
#######################################################
#                                                     #
#                        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  112 (  821),  selected  112 , name one
# Molecule2: number of CA atoms  113 (  828),  selected  112 , 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:    62      57_A - 118_A       4.99    36.03
  LCS_AVERAGE:     49.93

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    41       7_A - 47_A        1.87    38.87
  LCS_AVERAGE:     31.31

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38       7_A - 44_A        0.88    38.51
  LCS_AVERAGE:     26.53

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  112
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     E     7_A     E     7_A     38   41   49     22   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     C     8_A     C     8_A     38   41   49     23   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     A     9_A     A     9_A     38   41   49     23   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     S    10_A     S    10_A     38   41   49     23   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     N    11_A     N    11_A     38   41   49     23   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     P    12_A     P    12_A     38   41   49     23   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     C    13_A     C    13_A     38   41   49     23   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     L    14_A     L    14_A     38   41   49     21   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     N    15_A     N    15_A     38   41   49     23   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     Q    16_A     Q    16_A     38   41   49      4   27   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     G    17_A     G    17_A     38   41   49     23   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     T    18_A     T    18_A     38   41   49     23   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     C    19_A     C    19_A     38   41   49     23   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     I    20_A     I    20_A     38   41   49     23   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     D    21_A     D    21_A     38   41   49     16   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     D    22_A     D    22_A     38   41   49      4   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     V    23_A     V    23_A     38   41   49      3    7   32   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   48   49 
LCS_GDT     A    24_A     A    24_A     38   41   49      3    3    4   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   48   49 
LCS_GDT     G    25_A     G    25_A     38   41   49      3   29   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   48   49 
LCS_GDT     Y    26_A     Y    26_A     38   41   49     23   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     K    27_A     K    27_A     38   41   49     23   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     C    28_A     C    28_A     38   41   49     23   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     N    29_A     N    29_A     38   41   49     23   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     C    30_A     C    30_A     38   41   49     23   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     L    31_A     L    31_A     38   41   49     20   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   48   52 
LCS_GDT     L    32_A     L    32_A     38   41   49      5   30   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   48   49 
LCS_GDT     P    33_A     P    33_A     38   41   49     15   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   48   49 
LCS_GDT     Y    34_A     Y    34_A     38   41   49     23   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   48   51 
LCS_GDT     T    35_A     T    35_A     38   41   49     23   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   48   52 
LCS_GDT     G    36_A     G    36_A     38   41   49     23   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     A    37_A     A    37_A     38   41   49     23   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     T    38_A     T    38_A     38   41   49     23   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     C    39_A     C    39_A     38   41   49     23   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     E    40_A     E    40_A     38   41   49     22   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     V    41_A     V    41_A     38   41   49     23   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   49   52 
