
#######################################################
#                                                     #
#                        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  107 (  851),  selected  106 , name one
# Molecule2: number of CA atoms  106 (  830),  selected  106 , 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:   106       2_B - 107_B       4.21     4.21
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    80       2_B - 81_B        1.71     4.43
  LONGEST_CONTINUOUS_SEGMENT:    80       3_B - 82_B        1.79     4.42
  LCS_AVERAGE:     60.37

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76       5_B - 80_B        1.00     4.50
  LCS_AVERAGE:     54.24

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  106
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     G     2_B     G     2_B      3   80  106      2    3    3    8   17   55   69   76   84   92   93   93   96   99  100  101  102  102  102  103 
LCS_GDT     V     3_B     V     3_B      3   80  106      2   11   36   64   79   87   89   90   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     S     4_B     S     4_B     75   80  106      6   17   60   81   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     D     5_B     D     5_B     76   80  106      6   41   66   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     V     6_B     V     6_B     76   80  106     26   74   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     P     7_B     P     7_B     76   80  106     40   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     R     8_B     R     8_B     76   80  106     36   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     D     9_B     D     9_B     76   80  106     44   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     L    10_B     L    10_B     76   80  106     42   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     E    11_B     E    11_B     76   80  106     30   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     V    12_B     V    12_B     76   80  106     26   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     V    13_B     V    13_B     76   80  106     46   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     A    14_B     A    14_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     A    15_B     A    15_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     T    16_B     T    16_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     P    17_B     P    17_B     76   80  106     40   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     T    18_B     T    18_B     76   80  106      9   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     S    19_B     S    19_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     L    20_B     L    20_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     L    21_B     L    21_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     I    22_B     I    22_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     S    23_B     S    23_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     W    24_B     W    24_B     76   80  106     46   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     D    25_B     D    25_B     76   80  106     13   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     A    26_B     A    26_B     76   80  106     13   70   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     P    27_B     P    27_B     76   80  106     13   61   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     P    28_B     P    28_B     76   80  106      3   20   69   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     Y    29_B     Y    29_B     76   80  106      4   47   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     Y    30_B     Y    30_B     76   80  106     13   72   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     V    31_B     V    31_B     76   80  106     39   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     R    32_B     R    32_B     76   80  106     32   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     Y    33_B     Y    33_B     76   80  106     36   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     Y    34_B     Y    34_B     76   80  106     44   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     R    35_B     R    35_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     I    36_B     I    36_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     T    37_B     T    37_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     Y    38_B     Y    38_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     G    39_B     G    39_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     E    40_B     E    40_B     76   80  106     39   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     