
#######################################################
#                                                     #
#                        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:   100      14_A - 113_A       1.96     3.06
  LONGEST_CONTINUOUS_SEGMENT:   100      15_A - 114_A       1.82     3.04
  LONGEST_CONTINUOUS_SEGMENT:   100      16_A - 115_A       1.96     3.03
  LCS_AVERAGE:     92.61

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83      16_A - 98_A        0.97     3.64
  LCS_AVERAGE:     65.87

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      6   97  106      3    5    6   10   15   31   55   85   90   91   94   97   99  102  103  103  104  104  105  106 
LCS_GDT     D    13_A     D    13_A      6   99  106      3    5    8   32   60   79   83   85   90   93   95   98  100  102  103  103  104  104  105  106 
LCS_GDT     P    14_A     P    14_A      6  100  106      3    5    6   10   28   57   79   85   90   91   94   97   99  102  103  103  104  104  105  106 
LCS_GDT     G    15_A     G    15_A     43  100  106      3    5    7   23   78   83   87   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     I    16_A     I    16_A     83  100  106      7   77   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     N    17_A     N    17_A     83  100  106     55   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     R    18_A     R    18_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     K    19_A     K    19_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     A    20_A     A    20_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     I    21_A     I    21_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     N    22_A     N    22_A     83  100  106     58   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     F    23_A     F    23_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     D    24_A     D    24_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     L    25_A     L    25_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     S    26_A     S    26_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     T    27_A     T    27_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     K    28_A     K    28_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     S    29_A     S    29_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     L    30_A     L    30_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     E    31_A     E    31_A     83  100  106     54   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     K    32_A     K    32_A     83  100  106     54   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     Y    33_A     Y    33_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     F    34_A     F    34_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     K    35_A     K    35_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     D    36_A     D    36_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     T    37_A     T    37_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     R    38_A     R    38_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     E    39_A     E    39_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     P    40_A     P    40_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     Y    41_A     Y    41_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     S    42_A     S    42_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     L    43_A     L    43_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     I    44_A     I    44_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     K    45_A     K    45_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     K    46_A     K    46_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     F    47_A     F    47_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     M    48_A     M    48_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     L    49_A     L    49_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     E    50_A     E    50_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     N    51_A     N    51_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     G    52_A     G    52_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     F    53_A     F    53_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     E    54_A     E    54_A     83  100  106     14   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     H    55_A     H    55_A     83  100  106     49   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     R    56_A     R    56_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     Q    57_A     Q    57_A     83  100  106      3   10   20   30   78   88   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     Y    58_A     Y    58_A     83  100  106      3    3    8   35   61   88   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     S    59_A     S    59_A     83  100  106      3    3   26   43   68   92   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     G    60_A     G    60_A     83  100  106     58   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     Y    61_A     Y    61_A     83  100  106     41   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     T    62_A     T    62_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     S    63_A     S    63_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     K    64_A     K    64_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     E    65_A     E    65_A     83  100  106     55   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     P    66_A     P    66_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     