
#######################################################
#                                                     #
#                        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       2.98     2.98
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    69      19_B - 87_B        1.95     3.10
  LCS_AVERAGE:     51.04

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      28_B - 53_B        0.95     3.21
  LCS_AVERAGE:     13.80

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      6    9  105      3    5    6    6   12   17   30   45   58   73   79   83   98  100  105  105  105  105  105  105 
LCS_GDT     P     8_B     P     8_B      6    9  105      3    5    8   17   46   60   75   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     K     9_B     K     9_B      6   11  105      3    5    8   10   15   26   45   67   76   88   97  101  104  104  105  105  105  105  105  105 
LCS_GDT     V    10_B     V    10_B      6   11  105      3    4    6   12   24   54   72   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     Y    11_B     Y    11_B      6   11  105      3    5    6    7   25   43   54   70   88   96   98  102  104  104  105  105  105  105  105  105 
LCS_GDT     A    12_B     A    12_B      6   11  105      3    5    6   12   20   39   56   78   92   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     P    13_B     P    13_B      6   11  105      3    5    6   16   21   45   68   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     V    14_B     V    14_B      6   11  105      4    5    6   16   29   45   68   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     T    15_B     T    15_B      6   35  105      4    5   12   16   39   57   69   81   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     T    16_B     T    16_B      6   56  105      4    5    6    8   14   26   59   69   85   93   98  102  104  104  105  105  105  105  105  105 
LCS_GDT     G    17_B     G    17_B      9   57  105      4    6    9   12   20   40   59   69   79   87   96  101  104  104  105  105  105  105  105  105 
LCS_GDT     A    18_B     A    18_B      9   67  105      3    6   11   25   41   56   70   78   86   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     D    19_B     D    19_B      9   69  105      3   24   51   66   78   82   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     G    20_B     G    20_B      9   69  105      5   23   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     K    21_B     K    21_B      9   69  105      5   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     L    22_B     L    22_B      9   69  105      5   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     S    23_B     S    23_B      9   69  105      3    6   52   65   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     L    24_B     L    24_B      9   69  105      4   26   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     S    25_B     S    25_B      9   69  105      3   19   52   65   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     V    26_B     V    26_B      9   69  105      3   16   41   64   75   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     G    27_B     G    27_B     12   69  105      3   13   23   38   66   78   83   87   88   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     G    28_B     G    28_B     26   69  105      3   22   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     Y    29_B     Y    29_B     26   69  105      3   20   53   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     K    30_B     K    30_B     26   69  105     12   29   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     K    31_B     K    31_B     26   69  105     15   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     T    32_B     T    32_B     26   69  105     15   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     F    33_B     F    33_B     26   69  105     15   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     T    34_B     T    34_B     26   69  105     15   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     K    35_B     K    35_B     26   69  105     15   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     V    36_B     V    36_B     26   69  105     15   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     D    37_B     D    37_B     26   69  105     15   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     A    38_B     A    38_B     26   69  105     15   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     A    39_B     A    39_B     26   69  105     13   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     T    40_B     T    40_B     26   69  105     13   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     K    41_B     K    41_B     26   69  105     15   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     A    42_B     A    42_B     26   69  105     15   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     