
#######################################################
#                                                     #
#                        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  115 (  972),  selected  108 , name one
# Molecule2: number of CA atoms  108 (  908),  selected  108 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   108       2_C - 109_C       3.01     3.01
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    50       3_C - 52_C        1.98     4.27
  LONGEST_CONTINUOUS_SEGMENT:    50       4_C - 53_C        1.98     4.19
  LONGEST_CONTINUOUS_SEGMENT:    50       5_C - 54_C        1.98     4.18
  LCS_AVERAGE:     44.80

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    32      77_C - 108_C       0.95     3.51
  LONGEST_CONTINUOUS_SEGMENT:    32      78_C - 109_C       0.94     3.77
  LCS_AVERAGE:     21.83

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  108
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     L     2_C     L     2_C      3   46  108      0    0    3    3    3    7   22   25   40   62   96  106  108  108  108  108  108  108  108  108 
LCS_GDT     P     3_C     P     3_C     23   50  108      4   17   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     D     4_C     D     4_C     23   50  108      3    8   19   39   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E     5_C     E     5_C     28   50  108      4   21   29   42   58   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E     6_C     E     6_C     28   50  108      4   23   29   42   57   70   84   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     K     7_C     K     7_C     28   50  108      6   19   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     L     8_C     L     8_C     28   50  108      8   23   32   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     K     9_C     K     9_C     28   50  108     10   23   37   49   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     L    10_C     L    10_C     28   50  108     10   23   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     L    11_C     L    11_C     28   50  108     10   23   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     D    12_C     D    12_C     28   50  108     11   23   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     T    13_C     T    13_C     28   50  108     11   23   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     L    14_C     L    14_C     28   50  108     11   23   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     L    15_C     L    15_C     28   50  108     11   23   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     T    16_C     T    16_C     28   50  108     11   23   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     M    17_C     M    17_C     28   50  108      9   23   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     V    18_C     V    18_C     28   50  108      9   23   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E    19_C     E    19_C     28   50  108     11   23   30   43   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     W    20_C     W    20_C     28   50  108     11   23   30   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     V    21_C     V    21_C     28   50  108     11   23   30   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     K    22_C     K    22_C     28   50  108     11   23   30   41   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E    23_C     E    23_C     28   50  108     11   23   29   40   61   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     L    24_C     L    24_C     28   50  108     10   23   29   41   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     L    25_C     L    25_C     28   50  108     10   23   29   40   58   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E    26_C     E    26_C     28   50  108     10   23   29   38   51   67   84   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E    27_C     E    27_C     28   50  108      8   23   29   38   51   67   81   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     S    28_C     S    28_C     28   50  108      8   21   29   38   51   67   82   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     V    29_C     V    29_C     28   50  108      7   23   29   38   51   63   82   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E    30_C     E    30_C     28   50  108     10   23   29   38   51   67   81   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     K    31_C     K    31_C     28   50  108     10   23   29   40   52   67   84   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     N    32_C     N    32_C     28   50  108      3    5   11   34   41   67   79   93  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     S    33_C     S    33_C     18   50  108      7   16   30   40   52   62   80   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     R    34_C     R    34_C     18   50  108      4   13   30   40   52   67   87   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     M    35_C     M    35_C     21   50  108      7   17   30   40   54   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     R    36_C     R    36_C     21   50  108      7   17   30   40   54   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     H    37_C     H    37_C     21   50  108      7   17   30   40   54   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     