LCS_GDT     V    42_A     V    42_A     38   41   49     23   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   48   49 
LCS_GDT     L    43_A     L    43_A     38   41   49      4   31   35   37   38   39   40   40   40   41   41   43   44   45   46   47   48   48   48   49 
LCS_GDT     A    44_A     A    44_A     38   41   49      4   26   35   36   38   39   40   40   40   41   41   41   44   45   46   47   48   48   48   49 
LCS_GDT     P    45_A     P    45_A      4   41   49      3    3    6   11   38   39   40   40   40   41   41   43   44   45   46   47   48   48   48   49 
LCS_GDT     C    46_A     C    46_A      4   41   49      3    3    4   12   23   32   40   40   40   41   41   41   44   45   46   47   48   48   48   49 
LCS_GDT     A    47_A     A    47_A      4   41   49      3    3    4    5    6    7   11   13   40   41   41   43   44   45   46   47   48   48   48   49 
LCS_GDT     P    48_A     P    48_A      4    7   49      3    4    4    6    6    7    9   16   29   34   41   43   44   45   46   47   48   48   48   49 
LCS_GDT     S    49_A     S    49_A      4    7   49      3    4    4    6    6    7    8   16   26   34   41   43   44   45   46   47   48   48   48   49 
LCS_GDT     P    50_A     P    50_A      4    7   49      3    4    4    6    7   10   14   27   33   35   41   43   43   45   46   47   48   48   48   49 
LCS_GDT     C    51_A     C    51_A      4    7   49      3    4    4    6   12   17   24   27   33   37   41   43   44   45   46   47   48   48   48   49 
LCS_GDT     R    52_A     R    52_A      4    7   49      3    4    4    6    7    9   13   17   23   32   37   42   43   45   46   47   48   48   48   49 
LCS_GDT     N    53_A     N    53_A      4    7   49      3    4    4    6    6    9   13   14   18   23   30   33   39   43   46   47   48   48   48   49 
LCS_GDT     G    54_A     G    54_A      4    6   56      4    4    4    5    6    7   13   14   18   26   33   36   43   45   46   47   48   49   56   61 
LCS_GDT     G    55_A     G    55_A      4    6   57      4    4    4    5    6    7   12   17   26   32   36   42   44   47   49   55   59   60   62   62 
LCS_GDT     E    56_A     E    56_A      4   33   59      4    4    4    5    8   16   25   30   35   40   43   45   46   51   56   57   59   61   62   63 
LCS_GDT     C    57_A     C    57_A     27   33   62      4   23   27   30   33   35   38   39   41   43   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     R    58_A     R    58_A     27   33   62      9   23   27   30   33   35   38   39   41   43   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     Q    59_A     Q    59_A     27   33   62     17   23   27   30   33   35   38   39   41   43   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     S    60_A     S    60_A     27   33   62     17   23   27   30   33   35   38   39   41   43   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     E    61_A     E    61_A     27   33   62      3    9   25   29   33   35   38   39   41   42   44   46   49   55   56   58   59   61   62   63 
LCS_GDT     D    62_A     D    62_A     27   33   62      3    6   15   30   33   35   38   39   41   42   44   46   49   55   56   58   59   61   62   63 
LCS_GDT     Y    63_A     Y    63_A     27   33   62      3    9   25   29   33   35   38   39   41   42   44   46   49   55   56   58   59   61   62   63 
LCS_GDT     E    64_A     E    64_A     27   33   62      3    5   24   30   33   35   38   39   41   42   44   50   50   55   56   58   59   61   62   63 
LCS_GDT     S    65_A     S    65_A     27   33   62      6   23   27   30   33   35   38   39   41   43   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     F    66_A     F    66_A     27   33   62     17   23   27   30   33   35   38   39   41   43   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     S    67_A     S    67_A     27   33   62      9   23   27   30   33   35   38   39   41   43   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     C    68_A     C    68_A     27   33   62     17   23   27   30   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     V    69_A     V    69_A     27   33   62     17   23   27   30   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     C    70_A     C    70_A     27   33   62     17   23   27   30   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     P    71_A     P    71_A     27   33   62     17   23   27   30   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     T    72_A     T    72_A     27   33   62     17   23   27   30   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     G    73_A     G    73_A     27   33   62     17   23   