P    43_B     P    43_B     26   69  105     15   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     L    44_B     L    44_B     26   69  105     15   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     A    45_B     A    45_B     26   69  105      5   30   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     G    46_B     G    46_B     26   69  105      6   29   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     A    47_B     A    47_B     26   69  105      9   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     V    48_B     V    48_B     26   69  105     15   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     F    49_B     F    49_B     26   69  105     11   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     Q    50_B     Q    50_B     26   69  105     13   27   47   65   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     V    51_B     V    51_B     26   69  105     13   38   55   65   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     V    52_B     V    52_B     26   69  105      9   30   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     E    53_B     E    53_B     26   69  105     13   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     K    54_B     K    54_B     25   69  105      6   20   50   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     D    55_B     D    55_B     15   69  105      6   19   43   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     G    56_B     G    56_B     15   69  105      4   15   33   65   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     D    57_B     D    57_B     15   69  105      5   15   45   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     I    58_B     I    58_B     15   69  105      5   25   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     T    59_B     T    59_B     15   69  105      6   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     L    60_B     L    60_B     15   69  105      7   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     Y    61_B     Y    61_B     15   69  105      5   31   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     E    62_B     E    62_B     15   69  105      7   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     L    63_B     L    63_B     15   69  105      4   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     S    64_B     S    64_B     13   69  105      8   32   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     S    65_B     S    65_B     13   69  105      9   27   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     P    66_B     P    66_B     13   69  105      5   27   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     A    67_B     A    67_B     13   69  105      7   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     G    68_B     G    68_B     13   69  105     15   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     Y    69_B     Y    69_B     13   69  105     12   34   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     V    70_B     V    70_B     13   69  105      5   26   53   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     P    71_B     P    71_B      7   69  105      3    4    9   30   41   82   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     V    72_B     V    72_B      5   69  105      3    4   33   63   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     T    73_B     T    73_B      5   69  105      3   18   37   65   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     N    74_B     N    74_B      8   69  105      5    7    9   38   54   67   82   87   92   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     K    75_B     K    75_B      8   69  105      5    7   32   54   71   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     P    76_B     P    76_B      8   69  105      9   31   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     I    77_B     I    77_B      8   69  105      9   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     Y    78_B     Y    78_B      8   69  105      9   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     N    79_B     N    79_B      8   69  105      6   33   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     I    80_B     I    80_B      8   69  105     13   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     S    81_B     S    81_B      8   69  105      4   29   53   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     T    82_B     T    82_B      4   69  105      3    3   18   33   46   73   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     G    83_B     G    83_B      4   69  105      3    3    5   41   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     E    84_B     E    84_B      5   69  105      3    4    7   58   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     A    85_B     A    85_B      5   69  105      3    4    5   30   66   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     