
#######################################################
#                                                     #
#                        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  138 ( 1163),  selected  106 , name one
# Molecule2: number of CA atoms  106 (  891),  selected  106 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   106      12_A - 117_A       2.97     2.97
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101      14_A - 114_A       2.00     3.04
  LCS_AVERAGE:     93.52

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83      16_A - 98_A        0.96     3.63
  LCS_AVERAGE:     65.85

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     Q    12_A     Q    12_A      5   97  106      3    5    6    8   14   31   66   85   89   92   94   97   99  101  103  104  104  104  105  106 
LCS_GDT     D    13_A     D    13_A      5  100  106      3    5    6   32   58   79   83   85   90   92   95   98  101  102  103  104  104  104  105  106 
LCS_GDT     P    14_A     P    14_A      5  101  106      3    5    6   10   29   60   79   85   89   92   94   97   99  102  103  104  104  104  105  106 
LCS_GDT     G    15_A     G    15_A     43  101  106      3    5   12   42   81   83   87   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     I    16_A     I    16_A     83  101  106      8   78   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     N    17_A     N    17_A     83  101  106     57   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     R    18_A     R    18_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     K    19_A     K    19_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     A    20_A     A    20_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     I    21_A     I    21_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     N    22_A     N    22_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     F    23_A     F    23_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     D    24_A     D    24_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     L    25_A     L    25_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     S    26_A     S    26_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     T    27_A     T    27_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     K    28_A     K    28_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     S    29_A     S    29_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     L    30_A     L    30_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     E    31_A     E    31_A     83  101  106     56   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     K    32_A     K    32_A     83  101  106     56   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     Y    33_A     Y    33_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     F    34_A     F    34_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     K    35_A     K    35_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     D    36_A     D    36_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     T    37_A     T    37_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     R    38_A     R    38_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     E    39_A     E    39_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     P    40_A     P    40_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     Y    41_A     Y    41_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     S    42_A     S    42_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     L    43_A     L    43_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     I    44_A     I    44_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     K    45_A     K    45_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     K    46_A     K    46_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     F    47_A     F    47_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     M    48_A     M    48_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     L    49_A     L    49_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     E    50_A     E    50_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     N    51_A     N    51_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     G    52_A     G    52_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     F    53_A     F    53_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     E    54_A     E    54_A     83  101  106     22   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     H    55_A     H    55_A     83  101  106     40   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     