27   30   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     W    74_A     W    74_A     27   33   62     17   23   27   30   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     Q    75_A     Q    75_A     27   33   62     17   23   27   30   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     G    76_A     G    76_A     27   33   62     14   23   27   30   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     Q    77_A     Q    77_A     27   33   62     17   23   27   30   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     T    78_A     T    78_A     27   33   62     17   23   27   30   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     C    79_A     C    79_A     27   33   62     17   23   27   30   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     E    80_A     E    80_A     27   33   62     17   23   27   30   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     V    81_A     V    81_A     27   33   62     17   23   27   30   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     D    82_A     D    82_A     27   37   62     10   23   27   30   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     I    83_A     I    83_A     27   37   62     17   23   27   30   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     N    84_A     N    84_A     24   37   62      4   22   27   30   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     E    85_A     E    85_A     24   37   62      6   17   27   30   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     C    86_A     C    86_A     33   37   62      6   26   29   31   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     V    87_A     V    87_A     33   37   62     15   26   29   31   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     L    88_A     L    88_A     33   37   62      4    8   29   31   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     S    89_A     S    89_A     33   37   62      4    8   29   31   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     P    90_A     P    90_A     33   37   62      9   26   29   31   33   35   35   37   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     C    91_A     C    91_A     33   37   62     12   26   29   31   33   35   35   37   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     R    92_A     R    92_A     33   37   62     10   26   29   31   33   35   35   37   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     H    93_A     H    93_A     33   37   62     10   26   29   31   33   35   35   37   41   44   46   50   51   54   56   58   59   61   62   63 
LCS_GDT     G    94_A     G    94_A     33   37   62     15   26   29   31   33   35   35   37   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     A    95_A     A    95_A     33   37   62     15   26   29   31   33   35   35   37   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     S    96_A     S    96_A     33   37   62     15   26   29   31   33   35   35   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     C    97_A     C    97_A     33   37   62     15   26   29   31   33   35   37   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     Q    98_A     Q    98_A     33   37   62      6   26   29   31   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     N    99_A     N    99_A     33   37   62      8   23   29   31   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     T   100_A     T   100_A     33   37   62     13   26   29   31   33   35   38   39   39   41   44   47   49   52   56   58   59   61   62   63 
LCS_GDT     H   101_A     H   101_A     33   37   62     15   26   29   31   33   35   35   37   37   40   41   45   49   50   53   55   58   61   62   63 
LCS_GDT     G   102_A     G   102_A     33   37   62      8   17   29   31   33   35   35   37   37   40   41   45   49   50   53   55   58   61   62   63 
LCS_GDT     G   103_A     G   103_A     33   37   62      8   23   29   31   33   35   35   37   39   41   44   47   49   52   56   58   59   61   62   63 
LCS_GDT     Y   104_A     Y   104_A     33   37   62     10   26   29   31   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     R   105_A     R   105_A     33   37   62     10   26   29   31   33   35   38   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     C   106_A     C   106_A     33   37   62     15   26   29   31   33   35   35   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     H   107_A     H   107_A     33   37   62     15   26   29   31   33   35   35   39   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     C   108_A     C   108_A     33   37   62     15   26   29   31   33   35   35   37   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     Q   109_A     Q   109_A     33   37   62      6   26   29   31   33   35   35   37   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     A   110_A     A   110_A     33   37   62      4    4   26   31   33   35   35   37   38   43   46   49   51   55   56   58   59   61   62   63 
