
#######################################################
#                                                     #
#                        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  135 ( 1077),  selected  126 , name one
# Molecule2: number of CA atoms  126 ( 1024),  selected  126 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       7_B - 134_B       2.23     2.23
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88       7_B - 94_B        1.99     2.44
  LCS_AVERAGE:     61.70

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    45      28_B - 72_B        0.99     3.05
  LCS_AVERAGE:     26.18

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
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_B     E     7_B     38   88  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E     8_B     E     8_B     38   88  126     32   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A     9_B     A     9_B     38   88  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    10_B     K    10_B     38   88  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    11_B     E    11_B     38   88  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    12_B     A    12_B     38   88  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    13_B     I    13_B     38   88  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    14_B     I    14_B     38   88  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    15_B     A    15_B     38   88  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    16_B     M    16_B     38   88  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    17_B     L    17_B     38   88  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    18_B     K    18_B     38   88  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    19_B     E    19_B     38   88  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W    20_B     W    20_B     38   88  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    21_B     Y    21_B     38   88  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    22_B     D    22_B     38   88  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    23_B     A    23_B     38   88  126     34   63   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    24_B     M    24_B     38   88  126     34   62   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    25_B     N    25_B     38   88  126     34   62   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    26_B     E    26_B     38   88  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    27_B     G    27_B     44   88  126     32   62   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    28_B     D    28_B     45   88  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    29_B     M    29_B     45   88  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    30_B     E    30_B     45   88  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    31_B     K    31_B     45   88  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    32_B     L    32_B     45   88  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    33_B     R    33_B     45   88  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    34_B     S    34_B     45   88  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    35_B     L    35_B     45   88  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    36_B     V    36_B     45   88  126     33   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    37_B     D    37_B     45   88  126     33   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    38_B     P    38_B     45   88  126     32   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    39_B     D    39_B     45   88  126     32   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    40_B     A    40_B     45   88  126     32   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    41_B     S    41_B     45   88  126     28   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    42_B     F    42_B     45   88  126     32   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    43_B     V    43_B     45   88  126     28   61   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    44_B     D    44_B     45   88  126      9   48   75   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    45_B     A    45_B     45   88  126      3    9   11   17   76   97  105  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    46_B     R    46_B     45   88  126      3    9   38   66   86   97  108  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    47_B     T    47_B     45   88  126     11   48   75   87   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    48_B     N    48_B     45   88  126      4   36   61   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    49_B     Q    49_B     45   88  126     28   63   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    50_B     V    50_B     45   88  126     28   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    51_B     Y    51_B     45   88  126     28   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    52_B     D    52_B     45   88  126     32   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    53_B     K    53_B     45   88  126     32   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    54_B     D    54_B     45   88  126     32   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    55_B     Q    55_B     45   88  126     32   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    56_B     F    56_B     45   88  126     32   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    57_B     L    57_B     45   88  126     32   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    58_B     Q    58_B     45   88  126     32   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    59_B     M    59_B     45   88  126     32   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    60_B     I    60_B     45   88  126     28   