I    38_C     I    38_C     21   50  108      7   19   30   40   54   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     R    39_C     R    39_C     21   50  108      7   17   30   40   57   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     A    40_C     A    40_C     21   50  108      7   17   26   40   57   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     V    41_C     V    41_C     21   50  108      7   17   30   40   57   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     M    42_C     M    42_C     21   50  108      8   21   30   40   57   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     W    43_C     W    43_C     21   50  108      8   16   25   38   54   74   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     A    44_C     A    44_C     21   50  108      8   19   29   41   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E    45_C     E    45_C     21   50  108     11   23   30   45   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     Y    46_C     Y    46_C     21   50  108      8   17   30   42   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     M    47_C     M    47_C     21   50  108      8   21   30   46   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     L    48_C     L    48_C     21   50  108     13   25   33   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E    49_C     E    49_C     21   50  108      8   17   33   45   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     I    50_C     I    50_C     21   50  108      8   17   33   46   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     A    51_C     A    51_C     21   50  108      9   16   30   49   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     R    52_C     R    52_C     21   50  108      3   12   24   37   51   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     S    53_C     S    53_C     21   50  108      8   17   30   42   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     L    54_C     L    54_C     21   50  108      3   16   30   42   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E    55_C     E    55_C     21   49  108     11   24   33   45   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     D    56_C     D    56_C     12   36  108      8   10   11   25   33   55   65   78   89  103  104  106  108  108  108  108  108  108  108  108 
LCS_GDT     E    57_C     E    57_C     12   36  108      8   16   27   40   55   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     K    58_C     K    58_C     12   36  108      8   10   11   20   43   57   78   92   99  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     I    59_C     I    59_C     12   36  108      8   10   18   30   51   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     L    60_C     L    60_C     12   36  108      8   17   25   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E    61_C     E    61_C     12   48  108      8   15   30   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     I    62_C     I    62_C     12   48  108      9   16   30   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     A    63_C     A    63_C     12   48  108      8   17   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E    64_C     E    64_C     12   48  108      5   16   35   49   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     K    65_C     K    65_C     12   48  108      7   16   35   49   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     L    66_C     L    66_C     12   48  108      5   17   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E    67_C     E    67_C     12   48  108      4    8   11   42   51   66   75   86  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     K    68_C     K    68_C      4   48  108      3    4   19   38   61   75   88   93  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     A    69_C     A    69_C      4   48  108      3    3    4    7   13   21   40   55   84   94  100  106  108  108  108  108  108  108  108  108 
LCS_GDT     L    70_C     L    70_C      4   48  108      3   16   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     P    71_C     P    71_C      4   48  108      3    5   19   29   42   66   75   87   93   99  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E    72_C     E    72_C      4   48  108      3   16   37   51   63   73   87   93  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     K    73_C     K    73_C      4   48  108      3    3    4   20   30   54   67   83   96  101  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     S    74_C     S    74_C      3   48  108      3    3    4    4    7   12   64   87   99  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     K    75_C     K    75_C      3   48  108     12   23   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     M    76_C     M    76_C      6   48  108      3    7   17   35   58   69   78   87   93   99  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     F    77_C     F    77_C     32   48  108      5   23   37   51   63   75   88   93  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     T    78_C     T    78_C     32   48  108     12   25   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     K    79_C     K    79_C     32   48  108     14   25   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E    80_C     E    80_C     32   48  108     15   25   