LCS_GDT     G   111_A     G   111_A     33   37   62     15   26   29   31   33   35   35   37   38   42   46   47   50   53   56   56   59   61   62   63 
LCS_GDT     Y   112_A     Y   112_A     33   37   62     15   26   29   31   33   35   35   37   41   44   46   49   51   55   56   58   59   61   62   63 
LCS_GDT     S   113_A     S   113_A     33   37   62     15   26   29   31   33   35   35   37   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     G   114_A     G   114_A     33   37   62     15   26   29   31   33   35   35   37   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     R   115_A     R   115_A     33   37   62     15   26   29   31   33   35   35   37   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     N   116_A     N   116_A     33   37   62     15   26   29   31   33   35   35   37   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     C   117_A     C   117_A     33   37   62     10   26   29   31   33   35   35   37   41   44   48   50   51   55   56   58   59   61   62   63 
LCS_GDT     E   118_A     E   118_A     33   37   62      4   22   29   31   33   35   35   37   38   41   44   47   49   52   56   56   59   61   62   63 
LCS_AVERAGE  LCS_A:  35.92  (  26.53   31.31   49.93 )

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     23     31     35     37     38     39     40     40     41     44     48     50     51     55     56     58     59     61     62     63 
GDT PERCENT_AT  20.35  27.43  30.97  32.74  33.63  34.51  35.40  35.40  36.28  38.94  42.48  44.25  45.13  48.67  49.56  51.33  52.21  53.98  54.87  55.75
GDT RMS_LOCAL    0.32   0.46   0.65   0.83   0.88   1.09   1.43   1.43   2.49   3.37   3.62   3.78   3.85   4.26   4.33   4.51   4.61   4.82   4.96   5.10
GDT RMS_ALL_AT  38.71  38.38  38.76  38.17  38.51  38.20  38.70  38.70  32.65  40.02  35.89  36.49  36.60  34.73  34.97  35.26  35.40  35.24  35.04  35.70

# Checking swapping
#   possible swapping detected:  D    22_A      D    22_A
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  E    56_A      E    56_A
#   possible swapping detected:  D    62_A      D    62_A
#   possible swapping detected:  Y    63_A      Y    63_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    80_A      E    80_A
#   possible swapping detected:  E    85_A      E    85_A
#   possible swapping detected:  Y   104_A      Y   104_A
#   possible swapping detected:  Y   112_A      Y   112_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_A      E     7_A     0.943     0    0.038   0.995     4.122   88.214   74.868
LGA    C     8_A      C     8_A     0.372     0    0.056   0.073     0.562   97.619   98.413
LGA    A     9_A      A     9_A     0.405     0    0.075   0.078     0.484  100.000  100.000
LGA    S    10_A      S    10_A     0.685     0    0.080   0.229     1.085   88.214   88.968
LGA    N    11_A      N    11_A     0.528     0    0.035   1.106     3.983   95.238   80.595
LGA    P    12_A      P    12_A     0.478     0    0.046   0.274     0.938   95.238   95.918
LGA    C    13_A      C    13_A     0.626     0    0.099   0.144     1.137   90.595   92.143
LGA    L    14_A      L    14_A     0.711     0    0.029   0.062     2.294   92.857   82.917
LGA    N    15_A      N    15_A     0.533     0    0.046   0.223     1.399   90.595   88.274
LGA    Q    16_A      Q    16_A     1.367     0    0.146   1.177     3.431   88.214   71.905
LGA    G    17_A      G    17_A     0.820     0    0.109   0.109     0.820   90.476   90.476
LGA    T    18_A      T    18_A     0.551     0    0.083   1.163     2.204   95.238   85.850
LGA    C    19_A      C    19_A     0.322     0    0.040   0.059     0.553   97.619   98.413
LGA    I    20_A      I    20_A     0.597     0    0.080   0.501     1.574   92.857   88.333
LGA    D    21_A      D    21_A     1.195     0    0.041   0.242     2.061   81.548   77.262
LGA    D    22_A      D    22_A     1.632     0    0.093   1.081     3.904   75.000   68.214
LGA    V    23_A      V    23_A     2.699     0    0.022   0.102     4.278   62.857   53.605
LGA    A    24_A      A    24_A     2.271     0    0.371   0.379     2.918   66.786   64.857
LGA    G    25_A      G    25_A     1.727     0    0.443   0.443     3.252   69.286   69.286
LGA    Y    26_A      Y    26_A     0.252     0    0.034   0.102     1.084  100.000   96.071
LGA    K    27_A      K    27_A     0.184     0    0.019   0.830     5.018  100.000   75.503