T    41_B     T    41_B     76   80  106      3   68   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     G    42_B     G    42_B     76   80  106      4    4    4   79   85   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     G    43_B     G    43_B     76   80  106      8   68   82   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     N    44_B     N    44_B     76   80  106     43   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     S    45_B     S    45_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     P    46_B     P    46_B     76   80  106     17   70   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     V    47_B     V    47_B     76   80  106     36   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     Q    48_B     Q    48_B     76   80  106     43   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     E    49_B     E    49_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     F    50_B     F    50_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     T    51_B     T    51_B     76   80  106     24   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     V    52_B     V    52_B     76   80  106     32   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     P    53_B     P    53_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     G    54_B     G    54_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     S    55_B     S    55_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     K    56_B     K    56_B     76   80  106     24   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     S    57_B     S    57_B     76   80  106     24   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     T    58_B     T    58_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     A    59_B     A    59_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     T    60_B     T    60_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     I    61_B     I    61_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     S    62_B     S    62_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     G    63_B     G    63_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     L    64_B     L    64_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     K    65_B     K    65_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     P    66_B     P    66_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     G    67_B     G    67_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     V    68_B     V    68_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     D    69_B     D    69_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     Y    70_B     Y    70_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     T    71_B     T    71_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     I    72_B     I    72_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     T    73_B     T    73_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     V    74_B     V    74_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     Y    75_B     Y    75_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     A    76_B     A    76_B     76   80  106     38   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     E    77_B     E    77_B     76   80  106     12   70   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     H    78_B     H    78_B     76   80  106     22   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     P    79_B     P    79_B     76   80  106      4   19   69   81   86   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     Y    80_B     Y    80_B     76   80  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     Y    81_B     Y    81_B      5   80  106      4    5   25   50   80   85   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     D    82_B     D    82_B      5   80  106      3    5    6    8   11   49   66   78   87   93   96   98  100  101  101  101  102  102  102  103 
LCS_GDT     P    83_B     P    83_B      4   10  106      3    4    6    7    9   13   15   16   17   30   65   71   91   98   99  100  102  102  102  103 
LCS_GDT     S    84_B     S    84_B      4    9  106      3    4    4    5    9   10   10   12   14   16   20   26   34   42   55   84   95  100  101  103 
LCS_GDT     S    85_B     S    85_B      4    7  106      3    4    5    6    6    6   12   45   48   83   96   98  100  101  101  101  102  102  102  103 