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E    81_C     E    81_C     32   48  108     15   25   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     Y    82_C     Y    82_C     32   48  108     15   25   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E    83_C     E    83_C     32   48  108     15   25   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     K    84_C     K    84_C     32   48  108     15   25   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     L    85_C     L    85_C     32   48  108     15   25   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     M    86_C     M    86_C     32   48  108     15   25   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E    87_C     E    87_C     32   48  108     14   25   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     V    88_C     V    88_C     32   48  108     15   25   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     L    89_C     L    89_C     32   48  108     15   25   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E    90_C     E    90_C     32   48  108     15   25   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E    91_C     E    91_C     32   48  108     11   25   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     L    92_C     L    92_C     32   48  108     15   25   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E    93_C     E    93_C     32   48  108     15   25   35   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E    94_C     E    94_C     32   48  108     11   25   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     V    95_C     V    95_C     32   48  108     11   25   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     L    96_C     L    96_C     32   48  108     15   25   35   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E    97_C     E    97_C     32   48  108     11   25   33   47   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E    98_C     E    98_C     32   48  108     15   25   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     K    99_C     K    99_C     32   48  108      9   25   35   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     K   100_C     K   100_C     32   48  108     11   25   33   46   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E   101_C     E   101_C     32   48  108     15   25   35   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E   102_C     E   102_C     32   48  108      9   25   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     V   103_C     V   103_C     32   48  108      9   22   33   48   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E   104_C     E   104_C     32   48  108     14   25   35   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E   105_C     E   105_C     32   48  108     11   24   37   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     R   106_C     R   106_C     32   48  108      9   17   33   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     I   107_C     I   107_C     32   48  108      4   14   33   49   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     E   108_C     E   108_C     32   48  108      3   14   35   51   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_GDT     G   109_C     G   109_C     32   47  108      3    8   24   44   63   75   88   95  100  103  105  106  108  108  108  108  108  108  108  108 
LCS_AVERAGE  LCS_A:  55.54  (  21.83   44.80  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     15     25     37     51     63     75     88     95    100    103    105    106    108    108    108    108    108    108    108    108 
GDT PERCENT_AT  13.89  23.15  34.26  47.22  58.33  69.44  81.48  87.96  92.59  95.37  97.22  98.15 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.36   0.54   1.08   1.39   1.62   1.99   2.32   2.54   2.66   2.77   2.85   2.90   3.01   3.01   3.01   3.01   3.01   3.01   3.01   3.01
GDT RMS_ALL_AT   4.00   4.01   3.67   3.48   3.47   3.10   3.04   3.06   3.03   3.03   3.01   3.01   3.01   3.01   3.01   3.01   3.01   3.01   3.01   3.01

# Checking swapping
#   possible swapping detected:  D     4_C      D     4_C
#   possible swapping detected:  E     5_C      E     5_C
#   possible swapping detected:  E     6_C      E     6_C
#   possible swapping detected:  E    19_C      E    19_C
#   possible swapping detected:  E    23_C      E    23_C
#   possible swapping detected:  E    27_C      E    27_C
#   possible swapping detected:  E    30_C      E    30_C
#   possible swapping detected:  E    45_C      E    45_C
#   possible swapping detected:  Y    46_C      Y    46_C
#   possible swapping detected:  E    49_C      E    49_C
#   possible swapping detected:  E    55_C      E    55_C
#   possible swapping detected:  E    57_C      E    57_C
#   possible swapping detected:  E    67_C      E    67_C
#   possible swapping detected:  E    81_C      E    81_C
#   possible swapping detected:  E    83_C      E    83_C
#   possible swapping detected:  E    90_C      E    90_C
#   possible swapping detected:  E    93_C      E    93_C
#   possible swapping detected:  E    98_C      E    98_C
#   possible swapping detected:  E   101_C      E   101_C
#   possible swapping detected:  E   105_C      E   105_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     2_C      L     2_C     6.628     0    0.182   0.797     8.289   13.214   12.262
LGA    P     3_C      P     3_C     2.395     0    0.354   0.337     6.268   49.167   38.912