LGA    C    28_A      C    28_A     0.439     0    0.062   0.081     0.945   95.238   93.651
LGA    N    29_A      N    29_A     0.562     0    0.038   1.206     4.439   92.857   77.619
LGA    C    30_A      C    30_A     0.573     0    0.046   0.075     0.762   90.476   90.476
LGA    L    31_A      L    31_A     0.758     0    0.128   1.175     3.650   86.190   76.905
LGA    L    32_A      L    32_A     0.984     0    0.646   0.551     4.448   70.714   71.012
LGA    P    33_A      P    33_A     1.075     0    0.119   0.391     2.352   79.524   74.354
LGA    Y    34_A      Y    34_A     0.851     0    0.036   0.118     1.035   88.214   88.968
LGA    T    35_A      T    35_A     1.000     0    0.041   0.089     1.001   88.214   89.184
LGA    G    36_A      G    36_A     0.939     0    0.044   0.044     1.011   90.595   90.595
LGA    A    37_A      A    37_A     0.521     0    0.063   0.064     0.683   95.238   94.286
LGA    T    38_A      T    38_A     0.413     0    0.078   0.094     0.625   97.619   95.918
LGA    C    39_A      C    39_A     0.405     0    0.025   0.044     0.497  100.000  100.000
LGA    E    40_A      E    40_A     0.844     0    0.028   1.006     5.513   88.214   61.852
LGA    V    41_A      V    41_A     1.282     0    0.030   0.039     1.771   81.429   77.755
LGA    V    42_A      V    42_A     1.222     0    0.056   0.105     1.478   81.429   81.429
LGA    L    43_A      L    43_A     1.107     0    0.064   1.394     2.637   81.429   75.357
LGA    A    44_A      A    44_A     1.457     0    0.173   0.174     3.491   71.429   67.143
LGA    P    45_A      P    45_A     3.377     0    0.688   0.675     4.340   55.714   52.585
LGA    C    46_A      C    46_A     5.457     0    0.677   0.947     7.101   22.619   20.159
LGA    A    47_A      A    47_A     8.435     0    0.643   0.611    12.277    4.524    3.714
LGA    P    48_A      P    48_A    13.189     0    0.686   0.754    14.022    0.000    0.068
LGA    S    49_A      S    49_A    13.075     0    0.255   0.607    15.653    0.000    0.000
LGA    P    50_A      P    50_A    15.073     0    0.552   0.567    16.052    0.000    0.000
LGA    C    51_A      C    51_A    15.554     0    0.062   0.782    17.984    0.000    0.000
LGA    R    52_A      R    52_A    18.754     0    0.122   1.381    20.337    0.000    0.000
LGA    N    53_A      N    53_A    21.397     0    0.517   0.519    25.278    0.000    0.000
LGA    G    54_A      G    54_A    19.615     0    0.701   0.701    20.554    0.000    0.000
LGA    G    55_A      G    55_A    22.802     0    0.072   0.072    22.802    0.000    0.000
LGA    E    56_A      E    56_A    22.802     0    0.016   1.235    26.153    0.000    0.000
LGA    C    57_A      C    57_A    28.944     0    0.429   0.848    31.477    0.000    0.000
LGA    R    58_A      R    58_A    30.243     0    0.045   0.722    33.062    0.000    0.000
LGA    Q    59_A      Q    59_A    31.213     0    0.018   1.273    32.736    0.000    0.000
LGA    S    60_A      S    60_A    34.417     0    0.674   0.851    36.867    0.000    0.000
LGA    E    61_A      E    61_A    35.158     0    0.110   1.140    41.154    0.000    0.000
LGA    D    62_A      D    62_A    36.553     0    0.076   0.945    40.203    0.000    0.000
LGA    Y    63_A      Y    63_A    31.872     0    0.269   1.373    34.633    0.000    0.000
LGA    E    64_A      E    64_A    32.165     0    0.014   0.775    32.659    0.000    0.000
LGA    S    65_A      S    65_A    32.644     0    0.132   0.598    34.847    0.000    0.000
LGA    F    66_A      F    66_A    31.207     0    0.015   0.084    32.811    0.000    0.000
LGA    S    67_A      S    67_A    32.196     0    0.103   0.118    32.917    0.000    0.000
LGA    C    68_A      C    68_A    31.359     0    0.033   0.051    32.807    0.000    0.000
LGA    V    69_A      V    69_A    31.660     0    0.021   0.033    31.848    0.000    0.000
LGA    C    70_A      C    70_A    33.302     0    0.026   0.073    34.719    0.000    0.000
LGA    P    71_A      P    71_A    33.760     0    0.038   0.198    35.975    0.000    0.000
LGA    T    72_A      T    72_A    36.814     0    0.093   0.129    38.928    0.000    0.000
LGA    G    73_A      G    73_A    40.722     0    0.129   0.129    41.814    0.000    0.000
LGA    W    74_A      W    74_A    39.023     0    0.032   0.920    41.199    0.000    0.000
LGA    Q    75_A      Q    75_A    39.126     0    0.030   0.308    45.299    0.000    0.000
LGA    G    76_A      G    76_A    38.652     0    0.089   0.089    38.984    0.000    0.000
LGA    Q    77_A      Q    77_A    35.468     0    0.037   0.152    36.820    0.000    0.000
LGA    T    78_A      T    78_A    33.494     0    0.019   0.038    34.526    0.000    0.000