LCS_GDT     S    86_B     S    86_B      4    7  106      3    4    5    6    6   11   13   31   68   89   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     Y    87_B     Y    87_B      4    7  106      3    3    5    6    7   23   32   69   82   91   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     Y    88_B     Y    88_B      4   15  106      3    4   17   21   28   55   73   84   92   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     F    89_B     F    89_B      4   15  106      3    4   17   35   80   85   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     S    90_B     S    90_B     13   15  106     38   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     S    91_B     S    91_B     13   15  106     38   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     K    92_B     K    92_B     13   15  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     P    93_B     P    93_B     13   15  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     I    94_B     I    94_B     13   15  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     S    95_B     S    95_B     13   15  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     I    96_B     I    96_B     13   15  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     N    97_B     N    97_B     13   15  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     Y    98_B     Y    98_B     13   15  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     R    99_B     R    99_B     13   15  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     T   100_B     T   100_B     13   15  106     46   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     P   101_B     P   101_B     13   15  106     47   75   83   85   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     H   102_B     H   102_B     13   15  106      9   33   76   84   88   88   90   92   93   94   96   99  100  101  101  101  102  102  102  103 
LCS_GDT     H   103_B     H   103_B      6   14  106      4    4    5    8   11   45   53   71   88   93   95   99  100  101  101  101  102  102  102  103 
LCS_GDT     H   104_B     H   104_B      6    6  106      4    4    5    8   10   13   22   36   67   83   91   99   99  101  101  101  102  102  102  103 
LCS_GDT     H   105_B     H   105_B      6    6  106      3    4    5    6   11   20   44   55   84   92   95   99  100  101  101  101  102  102  102  103 
LCS_GDT     H   106_B     H   106_B      6    6  106      3    4    5    6    6    7   10   13   20   21   24   40   45   61   68   75   81   87  100  100 
LCS_GDT     H   107_B     H   107_B      6    6  106      3    4    5    6    6    6    8    8    8    9    9    9    9   12   19   20   22   28   29   30 
LCS_AVERAGE  LCS_A:  71.53  (  54.24   60.37  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     47     75     83     85     88     88     90     92     93     94     96     99    100    101    101    101    102    102    102    103 
GDT PERCENT_AT  44.34  70.75  78.30  80.19  83.02  83.02  84.91  86.79  87.74  88.68  90.57  93.40  94.34  95.28  95.28  95.28  96.23  96.23  96.23  97.17
GDT RMS_LOCAL    0.34   0.55   0.70   0.77   0.92   0.92   1.06   1.30   1.41   1.59   2.07   2.46   2.57   2.78   2.78   2.78   2.91   2.91   2.91   3.15
GDT RMS_ALL_AT   4.41   4.42   4.47   4.48   4.49   4.49   4.47   4.43   4.41   4.39   4.41   4.28   4.29   4.26   4.26   4.26   4.25   4.25   4.25   4.25

# Checking swapping
#   possible swapping detected:  E    11_B      E    11_B
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  Y    30_B      Y    30_B
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  Y    38_B      Y    38_B
#   possible swapping detected:  E    40_B      E    40_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  E    77_B      E    77_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  Y    81_B      Y    81_B
#   possible swapping detected:  Y    98_B      Y    98_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     2_B      G     2_B     9.726     0    0.330   0.330     9.726    3.452    3.452
LGA    V     3_B      V     3_B     5.407     0    0.226   0.363     7.554   28.452   27.075
LGA    S     4_B      S     4_B     3.516     0    0.478   0.479     6.241   46.667   37.540
LGA    D     5_B      D     5_B     2.719     0    0.545   1.308     4.535   50.714   63.214
LGA    V     6_B      V     6_B     1.200     0    0.035   1.048     2.875   81.429   76.735
LGA    P     7_B      P     7_B     0.597     0    0.051   0.222     1.223   90.476   90.544
LGA    R     8_B      R     8_B     0.729     0    0.061   1.444     7.427   90.476   66.537
LGA    D     9_B      D     9_B     0.529     0    0.084   1.144     3.752   92.857   83.512
LGA    L    10_B      L    10_B     0.502     0    0.036   0.097     0.700   92.857   92.857
LGA    E    11_B      E    11_B     0.601     0    0.067   0.648     2.344   95.238   81.164
LGA    V    12_B      V    12_B     0.666     0    0.043   0.121     1.015   95.238   91.905
LGA    V    13_B      V    13_B     0.423     0    0.043   0.078     0.611   97.619   97.279
LGA    A    14_B      A    14_B     0.560     0    0.062   0.061     0.794   97.619   96.190