LGA    D     4_C      D     4_C     2.485     0    0.242   0.912     6.817   70.833   48.274
LGA    E     5_C      E     5_C     2.654     0    0.058   1.172     6.316   59.286   43.915
LGA    E     6_C      E     6_C     3.708     0    0.165   0.965    10.017   50.119   28.995
LGA    K     7_C      K     7_C     2.023     0    0.063   0.926     4.515   68.810   59.630
LGA    L     8_C      L     8_C     1.658     0    0.058   0.864     4.861   72.857   60.238
LGA    K     9_C      K     9_C     2.447     0    0.021   0.664     3.765   64.762   56.667
LGA    L    10_C      L    10_C     2.219     0    0.032   1.253     4.834   64.762   60.655
LGA    L    11_C      L    11_C     1.738     0    0.055   0.650     2.591   72.857   74.167
LGA    D    12_C      D    12_C     2.161     0    0.069   0.979     3.317   66.786   62.976
LGA    T    13_C      T    13_C     2.461     0    0.011   1.042     4.296   64.762   56.667
LGA    L    14_C      L    14_C     1.392     0    0.048   0.797     2.497   79.286   77.202
LGA    L    15_C      L    15_C     1.709     0    0.023   0.248     3.047   72.857   67.024
LGA    T    16_C      T    16_C     2.401     0    0.041   0.118     3.134   64.762   60.476
LGA    M    17_C      M    17_C     1.791     0    0.042   1.403     4.227   72.857   67.381
LGA    V    18_C      V    18_C     1.444     0    0.068   0.930     3.331   77.143   74.558
LGA    E    19_C      E    19_C     1.986     0    0.062   0.551     4.325   70.833   55.873
LGA    W    20_C      W    20_C     1.708     0    0.010   0.468     4.571   75.000   59.830
LGA    V    21_C      V    21_C     1.087     0    0.053   1.318     3.229   81.429   74.762
LGA    K    22_C      K    22_C     1.770     0    0.024   1.061     3.011   70.952   65.026
LGA    E    23_C      E    23_C     2.408     0    0.046   0.512     4.250   62.857   51.481
LGA    L    24_C      L    24_C     2.178     0    0.053   0.394     2.570   62.857   64.881
LGA    L    25_C      L    25_C     2.494     0    0.085   0.741     5.432   59.167   51.667
LGA    E    26_C      E    26_C     3.545     0    0.049   0.667     4.392   43.452   42.698
LGA    E    27_C      E    27_C     3.976     0    0.012   0.725     4.602   40.238   41.376
LGA    S    28_C      S    28_C     3.794     0    0.046   0.718     5.734   43.333   39.683
LGA    V    29_C      V    29_C     4.039     0    0.039   0.076     4.746   41.786   37.347
LGA    E    30_C      E    30_C     4.153     0    0.026   0.571     5.432   40.238   35.397
LGA    K    31_C      K    31_C     3.436     0    0.283   0.659     4.296   50.119   48.624
LGA    N    32_C      N    32_C     4.402     0    0.166   0.962    10.502   45.357   25.060
LGA    S    33_C      S    33_C     4.199     0    0.715   0.864     7.142   44.048   34.603
LGA    R    34_C      R    34_C     3.701     0    0.114   1.181     8.909   41.786   26.580
LGA    M    35_C      M    35_C     3.679     0    0.103   1.070     3.679   43.333   45.833
LGA    R    36_C      R    36_C     3.679     0    0.065   1.269    12.864   46.667   22.944
LGA    H    37_C      H    37_C     3.486     0    0.087   0.835     5.614   50.000   39.667
LGA    I    38_C      I    38_C     3.415     0    0.023   0.086     4.339   50.000   45.893
LGA    R    39_C      R    39_C     3.044     0    0.069   0.973     5.584   51.786   43.550
LGA    A    40_C      A    40_C     3.109     0    0.045   0.046     3.251   50.000   50.000
LGA    V    41_C      V    41_C     2.780     0    0.082   0.128     2.983   57.143   61.565
LGA    M    42_C      M    42_C     2.820     0    0.090   1.307     5.135   57.143   53.274
LGA    W    43_C      W    43_C     3.469     0    0.052   1.193    13.720   55.476   19.626
LGA    A    44_C      A    44_C     2.403     0    0.028   0.059     2.688   64.881   64.857
LGA    E    45_C      E    45_C     1.555     0    0.050   0.574     2.033   77.143   73.862
LGA    Y    46_C      Y    46_C     2.110     0    0.061   0.744     5.700   72.976   49.802
LGA    M    47_C      M    47_C     1.544     0    0.079   0.999     5.708   81.667   66.012
LGA    L    48_C      L    48_C     0.209     0    0.080   0.818     3.627   95.238   81.726
LGA    E    49_C      E    49_C     1.268     0    0.022   0.592     4.666   81.548   60.899
LGA    I    50_C      I    50_C     1.324     0    0.029   1.246     3.725   79.286   67.798
LGA    A    51_C      A    51_C     1.800     0    0.031   0.037     2.823   69.048   69.810
LGA    R    52_C      R    52_C     3.411     0    0.115   1.270    10.571   51.786   27.532
LGA    S    53_C      S    53_C     2.446     0    0.081   0.686     4.376   59.048   55.079
LGA    L    54_C      L    54_C     2.515     0    0.220   1.301     3.329   57.262   63.393
LGA    E    55_C      E    55_C     2.078     0    0.663   1.005     5.407   53.452   48.677
LGA    D    56_C      D    56_C     6.017     0    0.591   0.473    12.228   30.714   15.952
LGA    E    57_C      E    57_C     3.704     0    0.063   0.993     5.823   43.810   35.397
LGA    K    58_C      K    58_C     4.901     0    0.014   0.875     8.877   35.833   20.053
LGA    I    59_C      I    59_C     3.943     0    0.074   1.646     9.700   48.690   35.000
LGA    L    60_C      L    60_C     1.899     0    0.038   0.754     5.624   72.976   60.833
LGA    E    61_C      E    61_C     2.158     0    0.051   0.527     7.778   68.929   42.328