F    86_B     F    86_B      5   69  105      3   11   26   49   74   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     D    87_B     D    87_B      5   69  105      3    8   47   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     S    88_B     S    88_B      5   61  105      3    4   18   28   45   70   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     A    89_B     A    89_B      4   22  105      3    4    5    5   22   26   78   87   91   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     A    90_B     A    90_B      4   22  105      3    4    5   32   52   67   76   82   88   95  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     A    91_B     A    91_B      3   22  105      3    3   11   27   46   65   78   85   88   95  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     S    92_B     S    92_B     17   22  105      4   31   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     V    93_B     V    93_B     17   22  105     14   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     V    94_B     V    94_B     17   22  105     13   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     K    95_B     K    95_B     17   22  105     13   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     E    96_B     E    96_B     17   22  105     13   27   48   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     D    97_B     D    97_B     17   22  105     13   27   48   65   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     G    98_B     G    98_B     17   22  105     13   27   47   65   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     Q    99_B     Q    99_B     17   22  105     13   31   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     Y   100_B     Y   100_B     17   22  105     13   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     Y   101_B     Y   101_B     17   22  105     15   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     I   102_B     I   102_B     17   22  105     15   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     T   103_B     T   103_B     17   22  105     15   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     N   104_B     N   104_B     17   22  105     15   38   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     T   105_B     T   105_B     17   22  105      4   25   51   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     A   106_B     A   106_B     17   22  105      4   25   53   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     A   107_B     A   107_B     17   22  105      6   29   55   66   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     L   108_B     L   108_B     17   22  105      3   16   40   63   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     A   109_B     A   109_B      6   22  105      5   27   47   62   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     A   110_B     A   110_B      6   22  105     10   31   47   65   78   83   85   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_GDT     A   111_B     A   111_B      6   22  105      3    7   13   44   63   72   82   87   93   96  100  102  104  104  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  54.94  (  13.80   51.04  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     15     38     55     66     78     83     85     87     93     96    100    102    104    104    105    105    105    105    105    105 
GDT PERCENT_AT  14.29  36.19  52.38  62.86  74.29  79.05  80.95  82.86  88.57  91.43  95.24  97.14  99.05  99.05 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.70   0.97   1.24   1.51   1.66   1.70   1.83   2.24   2.39   2.57   2.69   2.85   2.85   2.98   2.98   2.98   2.98   2.98   2.98
GDT RMS_ALL_AT   3.17   3.11   3.14   3.14   3.06   3.08   3.08   3.08   3.02   3.00   3.00   3.00   2.99   2.99   2.98   2.98   2.98   2.98   2.98   2.98

# Checking swapping
#   possible swapping detected:  E     7_B      E     7_B
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  D    37_B      D    37_B
#   possible swapping detected:  Y    61_B      Y    61_B
#   possible swapping detected:  E    84_B      E    84_B
#   possible swapping detected:  D    87_B      D    87_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B    10.293     0    0.111   1.186    16.736    0.714    0.317
LGA    P     8_B      P     8_B     5.454     0    0.134   0.136     6.668   17.500   25.442
LGA    K     9_B      K     9_B     7.896     0    0.083   1.162    16.941   12.857    5.714
LGA    V    10_B      V    10_B     5.529     0    0.091   1.113     7.589   15.714   16.803
LGA    Y    11_B      Y    11_B     6.771     0    0.024   1.234    16.710   22.024    7.738
LGA    A    12_B      A    12_B     5.889     0    0.266   0.315     6.931   19.286   18.095
LGA    P    13_B      P    13_B     5.736     0    0.063   0.341     6.235   21.429   22.177
LGA    V    14_B      V    14_B     5.561     0    0.126   1.130     8.685   21.548   18.231