R    56_A     R    56_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     Q    57_A     Q    57_A     83  101  106      3    3   18   31   76   88   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     Y    58_A     Y    58_A     83  101  106      3    3    8   43   65   92   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     S    59_A     S    59_A     83  101  106      3    3   27   47   69   92   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     G    60_A     G    60_A     83  101  106     56   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     Y    61_A     Y    61_A     83  101  106     37   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     T    62_A     T    62_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     S    63_A     S    63_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     K    64_A     K    64_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     E    65_A     E    65_A     83  101  106     54   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     P    66_A     P    66_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     I    67_A     I    67_A     83  101  106     54   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     N    68_A     N    68_A     83  101  106     53   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     E    69_A     E    69_A     83  101  106     46   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     R    70_A     R    70_A     83  101  106     57   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     R    71_A     R    71_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     V    72_A     V    72_A     83  101  106     40   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     I    73_A     I    73_A     83  101  106     17   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     R    74_A     R    74_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     I    75_A     I    75_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     I    76_A     I    76_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     N    77_A     N    77_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     K    78_A     K    78_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     L    79_A     L    79_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     T    80_A     T    80_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     K    81_A     K    81_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     K    82_A     K    82_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     F    83_A     F    83_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     T    84_A     T    84_A     83  101  106     52   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     W    85_A     W    85_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     L    86_A     L    86_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     G    87_A     G    87_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     E    88_A     E    88_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     C    89_A     C    89_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     V    90_A     V    90_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     K    91_A     K    91_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     E    92_A     E    92_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     F    93_A     F    93_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     D    94_A     D    94_A     83  101  106     56   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     I    95_A     I    95_A     83  101  106     37   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     T    96_A     T    96_A     83  101  106     58   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     E    97_A     E    97_A     83  101  106     52   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     I    98_A     I    98_A     83  101  106     52   79   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     G    99_A     G    99_A     43  101  106      3   37   69   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     E   100_A     E   100_A     43  101  106      6   37   68   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     Q   101_A     Q   101_A     43  101  106      8   54   81   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     Y   102_A     Y   102_A     43  101  106      6   24   73   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     S   103_A     S   103_A     36  101  106      6   18   44   81   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     L   104_A     L   104_A     32  