LGA    I    62_C      I    62_C     1.907     0    0.092   1.232     7.290   77.143   54.881
LGA    A    63_C      A    63_C     1.936     0    0.083   0.099     3.025   67.262   66.762
LGA    E    64_C      E    64_C     3.249     0    0.103   0.504     5.302   50.476   40.688
LGA    K    65_C      K    65_C     2.365     0    0.020   0.930     3.039   62.857   61.481
LGA    L    66_C      L    66_C     2.424     0    0.160   1.047     3.748   57.381   56.488
LGA    E    67_C      E    67_C     5.041     0    0.226   0.976     7.385   29.048   19.259
LGA    K    68_C      K    68_C     4.061     0    0.225   1.386     6.922   30.000   34.233
LGA    A    69_C      A    69_C     7.210     0    0.399   0.442     9.262   16.548   13.524
LGA    L    70_C      L    70_C     3.364     0    0.318   0.675     4.251   41.905   57.381
LGA    P    71_C      P    71_C     6.382     0    0.445   0.767     9.965   24.048   15.238
LGA    E    72_C      E    72_C     4.518     0    0.641   0.979     5.456   31.548   30.317
LGA    K    73_C      K    73_C     5.806     0    0.358   0.633    15.401   26.310   12.381
LGA    S    74_C      S    74_C     5.262     0    0.100   0.591     6.042   32.976   29.206
LGA    K    75_C      K    75_C     2.934     0    0.644   0.961     8.928   48.452   31.058
LGA    M    76_C      M    76_C     6.656     0    0.703   0.992    15.745   25.714   13.036
LGA    F    77_C      F    77_C     3.562     0    0.140   0.668     7.215   37.381   28.571
LGA    T    78_C      T    78_C     2.865     0    0.023   0.187     2.865   57.143   57.143
LGA    K    79_C      K    79_C     2.745     0    0.103   0.728     7.523   60.952   42.116
LGA    E    80_C      E    80_C     2.412     0    0.011   0.632     4.338   62.857   60.053
LGA    E    81_C      E    81_C     2.065     0    0.041   0.716     3.329   68.810   64.074
LGA    Y    82_C      Y    82_C     1.552     0    0.034   1.295    11.016   75.000   39.960
LGA    E    83_C      E    83_C     1.787     0    0.012   0.643     4.202   72.857   65.344
LGA    K    84_C      K    84_C     1.517     0    0.020   1.042     6.307   77.143   58.254
LGA    L    85_C      L    85_C     0.923     0    0.052   0.212     1.445   88.214   85.952
LGA    M    86_C      M    86_C     1.102     0    0.022   1.179     6.540   81.429   63.631
LGA    E    87_C      E    87_C     0.959     0    0.119   0.957     3.061   85.952   76.349
LGA    V    88_C      V    88_C     0.929     0    0.025   1.084     3.254   90.476   81.020
LGA    L    89_C      L    89_C     0.712     0    0.073   0.818     3.781   90.476   75.357
LGA    E    90_C      E    90_C     1.298     0    0.030   0.960     6.374   83.690   60.794
LGA    E    91_C      E    91_C     1.378     0    0.030   0.772     4.290   81.429   65.979
LGA    L    92_C      L    92_C     1.310     0    0.061   1.426     4.847   81.429   72.024
LGA    E    93_C      E    93_C     1.730     0    0.015   0.401     4.131   75.000   62.910
LGA    E    94_C      E    94_C     1.518     0    0.052   0.828     4.649   77.143   62.593
LGA    V    95_C      V    95_C     1.147     0    0.021   1.168     3.949   81.429   72.517
LGA    L    96_C      L    96_C     2.156     0    0.026   0.164     3.475   64.881   59.226
LGA    E    97_C      E    97_C     2.623     0    0.035   0.639     4.141   60.952   54.233
LGA    E    98_C      E    98_C     1.847     0    0.052   0.920     3.543   72.857   65.291
LGA    K    99_C      K    99_C     2.554     0    0.026   1.100     6.237   59.048   48.677
LGA    K   100_C      K   100_C     3.321     0    0.031   0.938     4.794   50.000   45.714
LGA    E   101_C      E   101_C     2.622     0    0.030   0.659     2.836   60.952   60.529
LGA    E   102_C      E   102_C     2.239     0    0.021   0.839     4.676   62.857   57.831
LGA    V   103_C      V   103_C     3.383     0    0.013   0.782     5.832   51.786   43.333
LGA    E   104_C      E   104_C     3.036     0    0.037   0.361     4.791   55.476   47.460
LGA    E   105_C      E   105_C     1.718     0    0.034   0.726     2.110   70.833   74.868
LGA    R   106_C      R   106_C     2.316     0    0.074   1.542     8.185   60.952   37.056
LGA    I   107_C      I   107_C     3.002     0    0.093   1.215     4.753   55.357   47.917
LGA    E   108_C      E   108_C     3.053     0    0.316   0.555     3.583   53.571   50.899
LGA    G   109_C      G   109_C     3.423     0    0.571   0.571     3.747   46.667   46.667

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      108     432    432  100.00     908    908  100.00               108
SUMMARY(RMSD_GDC):     3.007          2.929                  4.165           59.640   50.894

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  115  108    4.0     95    2.54    64.583    64.487     3.592

LGA_LOCAL      RMSD:   2.545  Number of atoms:   95  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.061  Number of assigned atoms:  108 
Std_ASGN_ATOMS RMSD:   3.007  Standard rmsd on all 108 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.551232 * X  +  -0.068581 * Y  +   0.831528 * Z  +  13.716395
  Y_new =   0.444634 * X  +   0.819163 * Y  +   0.362316 * Z  +  -1.174539
  Z_new =  -0.706005 * X  +   0.569446 * Y  +  -0.421055 * Z  +  -9.830352 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.462829  0.783841  2.207487   [DEG:  141.1097   44.9108  126.4797 ]
ZXZ:  1.981714  2.005405 -0.892059   [DEG:  113.5438  114.9012  -51.1112 ]
 
# END of job