I    67_A     I    67_A     83  100  106     47   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     N    68_A     N    68_A     83  100  106     48   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     E    69_A     E    69_A     83  100  106     45   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     R    70_A     R    70_A     83  100  106     52   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     R    71_A     R    71_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     V    72_A     V    72_A     83  100  106     38   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     I    73_A     I    73_A     83  100  106     16   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     R    74_A     R    74_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     I    75_A     I    75_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     I    76_A     I    76_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     N    77_A     N    77_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     K    78_A     K    78_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     L    79_A     L    79_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     T    80_A     T    80_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     K    81_A     K    81_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     K    82_A     K    82_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     F    83_A     F    83_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     T    84_A     T    84_A     83  100  106     51   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     W    85_A     W    85_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     L    86_A     L    86_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     G    87_A     G    87_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     E    88_A     E    88_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     C    89_A     C    89_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     V    90_A     V    90_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     K    91_A     K    91_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     E    92_A     E    92_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     F    93_A     F    93_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     D    94_A     D    94_A     83  100  106     47   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     I    95_A     I    95_A     83  100  106     41   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     T    96_A     T    96_A     83  100  106     59   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     E    97_A     E    97_A     83  100  106     50   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     I    98_A     I    98_A     83  100  106     50   79   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     G    99_A     G    99_A     43  100  106     18   32   69   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     E   100_A     E   100_A     43  100  106     18   32   62   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     Q   101_A     Q   101_A     43  100  106      7   53   81   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     Y   102_A     Y   102_A     43  100  106      6   24   73   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     S   103_A     S   103_A     35  100  106      6   18   46   81   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     L   104_A     L   104_A     32  100  106      9   20   71   85   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     K   105_A     K   105_A     20  100  106      9   20   40   81   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     E   106_A     E   106_A     20  100  106      9   20   38   75   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     T   107_A     T   107_A     20  100  106      9   20   49   81   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     I   108_A     I   108_A     20  100  106      9   20   49   81   90   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     Q   109_A     Q   109_A     20  100  106      9   20   36   61   88   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     D   110_A     D   110_A     20  100  106      9   20   36   61   88   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     L   111_A     L   111_A     20  100  106      9   20   38   73   88   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     C   112_A     C   112_A     20  100  106      9   20   36   61   88   94   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     A   113_A     A   113_A     20  100  106      4   13   26   46   65   88   96   99  100  100  100  100  101  101  103  103  104  104  105  106 
LCS_GDT     K   114_A     K   114_A     20  100  106      3    4   11   36   65   92   97   99  100  100  100  100  101  102  103  103  104  104  105  106 
LCS_GDT     D   115_A     D   115_A      4  100  106      3    4    4    5    6    6    8   10   44   71   99  100  101  101  102  102  104  104  105  106 
LCS_GDT     F   116_A     F   116_A      4    5  106      3    4    4    5    6    6    7    8   12   56   61   70   75   78   96  102  103  104  105  106 
LCS_GDT     H   117_A     H   117_A      4    5  106      3    4    4    5    6    6    7    8   13   56   61   70   82  100  102  102  103  104  105  106 
LCS_AVERAGE  LCS_A:  86.16  (  65.87   92.61  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     59     79     81     85     90     94     97     99    100    100    100    100    101    102    103    103    104    104    105    106 