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    61_B     K    61_B     45   88  126     28   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    62_B     E    62_B     45   88  126     29   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    63_B     A    63_B     45   88  126     28   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    64_B     L    64_B     45   88  126     22   58   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    65_B     E    65_B     45   88  126     16   58   79   89   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    66_B     Q    66_B     45   88  126     15   60   79   89   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    67_B     D    67_B     45   88  126     18   47   77   87   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    68_B     L    68_B     45   88  126     13   47   75   87   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    69_B     K    69_B     45   88  126     19   47   75   87   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    70_B     V    70_B     45   88  126     18   47   75   87   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    71_B     E    71_B     45   88  126     11   35   61   84   95  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    72_B     V    72_B     45   88  126     14   35   59   84   95  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    73_B     K    73_B     33   88  126      5   17   34   63   89   98  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    74_B     S    74_B     33   88  126      5   26   45   66   90   98  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    75_B     I    75_B     33   88  126      6   33   54   79   90  100  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    76_B     D    76_B     33   88  126      5   30   51   78   90   98  110  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    77_B     I    77_B     33   88  126      3   29   51   78   90   98  109  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    78_B     E    78_B     33   88  126     13   35   57   84   95  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    79_B     Q    79_B      5   88  126      3    4    6   19   59   97  110  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    80_B     Q    80_B      5   88  126      3   21   50   74   95  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    81_B     P    81_B      5   88  126      3    5    6   17   49   82  105  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    82_B     D    82_B      4   88  126     13   37   77   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    83_B     G    83_B     15   88  126      5   37   70   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    84_B     D    84_B     15   88  126      5   33   68   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    85_B     V    85_B     15   88  126     13   62   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    86_B     V    86_B     15   88  126     21   60   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    87_B     I    87_B     15   88  126     21   56   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    88_B     V    88_B     15   88  126     21   56   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    89_B     K    89_B     15   88  126     20   56   78   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    90_B     V    90_B     15   88  126     20   49   76   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    91_B     K    91_B     15   88  126     20   44   71   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    92_B     V    92_B     15   88  126     20   37   70   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    93_B     R    93_B     15   88  126     18   36   56   80   97  104  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    94_B     A    94_B     15   88  126      5   18   56   70   92  103  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    95_B     T    95_B     15   54  126      6   36   56   70   92  103  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    96_B     M    96_B     15   54  126      6   36   56   70   92  103  111  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    97_B     V    97_B     15   54  126      6   35   56   66   91  103  111  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    98_B     R    98_B     14   54  126      6   10   18   52   76   96  105  116  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   101_B     Q   101_B     29   54  126      6   10   23   80   97  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   102_B     E   102_B     29   54  126     14   36   62   82   97  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   103_B     H   103_B     29   54  126     20   36   56   78   97  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   104_B     V   104_B     29   54  126     18   36   56   80   97  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   105_B     F   105_B     29   54  126      6   36   56   82   97  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   106_B     E   106_B     29   54  126     18   37   70   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   107_B     V   107_B     29   54  126     20   45   76   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   108_B     V   108_B     29   54  126     20   60   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   109_B     D   109_B     29   54  126     21   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   110_B     T   110_B     29   54  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B     29   54  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_B     E   112_B     29   54  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   113_B     F   113_B     29   54  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     29   54  126     32   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   115_B     R   115_B     29   54  126     30   