LGA    T    15_B      T    15_B     5.815     0    0.180   1.095     9.033   23.810   17.619
LGA    T    16_B      T    16_B     6.488     0    0.243   1.140     9.382   10.833    9.728
LGA    G    17_B      G    17_B     7.600     0    0.528   0.528     9.184    7.262    7.262
LGA    A    18_B      A    18_B     6.294     0    0.249   0.250     7.199   20.714   18.571
LGA    D    19_B      D    19_B     2.683     0    0.129   0.128     4.742   63.690   51.310
LGA    G    20_B      G    20_B     1.471     0    0.315   0.315     1.890   79.286   79.286
LGA    K    21_B      K    21_B     0.593     0    0.102   0.791     2.328   88.214   81.746
LGA    L    22_B      L    22_B     0.685     0    0.031   1.036     5.483   88.214   72.798
LGA    S    23_B      S    23_B     2.507     0    0.248   0.690     5.789   68.929   56.746
LGA    L    24_B      L    24_B     1.450     0    0.092   0.144     2.348   72.976   71.905
LGA    S    25_B      S    25_B     2.762     0    0.375   0.763     5.411   59.048   52.063
LGA    V    26_B      V    26_B     2.992     0    0.079   1.055     4.568   53.571   52.517
LGA    G    27_B      G    27_B     4.842     0    0.612   0.612     6.783   28.333   28.333
LGA    G    28_B      G    28_B     1.949     0    0.025   0.025     2.323   75.119   75.119
LGA    Y    29_B      Y    29_B     1.519     0    0.539   0.811     4.215   75.000   58.571
LGA    K    30_B      K    30_B     1.755     0    0.058   0.272     4.031   70.833   61.905
LGA    K    31_B      K    31_B     1.292     0    0.080   0.839     2.333   85.952   80.741
LGA    T    32_B      T    32_B     0.781     0    0.041   1.081     2.611   90.476   82.041
LGA    F    33_B      F    33_B     0.736     0    0.080   0.299     2.086   90.476   80.952
LGA    T    34_B      T    34_B     0.778     0    0.053   0.159     1.267   90.476   87.891
LGA    K    35_B      K    35_B     0.721     0    0.092   0.702     2.855   90.476   80.000
LGA    V    36_B      V    36_B     0.752     0    0.054   0.109     1.199   90.476   87.891
LGA    D    37_B      D    37_B     0.759     0    0.083   0.421     1.525   88.214   87.143
LGA    A    38_B      A    38_B     0.943     0    0.030   0.029     1.045   85.952   86.857
LGA    A    39_B      A    39_B     1.276     0    0.114   0.124     1.708   79.286   79.714
LGA    T    40_B      T    40_B     0.837     0    0.013   0.075     1.367   85.952   87.891
LGA    K    41_B      K    41_B     0.924     0    0.109   1.092     5.534   88.214   67.989
LGA    A    42_B      A    42_B     0.699     0    0.016   0.025     0.715   90.476   90.476
LGA    P    43_B      P    43_B     0.815     0    0.024   0.048     1.411   90.476   86.599
LGA    L    44_B      L    44_B     0.531     0    0.061   0.098     1.037   88.214   94.107
LGA    A    45_B      A    45_B     1.423     0    0.035   0.047     2.315   79.405   76.476
LGA    G    46_B      G    46_B     1.990     0    0.035   0.035     1.990   72.857   72.857
LGA    A    47_B      A    47_B     1.189     0    0.107   0.119     1.223   81.429   83.238
LGA    V    48_B      V    48_B     0.756     0    0.021   0.048     1.646   88.214   85.374
LGA    F    49_B      F    49_B     1.286     0    0.041   0.164     1.611   79.405   85.671
LGA    Q    50_B      Q    50_B     2.238     0    0.017   0.295     3.765   72.976   60.265
LGA    V    51_B      V    51_B     1.854     0    0.020   1.156     4.021   68.810   64.286
LGA    V    52_B      V    52_B     1.592     0    0.111   1.104     3.719   77.143   71.088
LGA    E    53_B      E    53_B     0.838     0    0.062   0.695     1.848   90.476   85.503
LGA    K    54_B      K    54_B     1.451     0    0.028   1.190     8.118   75.119   53.545
LGA    D    55_B      D    55_B     1.929     0    0.075   0.226     3.393   66.905   62.083
LGA    G    56_B      G    56_B     2.401     0    0.291   0.291     4.201   57.976   57.976
LGA    D    57_B      D    57_B     1.864     0    0.174   0.842     2.804   77.143   69.048
LGA    I    58_B      I    58_B     1.739     0    0.041   0.168     2.691   70.833   64.940
LGA    T    59_B      T    59_B     1.557     0    0.065   1.091     3.576   72.857   69.864
LGA    L    60_B      L    60_B     1.681     0    0.024   0.122     1.681   75.000   76.071
LGA    Y    61_B      Y    61_B     1.839     0    0.019   0.123     2.007   72.857   72.183
LGA    E    62_B      E    62_B     1.706     0    0.077   0.138     2.463   72.857   70.159
LGA    L    63_B      L    63_B     1.764     0    0.066   1.082     3.352   72.857   68.214
LGA    S    64_B      S    64_B     2.083     0    0.106   0.134     2.398   66.786   67.460
LGA    S    65_B      S    65_B     2.225     0    0.013   0.057     2.646   64.762   63.492
LGA    P    66_B      P    66_B     2.121     0    0.070   0.102     2.213   68.810   69.388
LGA    A    67_B      A    67_B     1.644     0    0.013   0.019     1.919   77.143   76.286