101  106      9   20   67   85   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     K   105_A     K   105_A     20  101  106      9   20   42   80   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     E   106_A     E   106_A     20  101  106      9   20   36   71   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     T   107_A     T   107_A     20  101  106      9   20   48   81   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     I   108_A     I   108_A     20  101  106      9   20   48   81   90   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     Q   109_A     Q   109_A     20  101  106      9   20   36   62   88   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     D   110_A     D   110_A     20  101  106      9   20   36   60   88   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     L   111_A     L   111_A     20  101  106      9   20   38   71   88   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     C   112_A     C   112_A     20  101  106      9   20   36   61   88   94   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     A   113_A     A   113_A     20  101  106      7   13   27   47   65   88   96   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     K   114_A     K   114_A     20  101  106      3    4   11   41   64   92   97   99   99  100  100  101  101  102  103  104  104  104  105  106 
LCS_GDT     D   115_A     D   115_A      4  100  106      3    4    4    5    5    7    8   33   44   73   98  101  101  101  102  104  104  104  105  106 
LCS_GDT     F   116_A     F   116_A      4    5  106      3    4    4    5    5    7    7   10   12   58   65   71   76   80   96  102  103  104  104  106 
LCS_GDT     H   117_A     H   117_A      4    5  106      3    4    4    5    5    7    7   10   13   58   65   71   87  100  102  102  103  104  105  106 
LCS_AVERAGE  LCS_A:  86.46  (  65.85   93.52  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     58     79     81     85     90     94     97     99     99    100    100    101    101    102    103    104    104    104    105    106 
GDT PERCENT_AT  54.72  74.53  76.42  80.19  84.91  88.68  91.51  93.40  93.40  94.34  94.34  95.28  95.28  96.23  97.17  98.11  98.11  98.11  99.06 100.00
GDT RMS_LOCAL    0.32   0.46   0.54   0.84   1.20   1.48   1.64   1.75   1.73   1.81   1.81   2.01   2.01   2.12   2.27   2.44   2.44   2.44   2.70   2.97
GDT RMS_ALL_AT   3.69   3.71   3.67   3.50   3.26   3.11   3.07   3.04   3.06   3.04   3.04   3.02   3.02   3.05   3.06   3.02   3.02   3.02   2.98   2.97

# Checking swapping
#   possible swapping detected:  F    23_A      F    23_A
#   possible swapping detected:  E    31_A      E    31_A
#   possible swapping detected:  Y    33_A      Y    33_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  F    53_A      F    53_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  E    97_A      E    97_A
#   possible swapping detected:  E   100_A      E   100_A
#   possible swapping detected:  E   106_A      E   106_A
#   possible swapping detected:  D   115_A      D   115_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    12_A      Q    12_A     9.404     0    0.400   1.146    11.530    1.190    4.868
LGA    D    13_A      D    13_A     8.042     0    0.066   0.873     9.733    7.500    7.619
LGA    P    14_A      P    14_A     8.980     0    0.659   0.616    11.068    3.571    2.041
LGA    G    15_A      G    15_A     4.950     0    0.254   0.254     5.824   33.333   33.333
LGA    I    16_A      I    16_A     2.253     0    0.018   0.092     3.225   59.167   66.012
LGA    N    17_A      N    17_A     1.822     0    0.016   1.047     3.889   77.143   67.321
LGA    R    18_A      R    18_A     1.258     0    0.044   0.493     2.468   83.690   78.398
LGA    K    19_A      K    19_A     0.968     0    0.022   0.360     2.132   85.952   85.608
LGA    A    20_A      A    20_A     0.958     0    0.021   0.022     1.072   90.476   88.667
LGA    I    21_A      I    21_A     0.908     0    0.027   0.041     1.122   88.214   89.345
LGA    N    22_A      N    22_A     0.857     0    0.044   0.616     2.028   90.476   86.131
LGA    F    23_A      F    23_A     0.780     0    0.014   0.131     1.078   90.476   88.831
LGA    D    24_A      D    24_A     0.786     0    0.048   0.146     0.974   90.476   90.476
LGA    L    25_A      L    25_A     0.858     0    0.018   0.057     0.924   90.476   90.476
LGA    S    26_A      S    26_A     0.951     0    0.036   0.049     1.054   88.214   87.460
LGA    T    27_A      T    27_A     1.251     0    0.029   0.109     1.313   81.429   81.429