LGA    A    15_B      A    15_B     0.411     0    0.043   0.049     0.587   97.619   98.095
LGA    T    16_B      T    16_B     0.515     0    0.042   1.156     2.642   92.857   83.673
LGA    P    17_B      P    17_B     0.810     0    0.082   0.091     1.759   92.857   86.735
LGA    T    18_B      T    18_B     0.971     0    0.231   1.034     3.691   88.214   81.156
LGA    S    19_B      S    19_B     0.238     0    0.031   0.523     1.636   97.619   93.889
LGA    L    20_B      L    20_B     0.388     0    0.038   0.877     2.419  100.000   92.202
LGA    L    21_B      L    21_B     0.559     0    0.047   1.150     3.112   95.238   84.583
LGA    I    22_B      I    22_B     0.334     0    0.060   0.158     0.676   97.619   98.810
LGA    S    23_B      S    23_B     0.274     0    0.006   0.080     0.522   97.619   98.413
LGA    W    24_B      W    24_B     0.358     0    0.081   0.114     0.436  100.000  100.000
LGA    D    25_B      D    25_B     0.924     0    0.000   0.198     1.037   85.952   88.214
LGA    A    26_B      A    26_B     1.508     0    0.075   0.084     1.791   75.000   74.571
LGA    P    27_B      P    27_B     1.952     0    0.051   0.213     2.374   68.810   69.388
LGA    P    28_B      P    28_B     2.755     0    0.680   0.785     5.156   49.524   49.796
LGA    Y    29_B      Y    29_B     2.050     0    0.134   1.385    10.532   70.833   38.849
LGA    Y    30_B      Y    30_B     1.476     0    0.084   0.204     2.262   79.286   75.079
LGA    V    31_B      V    31_B     0.603     0    0.024   0.072     1.272   90.476   89.184
LGA    R    32_B      R    32_B     0.930     0    0.046   1.099     8.611   88.214   55.195
LGA    Y    33_B      Y    33_B     0.786     0    0.081   1.422     7.850   90.476   61.230
LGA    Y    34_B      Y    34_B     0.532     0    0.079   0.169     0.807   95.238   93.651
LGA    R    35_B      R    35_B     0.129     0    0.000   0.783     2.408  100.000   86.840
LGA    I    36_B      I    36_B     0.209     0    0.000   0.344     1.083  100.000   97.679
LGA    T    37_B      T    37_B     0.086     0    0.091   1.225     2.606  100.000   88.844
LGA    Y    38_B      Y    38_B     0.184     0    0.035   0.208     0.459  100.000  100.000
LGA    G    39_B      G    39_B     0.493     0    0.022   0.022     0.558   95.238   95.238
LGA    E    40_B      E    40_B     0.833     0    0.066   0.656     3.541   85.952   72.963
LGA    T    41_B      T    41_B     1.550     0    0.180   0.177     2.246   72.976   71.769
LGA    G    42_B      G    42_B     3.151     0    0.079   0.079     3.912   53.810   53.810
LGA    G    43_B      G    43_B     1.646     0    0.071   0.071     1.835   77.143   77.143
LGA    N    44_B      N    44_B     0.786     3    0.477   0.444     1.796   86.071   54.345
LGA    S    45_B      S    45_B     0.678     0    0.096   0.145     1.056   88.214   88.968
LGA    P    46_B      P    46_B     1.512     0    0.078   0.140     1.704   79.286   80.272
LGA    V    47_B      V    47_B     1.062     0    0.000   1.130     3.136   85.952   77.143
LGA    Q    48_B      Q    48_B     0.869     0    0.090   0.315     1.231   88.214   89.471
LGA    E    49_B      E    49_B     0.400     0    0.068   0.697     2.771   95.238   83.228
LGA    F    50_B      F    50_B     0.501     0    0.078   0.301     0.873   92.857   96.537
LGA    T    51_B      T    51_B     0.788     0    0.000   0.135     1.266   90.476   89.184
LGA    V    52_B      V    52_B     0.778     0    0.052   0.916     2.709   90.476   82.041
LGA    P    53_B      P    53_B     0.184     0    0.026   0.083     0.541  100.000   98.639
LGA    G    54_B      G    54_B     0.418     0    0.113   0.113     0.634   97.619   97.619
LGA    S    55_B      S    55_B     0.189     0    0.154   0.659     2.187   97.619   92.540
LGA    K    56_B      K    56_B     0.835     0    0.072   0.914     3.764   88.214   76.561
LGA    S    57_B      S    57_B     0.747     0    0.170   0.694     1.850   88.214   86.032
LGA    T    58_B      T    58_B     0.475     0    0.000   1.050     2.532   95.238   86.122
LGA    A    59_B      A    59_B     0.356     0    0.052   0.053     0.383  100.000  100.000
LGA    T    60_B      T    60_B     0.086     0    0.028   0.079     0.419  100.000  100.000
LGA    I    61_B      I    61_B     0.506     0    0.060   0.082     0.802   95.238   92.857
LGA    S    62_B      S    62_B     0.609     0    0.080   0.083     1.152   90.476   88.968
LGA    G    63_B      G    63_B     0.614     0    0.117   0.117     1.013   88.214   88.214
LGA    L    64_B      L    64_B     0.402     0    0.072   0.116     0.887   97.619   97.619
LGA    K    65_B      K    65_B     0.165     2    0.032   0.532     2.150  100.000   70.847
LGA    P    66_B      P    66_B     0.567     0    0.041   0.147     1.191   97.619   93.265