LGA    G    68_B      G    68_B     0.847     0    0.090   0.090     1.103   88.214   88.214
LGA    Y    69_B      Y    69_B     1.404     0    0.070   0.115     1.986   77.143   83.016
LGA    V    70_B      V    70_B     2.127     0    0.067   0.094     3.257   72.976   67.347
LGA    P    71_B      P    71_B     3.104     0    0.018   0.362     4.400   63.333   52.993
LGA    V    72_B      V    72_B     2.098     0    0.136   0.268     4.201   54.048   55.646
LGA    T    73_B      T    73_B     1.986     0    0.614   0.504     2.274   72.857   74.218
LGA    N    74_B      N    74_B     4.767     0    0.322   0.334     7.841   38.810   25.357
LGA    K    75_B      K    75_B     3.197     0    0.155   0.966     5.540   53.810   40.370
LGA    P    76_B      P    76_B     0.890     0    0.074   0.092     1.812   88.214   84.150
LGA    I    77_B      I    77_B     1.437     0    0.066   0.072     1.714   79.286   79.286
LGA    Y    78_B      Y    78_B     1.390     0    0.035   0.132     1.740   81.429   78.571
LGA    N    79_B      N    79_B     1.371     0    0.048   0.897     4.565   81.429   65.714
LGA    I    80_B      I    80_B     0.697     0    0.595   0.934     2.974   79.881   81.845
LGA    S    81_B      S    81_B     1.028     0    0.466   0.798     2.605   83.690   77.460
LGA    T    82_B      T    82_B     4.448     0    0.246   1.167     8.230   46.905   30.952
LGA    G    83_B      G    83_B     2.593     0    0.192   0.192     2.694   60.952   60.952
LGA    E    84_B      E    84_B     2.477     0    0.658   1.186     5.344   66.786   49.259
LGA    A    85_B      A    85_B     3.076     0    0.343   0.447     3.955   51.905   50.190
LGA    F    86_B      F    86_B     3.145     0    0.048   1.405    11.299   51.786   24.026
LGA    D    87_B      D    87_B     1.803     0    0.626   1.085     3.183   64.881   67.440
LGA    S    88_B      S    88_B     4.881     0    0.058   0.120     8.395   43.690   31.111
LGA    A    89_B      A    89_B     4.683     0    0.118   0.120     7.218   31.548   27.238
LGA    A    90_B      A    90_B     5.670     0    0.075   0.077     7.935   23.333   22.095
LGA    A    91_B      A    91_B     4.988     0    0.649   0.583     6.618   38.929   33.810
LGA    S    92_B      S    92_B     1.217     0    0.393   0.344     2.690   77.143   70.476
LGA    V    93_B      V    93_B     0.877     0    0.104   0.137     1.383   90.476   86.599
LGA    V    94_B      V    94_B     0.559     0    0.028   0.039     0.840   90.476   90.476
LGA    K    95_B      K    95_B     1.189     0    0.029   0.191     1.282   83.690   83.439
LGA    E    96_B      E    96_B     1.621     0    0.440   1.066     4.028   64.048   63.386
LGA    D    97_B      D    97_B     1.776     0    0.187   0.155     1.813   72.857   72.857
LGA    G    98_B      G    98_B     2.091     0    0.047   0.047     2.091   68.810   68.810
LGA    Q    99_B      Q    99_B     1.464     0    0.035   0.925     4.366   79.286   69.365
LGA    Y   100_B      Y   100_B     1.160     0    0.000   0.084     2.047   83.690   78.651
LGA    Y   101_B      Y   101_B     0.656     0    0.047   0.078     1.015   90.476   91.310
LGA    I   102_B      I   102_B     0.635     0    0.018   0.123     0.760   90.476   92.857
LGA    T   103_B      T   103_B     0.569     0    0.046   0.081     0.772   90.476   90.476
LGA    N   104_B      N   104_B     0.567     1    0.054   0.372     1.186   88.214   78.095
LGA    T   105_B      T   105_B     1.844     0    0.016   0.031     3.068   75.000   67.415
LGA    A   106_B      A   106_B     1.557     0    0.058   0.071     2.282   70.833   71.238
LGA    A   107_B      A   107_B     1.797     0    0.074   0.091     2.474   79.405   76.476
LGA    L   108_B      L   108_B     2.269     0    0.063   0.095     6.545   75.238   51.905
LGA    A   109_B      A   109_B     2.733     0    0.062   0.094     4.190   62.857   57.714
LGA    A   110_B      A   110_B     1.954     0    0.162   0.164     3.095   61.190   61.905
LGA    A   111_B      A   111_B     5.913     0    0.084   0.120     6.672   27.857   24.952

# 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):     2.983          2.962                  3.722           66.409   62.052

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  111  105    4.0     87    1.83    70.476    70.329     4.498

LGA_LOCAL      RMSD:   1.834  Number of atoms:   87  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.085  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   2.983  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.764775 * X  +  -0.622090 * Y  +   0.167699 * Z  +  44.111507
  Y_new =   0.327190 * X  +  -0.150762 * Y  +   0.932855 * Z  + -63.197483
  Z_new =  -0.555036 * X  +   0.768294 * Y  +   0.318840 * Z  +   2.846708 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.737332  0.588407  1.177428   [DEG:  156.8376   33.7132   67.4616 ]
ZXZ:  2.963722  1.246290 -0.625620   [DEG:  169.8088   71.4072  -35.8454 ]
 
# END of job