LGA    K    28_A      K    28_A     1.329     0    0.010   1.007     5.546   81.429   67.937
LGA    S    29_A      S    29_A     1.096     0    0.030   0.065     1.126   81.429   82.937
LGA    L    30_A      L    30_A     1.120     0    0.027   0.091     1.274   81.429   81.429
LGA    E    31_A      E    31_A     1.304     0    0.016   0.183     1.546   81.429   80.476
LGA    K    32_A      K    32_A     1.261     0    0.049   0.968     6.408   81.429   58.677
LGA    Y    33_A      Y    33_A     1.418     0    0.043   0.068     1.592   79.286   80.714
LGA    F    34_A      F    34_A     1.652     0    0.039   0.128     1.782   72.857   72.857
LGA    K    35_A      K    35_A     2.228     0    0.009   0.408     3.430   64.762   59.788
LGA    D    36_A      D    36_A     2.156     0    0.026   0.178     2.361   66.786   65.774
LGA    T    37_A      T    37_A     2.144     0    0.037   0.042     2.341   66.786   65.918
LGA    R    38_A      R    38_A     1.919     0    0.018   1.251     6.064   70.833   58.874
LGA    E    39_A      E    39_A     1.659     0    0.027   0.107     2.185   77.143   73.862
LGA    P    40_A      P    40_A     1.450     0    0.020   0.043     1.719   79.286   77.755
LGA    Y    41_A      Y    41_A     1.375     0    0.040   0.228     2.260   81.429   73.730
LGA    S    42_A      S    42_A     1.523     0    0.020   0.615     2.853   72.857   70.238
LGA    L    43_A      L    43_A     1.417     0    0.017   0.182     1.618   81.429   80.357
LGA    I    44_A      I    44_A     1.148     0    0.018   0.112     1.282   81.429   81.429
LGA    K    45_A      K    45_A     1.241     0    0.024   0.056     1.532   81.429   79.524
LGA    K    46_A      K    46_A     1.289     0    0.009   0.598     2.230   81.429   76.772
LGA    F    47_A      F    47_A     1.005     0    0.055   0.067     1.136   85.952   88.009
LGA    M    48_A      M    48_A     0.882     0    0.012   0.758     3.154   90.476   86.607
LGA    L    49_A      L    49_A     0.965     0    0.044   0.363     1.753   90.476   87.143
LGA    E    50_A      E    50_A     0.841     0    0.017   0.158     1.788   90.476   85.503
LGA    N    51_A      N    51_A     0.455     0    0.019   0.034     0.770   97.619   94.048
LGA    G    52_A      G    52_A     0.457     0    0.100   0.100     0.851   95.238   95.238
LGA    F    53_A      F    53_A     0.951     0    0.020   0.060     1.349   85.952   91.429
LGA    E    54_A      E    54_A     1.807     0    0.028   0.122     2.834   75.000   68.519
LGA    H    55_A      H    55_A     1.610     0    0.051   0.253     2.459   72.857   70.429
LGA    R    56_A      R    56_A     1.597     0    0.481   0.779     3.200   68.929   66.407
LGA    Q    57_A      Q    57_A     3.712     0    0.609   0.833     8.279   36.905   23.968
LGA    Y    58_A      Y    58_A     4.062     0    0.238   1.275    11.233   41.905   22.460
LGA    S    59_A      S    59_A     3.594     0    0.519   0.489     4.989   45.238   41.587
LGA    G    60_A      G    60_A     0.902     0    0.149   0.149     0.952   90.476   90.476
LGA    Y    61_A      Y    61_A     1.269     0    0.128   0.197     1.464   81.429   81.429
LGA    T    62_A      T    62_A     1.198     0    0.029   1.157     2.351   81.429   75.442
LGA    S    63_A      S    63_A     1.038     0    0.032   0.070     1.194   81.429   82.937
LGA    K    64_A      K    64_A     1.383     0    0.069   0.776     1.843   79.286   78.571
LGA    E    65_A      E    65_A     1.553     0    0.038   0.133     2.021   75.000   74.815
LGA    P    66_A      P    66_A     1.604     0    0.037   0.052     1.705   72.857   72.857
LGA    I    67_A      I    67_A     1.406     0    0.078   1.036     2.432   79.286   75.119
LGA    N    68_A      N    68_A     1.533     0    0.027   0.187     1.613   77.143   78.274
LGA    E    69_A      E    69_A     1.781     0    0.026   0.877     5.952   75.000   57.725
LGA    R    70_A      R    70_A     1.395     0    0.020   1.362     5.740   81.429   66.407
LGA    R    71_A      R    71_A     0.391     0    0.038   1.395     8.212   95.238   59.524
LGA    V    72_A      V    72_A     1.048     0    0.015   0.030     1.701   85.952   80.340
LGA    I    73_A      I    73_A     1.422     0    0.102   1.513     4.636   83.690   73.155
LGA    R    74_A      R    74_A     0.826     0    0.032   1.442     5.119   90.476   74.026
LGA    I    75_A      I    75_A     0.070     0    0.033   0.076     0.820  100.000   97.619
LGA    I    76_A      I    76_A     0.374     0    0.024   0.061     1.059  100.000   92.976
LGA    N    77_A      N    77_A     0.884     0    0.032   1.317     2.658   90.476   81.012
LGA    K    78_A      K    78_A     0.916     0    0.011   0.674     2.588   88.214   80.899