GDT PERCENT_AT  55.66  74.53  76.42  80.19  84.91  88.68  91.51  93.40  94.34  94.34  94.34  94.34  95.28  96.23  97.17  97.17  98.11  98.11  99.06 100.00
GDT RMS_LOCAL    0.33   0.47   0.55   0.85   1.21   1.48   1.65   1.76   1.82   1.82   1.82   1.82   2.01   2.20   2.27   2.27   2.44   2.44   2.70   2.97
GDT RMS_ALL_AT   3.73   3.71   3.68   3.51   3.27   3.12   3.07   3.05   3.04   3.04   3.04   3.04   3.02   3.10   3.06   3.06   3.03   3.03   2.98   2.97

# Checking swapping
#   possible swapping detected:  D    13_A      D    13_A
#   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   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     9.384     0    0.463   1.192    11.568    1.190    4.868
LGA    D    13_A      D    13_A     7.951     0    0.047   1.234     9.155    8.095    7.679
LGA    P    14_A      P    14_A     9.015     0    0.651   0.633    11.229    2.381    1.361
LGA    G    15_A      G    15_A     5.068     0    0.149   0.149     5.813   30.476   30.476
LGA    I    16_A      I    16_A     2.356     0    0.099   0.108     3.420   59.167   65.000
LGA    N    17_A      N    17_A     1.892     0    0.032   1.085     3.709   77.143   67.321
LGA    R    18_A      R    18_A     1.274     0    0.052   0.580     2.842   79.286   76.104
LGA    K    19_A      K    19_A     1.018     0    0.022   0.447     2.372   81.429   80.582
LGA    A    20_A      A    20_A     0.983     0    0.018   0.031     0.998   90.476   90.476
LGA    I    21_A      I    21_A     0.888     0    0.024   0.084     1.022   90.476   89.345
LGA    N    22_A      N    22_A     0.922     0    0.008   0.521     2.037   90.476   85.000
LGA    F    23_A      F    23_A     0.751     0    0.039   0.086     0.910   90.476   90.476
LGA    D    24_A      D    24_A     0.743     0    0.060   0.171     0.871   90.476   90.476
LGA    L    25_A      L    25_A     0.872     0    0.069   0.098     1.018   90.476   89.345
LGA    S    26_A      S    26_A     0.871     0    0.078   0.092     0.960   90.476   90.476
LGA    T    27_A      T    27_A     1.225     0    0.073   0.085     1.501   81.429   80.204
LGA    K    28_A      K    28_A     1.232     0    0.058   1.045     5.657   81.429   67.937
LGA    S    29_A      S    29_A     1.131     0    0.049   0.081     1.151   81.429   81.429
LGA    L    30_A      L    30_A     1.129     0    0.054   0.111     1.278   81.429   81.429
LGA    E    31_A      E    31_A     1.305     0    0.017   0.139     1.602   81.429   79.524
LGA    K    32_A      K    32_A     1.206     0    0.067   0.922     5.881   81.429   61.111
LGA    Y    33_A      Y    33_A     1.375     0    0.056   0.106     1.585   79.286   80.714
LGA    F    34_A      F    34_A     1.688     0    0.017   0.111     1.784   75.000   73.636
LGA    K    35_A      K    35_A     2.242     0    0.043   0.412     3.353   64.762   60.582
LGA    D    36_A      D    36_A     2.211     0    0.019   0.213     2.449   66.786   65.774
LGA    T    37_A      T    37_A     2.153     0    0.041   0.051     2.263   66.786   65.918
LGA    R    38_A      R    38_A     1.978     0    0.015   1.259     5.965   70.833   57.835
LGA    E    39_A      E    39_A     1.608     0    0.029   0.113     2.051   77.143   73.862
LGA    P    40_A      P    40_A     1.433     0    0.021   0.031     1.581   79.286   77.755
LGA    Y    41_A      Y    41_A     1.431     0    0.036   0.176     2.175   81.429   73.690
LGA    S    42_A      S    42_A     1.499     0    0.030   0.658     2.988   79.286   74.524
LGA    L    43_A      L    43_A     1.328     0    0.031   0.186     1.571   81.429   80.357
LGA    I    44_A      I    44_A     1.155     0    0.035   0.079     1.287   81.429   81.429
LGA    K    45_A      K    45_A     1.267     0    0.048   0.134     2.146   81.429   77.672
LGA    K    46_A      K    46_A     1.211     0    0.036   0.555     2.229   81.429   77.725
LGA    F    47_A      F    47_A     0.970     0    0.040   0.041     1.068   88.214   89.654
LGA    M    48_A      M    48_A     0.943     0    0.021   0.765     3.196   90.476   85.476
LGA    L    49_A      L    49_A     0.960     0    0.066   0.392     1.933   88.214   86.012
LGA    E    50_A      E    50_A     0.700     0    0.027   0.142     1.616   95.238   88.624
LGA    N    51_A      N    51_A     0.373     0    0.063   0.107     0.657   97.619   95.238
LGA    G    52_A      G    52_A     0.502     0    0.069   0.069     0.882   92.857   92.857
LGA    F    53_A      F    53_A     0.971     0    0.033   0.083     1.429   85.952   92.294
LGA    E    54_A      E    54_A     1.833     0    0.015   0.150     2.996   75.000   67.672
LGA    H    55_A      H    55_A     1.561     0    0.043   0.294     2.290   72.857   70.429
LGA    R    56_A      R    56_A     1.636     0    0.499   0.787     3.183   68.929   64.242
LGA    Q    57_A      Q    57_A     3.678     0    0.614   0.850     8.232   36.905   23.968
LGA    Y    58_A      Y    58_A     4.179     0    0.244   1.289    11.224   41.905   22.460
LGA    S    59_A      S    59_A     3.684     0    0.579   0.526     4.897   43.690   40.556
LGA    G    60_A      G    60_A     0.988     0    0.167   0.167     1.043   88.214   88.214
LGA    Y    61_A      Y    61_A     1.220     0    0.113   0.170     1.550   81.429   81.468
LGA    T    62_A      T    62_A     1.152     0    0.030   1.079     2.279   81.429   76.667
LGA    S    63_A      S    63_A     1.099     0    0.031   0.081     1.292   81.429   81.429
LGA    K    64_A      K    64_A     1.350     0    0.023   0.799     1.961   79.286   78.571
LGA    E    65_A      E    65_A     1.490     0    0.044   0.170     1.954   81.429   78.571