LGA    C    79_A      C    79_A    35.417     0    0.000   0.022    36.681    0.000    0.000
LGA    E    80_A      E    80_A    38.074     0    0.053   1.229    41.120    0.000    0.000
LGA    V    81_A      V    81_A    42.082     0    0.034   0.059    44.874    0.000    0.000
LGA    D    82_A      D    82_A    44.580     0    0.045   1.078    47.490    0.000    0.000
LGA    I    83_A      I    83_A    45.855     0    0.059   0.090    47.476    0.000    0.000
LGA    N    84_A      N    84_A    50.598     0    0.052   0.223    55.425    0.000    0.000
LGA    E    85_A      E    85_A    51.174     0    0.105   1.158    54.255    0.000    0.000
LGA    C    86_A      C    86_A    56.683     0    0.011   0.115    60.211    0.000    0.000
LGA    V    87_A      V    87_A    59.242     0    0.027   0.080    62.301    0.000    0.000
LGA    L    88_A      L    88_A    60.183     0    0.250   0.219    61.904    0.000    0.000
LGA    S    89_A      S    89_A    60.079     0    0.081   0.522    61.384    0.000    0.000
LGA    P    90_A      P    90_A    60.197     0    0.188   0.349    60.695    0.000    0.000
LGA    C    91_A      C    91_A    61.643     0    0.029   0.040    64.404    0.000    0.000
LGA    R    92_A      R    92_A    65.253     0    0.012   1.398    66.673    0.000    0.000
LGA    H    93_A      H    93_A    69.814     0    0.048   1.156    70.808    0.000    0.000
LGA    G    94_A      G    94_A    70.947     0    0.095   0.095    70.947    0.000    0.000
LGA    A    95_A      A    95_A    66.626     0    0.090   0.115    67.933    0.000    0.000
LGA    S    96_A      S    96_A    64.988     0    0.108   0.562    65.806    0.000    0.000
LGA    C    97_A      C    97_A    60.336     0    0.061   0.075    62.239    0.000    0.000
LGA    Q    98_A      Q    98_A    58.559     0    0.003   0.977    59.289    0.000    0.000
LGA    N    99_A      N    99_A    54.585     0    0.094   0.235    56.216    0.000    0.000
LGA    T   100_A      T   100_A    52.426     0    0.096   0.183    54.253    0.000    0.000
LGA    H   101_A      H   101_A    49.779     0    0.017   1.032    51.512    0.000    0.000
LGA    G   102_A      G   102_A    47.463     0    0.074   0.074    48.156    0.000    0.000
LGA    G   103_A      G   103_A    49.485     0    0.029   0.029    51.033    0.000    0.000
LGA    Y   104_A      Y   104_A    52.885     0    0.049   1.393    53.718    0.000    0.000
LGA    R   105_A      R   105_A    56.333     0    0.079   1.521    59.227    0.000    0.000
LGA    C   106_A      C   106_A    59.558     0    0.012   0.063    60.660    0.000    0.000
LGA    H   107_A      H   107_A    63.194     0    0.047   1.021    65.620    0.000    0.000
LGA    C   108_A      C   108_A    66.053     0    0.026   0.050    68.557    0.000    0.000
LGA    Q   109_A      Q   109_A    71.762     0    0.062   0.686    75.703    0.000    0.000
LGA    A   110_A      A   110_A    74.315     0    0.634   0.599    76.564    0.000    0.000
LGA    G   111_A      G   111_A    73.177     0    0.094   0.094    73.353    0.000    0.000
LGA    Y   112_A      Y   112_A    68.313     0    0.007   1.211    73.877    0.000    0.000
LGA    S   113_A      S   113_A    63.934     0    0.019   0.105    65.407    0.000    0.000
LGA    G   114_A      G   114_A    59.174     0    0.026   0.026    60.714    0.000    0.000
LGA    R   115_A      R   115_A    56.361     0    0.021   1.325    57.205    0.000    0.000
LGA    N   116_A      N   116_A    59.018     0    0.061   1.185    61.652    0.000    0.000
LGA    C   117_A      C   117_A    62.717     0    0.046   0.076    65.036    0.000    0.000
LGA    E   118_A      E   118_A    63.558     0    0.668   0.978    63.839    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      112     448    448  100.00     821    821  100.00               113
SUMMARY(RMSD_GDC):    15.192         15.174                 15.808           30.267   28.539

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  112  113    4.0     40    1.43    36.726    35.555     2.621

LGA_LOCAL      RMSD:   1.426  Number of atoms:   40  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  38.695  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:  15.192  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.767713 * X  +   0.583173 * Y  +   0.265567 * Z  + -82.173218
  Y_new =   0.283129 * X  +   0.063081 * Y  +  -0.957005 * Z  +  86.408997
  Z_new =  -0.574852 * X  +   0.809895 * Y  +  -0.116685 * Z  +  25.412508 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.353319  0.612423  1.713886   [DEG:   20.2437   35.0893   98.1984 ]
ZXZ:  0.270687  1.687748 -0.617263   [DEG:   15.5092   96.7008  -35.3666 ]
 
# END of job