LGA    L    79_A      L    79_A     0.659     0    0.049   0.075     0.895   90.476   91.667
LGA    T    80_A      T    80_A     0.721     0    0.030   0.107     0.927   90.476   90.476
LGA    K    81_A      K    81_A     1.282     0    0.020   0.280     2.497   81.429   77.672
LGA    K    82_A      K    82_A     1.278     0    0.018   0.467     3.006   79.286   76.984
LGA    F    83_A      F    83_A     1.240     0    0.019   0.186     2.056   83.690   77.619
LGA    T    84_A      T    84_A     1.529     0    0.035   0.064     2.336   77.143   71.837
LGA    W    85_A      W    85_A     1.234     0    0.069   0.084     1.639   85.952   80.884
LGA    L    86_A      L    86_A     1.052     0    0.013   0.290     1.087   81.429   84.821
LGA    G    87_A      G    87_A     1.055     0    0.021   0.021     1.147   81.429   81.429
LGA    E    88_A      E    88_A     1.092     0    0.076   1.035     2.604   81.429   75.873
LGA    C    89_A      C    89_A     1.014     0    0.057   0.058     1.035   88.214   87.460
LGA    V    90_A      V    90_A     0.882     0    0.005   0.162     1.104   90.476   89.184
LGA    K    91_A      K    91_A     0.643     0    0.027   0.487     1.530   90.476   86.508
LGA    E    92_A      E    92_A     0.593     0    0.064   0.585     2.139   90.476   81.746
LGA    F    93_A      F    93_A     0.546     0    0.064   0.091     1.117   92.857   89.697
LGA    D    94_A      D    94_A     0.496     0    0.012   0.031     0.666   95.238   97.619
LGA    I    95_A      I    95_A     0.515     0    0.051   1.154     2.905   90.476   80.119
LGA    T    96_A      T    96_A     0.977     0    0.083   0.293     1.646   88.214   85.374
LGA    E    97_A      E    97_A     0.789     0    0.035   0.825     3.497   90.476   83.016
LGA    I    98_A      I    98_A     0.754     0    0.129   1.469     3.143   90.476   79.048
LGA    G    99_A      G    99_A     2.163     0    0.483   0.483     3.659   63.571   63.571
LGA    E   100_A      E   100_A     2.286     0    0.058   1.061     3.728   68.810   58.413
LGA    Q   101_A      Q   101_A     0.961     0    0.053   0.939     4.395   83.690   72.169
LGA    Y   102_A      Y   102_A     1.442     0    0.029   0.202     3.312   83.690   68.611
LGA    S   103_A      S   103_A     2.218     0    0.019   0.039     3.523   64.762   58.730
LGA    L   104_A      L   104_A     1.553     0    0.081   0.175     1.931   72.857   77.202
LGA    K   105_A      K   105_A     2.353     0    0.030   0.777     6.782   62.857   49.048
LGA    E   106_A      E   106_A     2.755     0    0.028   1.220     6.210   57.143   41.852
LGA    T   107_A      T   107_A     2.307     0    0.026   0.133     2.530   62.857   65.986
LGA    I   108_A      I   108_A     2.273     0    0.026   0.089     2.622   60.952   64.881
LGA    Q   109_A      Q   109_A     3.348     0    0.007   0.118     3.885   48.452   45.608
LGA    D   110_A      D   110_A     3.721     0    0.002   0.190     4.420   45.000   41.845
LGA    L   111_A      L   111_A     3.021     0    0.031   0.069     3.515   48.333   56.607
LGA    C   112_A      C   112_A     3.651     0    0.360   0.385     4.028   43.452   44.524
LGA    A   113_A      A   113_A     5.340     0    0.118   0.125     6.006   26.190   24.381
LGA    K   114_A      K   114_A     4.311     0    0.473   0.852    11.194   31.548   22.487
LGA    D   115_A      D   115_A     9.101     0    0.111   0.980    11.891    2.857    1.429
LGA    F   116_A      F   116_A    13.603     0    0.640   1.420    22.802    0.000    0.000
LGA    H   117_A      H   117_A    12.284     0    0.194   0.486    18.886    0.476    0.190

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      106     424    424  100.00     891    891  100.00               106
SUMMARY(RMSD_GDC):     2.965          2.918                  3.703           73.397   69.421

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  138  106    4.0     99    1.75    86.557    89.360     5.345

LGA_LOCAL      RMSD:   1.752  Number of atoms:   99  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.042  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   2.965  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.742870 * X  +   0.669407 * Y  +   0.006146 * Z  +  -4.853922
  Y_new =   0.391485 * X  +   0.426964 * Y  +   0.815133 * Z  + -41.497135
  Z_new =   0.543032 * X  +   0.607944 * Y  +  -0.579242 * Z  +  -3.756968 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.656586 -0.574043  2.332023   [DEG:  152.2112  -32.8903  133.6151 ]
ZXZ:  3.134053  2.188595  0.729060   [DEG:  179.5680  125.3972   41.7721 ]
 
# END of job