LGA    P    66_A      P    66_A     1.537     0    0.052   0.048     1.649   72.857   72.857
LGA    I    67_A      I    67_A     1.445     0    0.043   1.055     2.536   79.286   74.167
LGA    N    68_A      N    68_A     1.596     0    0.029   0.243     1.746   77.143   77.143
LGA    E    69_A      E    69_A     1.815     0    0.045   0.881     6.066   72.857   55.661
LGA    R    70_A      R    70_A     1.496     0    0.052   1.378     6.146   79.286   64.199
LGA    R    71_A      R    71_A     0.324     0    0.066   1.404     8.132   97.619   60.952
LGA    V    72_A      V    72_A     1.061     0    0.074   0.080     1.865   85.952   80.340
LGA    I    73_A      I    73_A     1.480     0    0.103   1.526     4.666   81.429   72.024
LGA    R    74_A      R    74_A     0.903     0    0.019   1.405     5.148   90.476   74.026
LGA    I    75_A      I    75_A     0.121     0    0.059   0.092     0.515  100.000   98.810
LGA    I    76_A      I    76_A     0.377     0    0.069   0.083     1.011   97.619   92.917
LGA    N    77_A      N    77_A     0.891     0    0.097   1.293     2.623   88.214   79.881
LGA    K    78_A      K    78_A     0.983     0    0.030   0.643     2.408   88.214   82.646
LGA    L    79_A      L    79_A     0.704     0    0.073   0.105     1.082   90.476   89.345
LGA    T    80_A      T    80_A     0.700     0    0.029   0.135     1.038   88.214   89.184
LGA    K    81_A      K    81_A     1.255     0    0.015   0.312     2.404   81.429   77.672
LGA    K    82_A      K    82_A     1.405     0    0.048   0.555     3.453   77.143   76.032
LGA    F    83_A      F    83_A     1.269     0    0.011   0.198     2.095   83.690   77.619
LGA    T    84_A      T    84_A     1.466     0    0.081   0.087     2.276   81.429   74.286
LGA    W    85_A      W    85_A     1.185     0    0.065   0.115     1.511   85.952   82.109
LGA    L    86_A      L    86_A     1.024     0    0.010   0.297     1.122   81.429   84.821
LGA    G    87_A      G    87_A     0.977     0    0.019   0.019     1.014   88.214   88.214
LGA    E    88_A      E    88_A     1.048     0    0.117   1.089     2.735   83.690   80.794
LGA    C    89_A      C    89_A     1.088     0    0.074   0.092     1.088   85.952   85.952
LGA    V    90_A      V    90_A     0.867     0    0.012   0.157     1.056   88.214   87.891
LGA    K    91_A      K    91_A     0.598     0    0.060   0.513     2.238   90.476   85.608
LGA    E    92_A      E    92_A     0.585     0    0.044   0.596     2.121   90.476   80.847
LGA    F    93_A      F    93_A     0.532     0    0.108   0.127     1.065   92.857   89.697
LGA    D    94_A      D    94_A     0.541     0    0.020   0.082     0.754   90.476   90.476
LGA    I    95_A      I    95_A     0.540     0    0.038   1.174     3.016   90.476   79.226
LGA    T    96_A      T    96_A     1.000     0    0.075   0.333     1.794   88.214   85.374
LGA    E    97_A      E    97_A     0.814     0    0.055   0.768     3.189   90.476   83.016
LGA    I    98_A      I    98_A     0.829     0    0.083   1.463     3.135   90.476   79.048
LGA    G    99_A      G    99_A     2.200     0    0.491   0.491     3.637   63.571   63.571
LGA    E   100_A      E   100_A     2.335     0    0.056   0.995     4.168   66.905   57.672
LGA    Q   101_A      Q   101_A     0.966     0    0.008   0.947     4.138   81.548   72.169
LGA    Y   102_A      Y   102_A     1.444     0    0.005   0.229     2.880   83.690   69.841
LGA    S   103_A      S   103_A     2.188     0    0.028   0.051     3.452   62.857   59.762
LGA    L   104_A      L   104_A     1.509     0    0.046   0.180     1.826   72.857   78.274
LGA    K   105_A      K   105_A     2.355     0    0.038   0.729     6.411   60.952   48.624
LGA    E   106_A      E   106_A     2.716     0    0.089   1.315     6.542   55.357   40.106
LGA    T   107_A      T   107_A     2.218     0    0.017   0.043     2.431   64.762   67.075
LGA    I   108_A      I   108_A     2.289     0    0.021   0.090     2.660   60.952   64.881
LGA    Q   109_A      Q   109_A     3.370     0    0.032   0.313     4.290   48.452   44.921
LGA    D   110_A      D   110_A     3.654     0    0.016   0.170     4.226   46.667   42.679
LGA    L   111_A      L   111_A     3.012     0    0.031   0.044     3.529   48.333   56.607
LGA    C   112_A      C   112_A     3.714     0    0.386   0.413     4.063   43.452   44.524
LGA    A   113_A      A   113_A     5.305     0    0.149   0.167     5.981   27.500   26.286
LGA    K   114_A      K   114_A     4.286     0    0.516   0.892    11.308   31.548   22.487
LGA    D   115_A      D   115_A     9.092     0    0.116   0.984    11.952    3.690    1.845
LGA    F   116_A      F   116_A    13.651     0    0.626   1.365    22.895    0.000    0.000
LGA    H   117_A      H   117_A    12.318     0    0.179   0.480    18.949    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):     2.970          2.922                  3.714           73.328   69.348

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  138  106    4.0     99    1.76    86.321    89.129     5.331

LGA_LOCAL      RMSD:   1.757  Number of atoms:   99  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.048  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   2.970  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.742586 * X  +   0.669720 * Y  +   0.006378 * Z  +  -4.860090
  Y_new =   0.391832 * X  +   0.426701 * Y  +   0.815103 * Z  + -41.490406
  Z_new =   0.543170 * X  +   0.607783 * Y  +  -0.579280 * Z  +  -3.760429 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.656063 -0.574208  2.332188   [DEG:  152.1812  -32.8997  133.6245 ]
ZXZ:  3.133768  2.188642  0.729318   [DEG:  179.5517  125.3999   41.7868 ]
 
# END of job
