LGA    V    52_B      V    52_B     0.603     0    0.072   1.107     2.889   85.952   81.837
LGA    E    53_B      E    53_B     2.135     0    0.067   0.935     4.312   70.952   62.751
LGA    K    54_B      K    54_B     3.565     0    0.325   1.164     6.781   37.976   29.206
LGA    D    55_B      D    55_B     4.772     0    0.244   1.065     6.788   34.286   26.905
LGA    G    56_B      G    56_B     4.503     0    0.193   0.193     4.622   32.857   32.857
LGA    D    57_B      D    57_B     2.752     0    0.154   0.862     3.851   57.262   55.476
LGA    I    58_B      I    58_B     1.765     0    0.104   1.383     6.310   75.119   62.619
LGA    T    59_B      T    59_B     1.060     0    0.060   1.114     3.540   81.429   74.762
LGA    L    60_B      L    60_B     0.987     0    0.069   1.025     2.761   88.214   78.750
LGA    Y    61_B      Y    61_B     0.724     0    0.046   0.190     1.450   88.214   88.254
LGA    E    62_B      E    62_B     0.697     0    0.027   0.134     0.838   90.476   90.476
LGA    L    63_B      L    63_B     0.713     0    0.126   1.102     3.269   88.214   78.810
LGA    S    64_B      S    64_B     1.015     0    0.030   0.036     1.777   88.214   83.095
LGA    S    65_B      S    65_B     0.622     0    0.043   0.048     0.791   90.476   90.476
LGA    P    66_B      P    66_B     0.780     0    0.054   0.063     0.933   90.476   90.476
LGA    A    67_B      A    67_B     0.968     0    0.062   0.063     1.365   92.857   90.571
LGA    G    68_B      G    68_B     0.986     0    0.053   0.053     1.080   88.214   88.214
LGA    Y    69_B      Y    69_B     0.474     0    0.052   0.134     0.729   92.857   94.444
LGA    V    70_B      V    70_B     0.737     0    0.072   1.073     2.285   90.476   83.129
LGA    P    71_B      P    71_B     1.067     0    0.061   0.268     1.336   83.690   85.306
LGA    V    72_B      V    72_B     1.252     0    0.059   0.310     1.554   81.429   80.204
LGA    T    73_B      T    73_B     1.285     0    0.027   0.116     1.905   83.690   82.789
LGA    N    74_B      N    74_B     1.067     0    0.043   0.135     2.066   85.952   80.536
LGA    K    75_B      K    75_B     0.529     0    0.110   1.259     7.362   95.238   66.190
LGA    P    76_B      P    76_B     0.506     0    0.081   0.095     0.600   92.857   93.197
LGA    I    77_B      I    77_B     0.794     0    0.029   0.660     2.537   90.476   86.310
LGA    Y    78_B      Y    78_B     0.893     0    0.062   0.358     2.370   88.214   81.667
LGA    N    79_B      N    79_B     1.241     0    0.144   0.944     4.145   77.262   63.810
LGA    I    80_B      I    80_B     3.058     0    0.601   1.535     5.648   61.429   48.929
LGA    S    81_B      S    81_B     2.907     0    0.117   0.659     4.626   61.190   54.365
LGA    T    82_B      T    82_B     1.648     0    0.716   1.400     5.592   64.881   54.422
LGA    G    83_B      G    83_B     3.989     0    0.612   0.612     3.989   55.714   55.714
LGA    E    84_B      E    84_B     1.224     0    0.148   0.662     7.111   69.286   46.667
LGA    A    85_B      A    85_B     1.183     0    0.113   0.140     2.064   81.548   78.190
LGA    F    86_B      F    86_B     2.504     0    0.095   1.236     5.792   75.476   51.602
LGA    D    87_B      D    87_B     3.066     0    0.619   1.256     8.785   63.214   38.036
LGA    S    88_B      S    88_B     2.113     0    0.480   0.754     3.079   57.262   62.540
LGA    A    89_B      A    89_B     5.453     0    0.686   0.659     6.312   25.476   23.810
LGA    A    90_B      A    90_B     9.424     0    0.051   0.070    12.076    3.452    2.762
LGA    A    91_B      A    91_B     6.887     0    0.699   0.638     8.147   21.548   18.190
LGA    S    92_B      S    92_B     1.490     0    0.708   0.620     3.177   69.286   69.127
LGA    V    93_B      V    93_B     1.246     0    0.126   1.078     2.805   81.429   76.735
LGA    V    94_B      V    94_B     1.427     0    0.078   1.131     3.123   81.429   72.449
LGA    K    95_B      K    95_B     1.254     0    0.036   1.007     5.857   81.429   61.693
LGA    E    96_B      E    96_B     1.209     0    0.427   0.938     3.654   69.762   72.804
LGA    D    97_B      D    97_B     0.468     0    0.210   0.240     1.997   97.619   86.310
LGA    G    98_B      G    98_B     0.589     0    0.200   0.200     1.794   86.071   86.071
LGA    Q    99_B      Q    99_B     0.590     0    0.054   0.125     1.687   92.857   86.561
LGA    Y   100_B      Y   100_B     1.183     0    0.045   0.889     5.810   85.952   63.175
LGA    Y   101_B      Y   101_B     1.138     0    0.045   0.099     1.736   79.286   85.992
LGA    I   102_B      I   102_B     1.277     0    0.054   0.101     1.434   81.429   81.429
LGA    T   103_B      T   103_B     1.335     0    0.017   1.027     2.294   81.429   76.667
LGA    N   104_B      N   104_B     1.093     1    0.051   0.400     1.241   81.429   73.512
LGA    T   105_B      T   105_B     1.188     0    0.059   0.981     2.948   83.690   80.544
LGA    A   106_B      A   106_B     1.267     0    0.655   0.597     1.858   79.286   78.000
LGA    A   107_B      A   107_B     2.579     0    0.115   0.148     4.590   47.262   52.381
LGA    L   108_B      L   108_B     4.410     0    0.085   0.960     7.741   41.905   31.190
LGA    A   109_B      A   109_B     5.217     0    0.060   0.064     5.966   27.500   26.286
LGA    A   110_B      A   110_B     5.959     0    0.652   0.629     7.946   15.000   14.667
LGA    A   111_B      A   111_B    10.481     0    0.429   0.503    11.578    0.714    0.571

# 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):    13.985         13.905                 13.721           57.942   53.671

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  111  105    4.0     75    1.84    64.762    59.803     3.876

LGA_LOCAL      RMSD:   1.835  Number of atoms:   75  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.119  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:  13.985  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.370578 * X  +   0.927111 * Y  +   0.056014 * Z  + -18.015551
  Y_new =   0.257041 * X  +   0.160322 * Y  +  -0.953009 * Z  + -93.423073
  Z_new =  -0.892525 * X  +  -0.338767 * Y  +  -0.297717 * Z  +  13.859694 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.535161  1.102914 -2.291789   [DEG:  145.2541   63.1923 -131.3098 ]
ZXZ:  0.058709  1.873096 -1.933559   [DEG:    3.3638  107.3205 -110.7848 ]
 
# END of job