LGA    G    67_B      G    67_B     0.608     0    0.059   0.059     0.656   90.476   90.476
LGA    V    68_B      V    68_B     0.499     0    0.024   0.134     0.758   95.238   94.558
LGA    D    69_B      D    69_B     0.392     0    0.061   0.176     0.715  100.000   98.810
LGA    Y    70_B      Y    70_B     0.366     0    0.040   0.055     0.974  100.000   93.651
LGA    T    71_B      T    71_B     0.295     0    0.041   0.107     0.426  100.000  100.000
LGA    I    72_B      I    72_B     0.380     0    0.041   0.346     1.702  100.000   93.036
LGA    T    73_B      T    73_B     0.496     0    0.048   0.112     0.784   95.238   95.918
LGA    V    74_B      V    74_B     0.280     0    0.000   0.095     0.355  100.000  100.000
LGA    Y    75_B      Y    75_B     0.142     0    0.000   0.133     0.468  100.000  100.000
LGA    A    76_B      A    76_B     0.580     0    0.000   0.045     0.920   92.857   92.381
LGA    E    77_B      E    77_B     1.223     0    0.000   1.365     5.759   83.690   61.164
LGA    H    78_B      H    78_B     0.975     0    0.620   1.300     6.279   79.524   57.000
LGA    P    79_B      P    79_B     3.307     0    0.071   0.345     7.496   57.500   40.476
LGA    Y    80_B      Y    80_B     1.002     0    0.053   1.279    12.606   68.452   33.611
LGA    Y    81_B      Y    81_B     5.384     0    0.403   1.329     8.842   21.548   23.056
LGA    D    82_B      D    82_B    10.606     0    0.649   0.529    14.636    1.190    0.595
LGA    P    83_B      P    83_B    13.260     0    0.653   0.593    15.868    0.000    0.000
LGA    S    84_B      S    84_B    14.598     0    0.257   0.620    18.802    0.000    0.000
LGA    S    85_B      S    85_B     8.837     0    0.271   0.578    10.657    3.095    4.444
LGA    S    86_B      S    86_B     6.627     0    0.212   0.675     7.180   12.500   12.857
LGA    Y    87_B      Y    87_B     8.022     0    0.590   1.391    13.407    4.405    1.746
LGA    Y    88_B      Y    88_B     7.486     0    0.135   1.091    12.584   22.024    8.095
LGA    F    89_B      F    89_B     4.762     0    0.144   1.347    12.074   35.476   17.662
LGA    S    90_B      S    90_B     0.764     0    0.256   0.677     2.441   86.071   80.317
LGA    S    91_B      S    91_B     0.700     0    0.030   0.062     1.008   95.238   92.143
LGA    K    92_B      K    92_B     0.232     0    0.000   0.592     3.100  100.000   90.212
LGA    P    93_B      P    93_B     0.420     0    0.063   0.159     1.359  100.000   93.333
LGA    I    94_B      I    94_B     0.281     0    0.073   1.160     2.603  100.000   84.881
LGA    S    95_B      S    95_B     0.611     0    0.049   0.071     0.740   90.476   90.476
LGA    I    96_B      I    96_B     0.537     0    0.013   1.199     2.618   95.238   81.310
LGA    N    97_B      N    97_B     0.382     0    0.024   0.161     0.829  100.000   97.619
LGA    Y    98_B      Y    98_B     0.369     0    0.104   0.173     0.816   97.619   99.206
LGA    R    99_B      R    99_B     0.436     3    0.078   0.163     0.928  100.000   69.264
LGA    T   100_B      T   100_B     0.659     0    0.068   0.893     2.524   90.476   83.129
LGA    P   101_B      P   101_B     0.670     0    0.240   0.355     1.811   83.810   86.667
LGA    H   102_B      H   102_B     3.021     0    0.153   1.334     6.978   37.381   51.095
LGA    H   103_B      H   103_B     8.795     0    0.245   0.608    11.129    8.214    3.286
LGA    H   104_B      H   104_B    11.386     5    0.055   0.063    14.261    0.000    0.000
LGA    H   105_B      H   105_B     9.452     0    0.065   0.429    12.808    0.476    2.714
LGA    H   106_B      H   106_B    16.837     0    0.054   0.974    18.676    0.000    0.000
LGA    H   107_B      H   107_B    21.748     0    0.083   1.469    25.175    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      106     424    424  100.00     830    830  100.00               106
SUMMARY(RMSD_GDC):     4.205          4.217                  4.968           77.196   71.704

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  106    4.0     92    1.30    83.255    78.784     6.550

LGA_LOCAL      RMSD:   1.305  Number of atoms:   92  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.427  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   4.205  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.840949 * X  +   0.089772 * Y  +   0.533616 * Z  +  56.010124
  Y_new =  -0.231091 * X  +  -0.951273 * Y  +  -0.204150 * Z  + 412.080963
  Z_new =   0.489288 * X  +  -0.294993 * Y  +   0.820717 * Z  + -214.559601 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.873415 -0.511273 -0.345054   [DEG: -164.6345  -29.2938  -19.7701 ]
ZXZ:  1.205399  0.608131  2.113348   [DEG:   69.0643   34.8434  121.0859 ]
 
# END of job