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   116_B     K   116_B     29   54  126      5   47   77   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   117_B     G   117_B     29   54  126      9   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   118_B     D   118_B     29   54  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   119_B     S   119_B     29   54  126     24   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W   120_B     W   120_B     29   54  126     32   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   121_B     K   121_B     29   54  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   122_B     I   122_B     29   54  126     34   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   123_B     V   123_B     29   54  126     33   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   124_B     K   124_B     29   54  126     32   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   125_B     L   125_B     29   54  126     32   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   126_B     V   126_B     29   54  126     32   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   127_B     S   127_B     29   54  126     27   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   128_B     E   128_B     29   54  126     27   64   79   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   129_B     I   129_B     29   54  126      8   35   65   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   130_B     T   130_B     10   54  126      3    5   22   48   83  102  109  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   131_B     Q   131_B      9   54  126      3    6   12   32   55   77   99  111  119  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_B     L   132_B      4   54  126      3   18   71   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   133_B     G   133_B      4   54  126      6   43   70   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   134_B     S   134_B      3   54  126      3   53   78   90   99  107  112  119  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  62.63  (  26.18   61.70  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     34     64     79     90     99    107    112    119    125    126    126    126    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  26.98  50.79  62.70  71.43  78.57  84.92  88.89  94.44  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.59   0.78   1.05   1.23   1.52   1.73   1.99   2.18   2.23   2.23   2.23   2.23   2.23   2.23   2.23   2.23   2.23   2.23   2.23
GDT RMS_ALL_AT   3.00   2.49   2.52   2.39   2.37   2.29   2.26   2.24   2.23   2.23   2.23   2.23   2.23   2.23   2.23   2.23   2.23   2.23   2.23   2.23

# Checking swapping
#   possible swapping detected:  E    19_B      E    19_B
#   possible swapping detected:  Y    21_B      Y    21_B
#   possible swapping detected:  E    30_B      E    30_B
#   possible swapping detected:  D    44_B      D    44_B
#   possible swapping detected:  Y    51_B      Y    51_B
#   possible swapping detected:  D    76_B      D    76_B
#   possible swapping detected:  E    78_B      E    78_B
#   possible swapping detected:  F   105_B      F   105_B
#   possible swapping detected:  D   118_B      D   118_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     1.197     0    0.245   0.848     3.671   77.143   68.148
LGA    E     8_B      E     8_B     1.545     0    0.047   1.082     4.612   79.286   64.392
LGA    A     9_B      A     9_B     0.917     0    0.041   0.053     1.112   88.214   88.667
LGA    K    10_B      K    10_B     1.049     0    0.056   0.565     1.709   83.690   81.481
LGA    E    11_B      E    11_B     1.476     0    0.036   0.730     4.553   81.429   66.032
LGA    A    12_B      A    12_B     1.108     0    0.023   0.025     1.196   81.429   81.429
LGA    I    13_B      I    13_B     1.083     0    0.016   0.269     1.924   81.429   80.357
LGA    I    14_B      I    14_B     1.131     0    0.032   0.209     1.571   81.429   80.417
LGA    A    15_B      A    15_B     1.255     0    0.034   0.044     1.510   79.286   79.714
LGA    M    16_B      M    16_B     1.312     0    0.013   0.809     4.076   81.429   74.821
LGA    L    17_B      L    17_B     1.341     0    0.020   0.092     1.507   79.286   80.357
LGA    K    18_B      K    18_B     1.582     0    0.043   0.650     4.780   75.000   61.323
LGA    E    19_B      E    19_B     1.294     0    0.023   0.692     2.647   81.429   72.328
LGA    W    20_B      W    20_B     1.352     0    0.021   0.238     1.991   79.286   79.660
LGA    Y    21_B      Y    21_B     1.430     0    0.024   0.157     1.739   77.143   80.000
LGA    D    22_B      D    22_B     1.634     0    0.012   0.036     1.772   72.857   72.857
LGA    A    23_B      A    23_B     1.535     0    0.035   0.046     1.602   72.857   74.571
LGA    M    24_B      M    24_B     1.838     0    0.073   0.956     3.097   70.833   64.048
LGA    N    25_B      N    25_B     1.935     0    0.056   0.820     3.032   70.833   68.988
LGA    E    26_B      E    26_B     1.530     0    0.055   0.115     1.656   75.000   79.577
LGA    G    27_B      G    27_B     1.530     0    0.059   0.059     1.600   77.143   77.143
LGA    D    28_B      D    28_B     0.955     0    0.024   0.076     1.048   90.476   89.345
LGA    M    29_B      M    29_B     0.981     0    0.040   0.187     1.303   90.476   87.083
LGA    E    30_B      E    30_B     0.701     0    0.033   1.025     3.870   90.476   75.079
LGA    K    31_B      K    31_B     0.684     0    0.036   1.125     4.050   90.476   82.593
LGA    L    32_B      L    32_B     0.691     0    0.027   0.079     1.104   90.476   89.345
LGA    R    33_B      R    33_B     0.754     0    0.025   1.220     4.998   90.476   78.918
LGA    S    34_B      S    34_B     0.653     0    0.133   0.738     1.701   90.476   87.540
LGA    L    35_B      L    35_B     0.501     0    0.021   0.101     1.239   95.238   92.917
LGA    V    36_B      V    36_B     0.426     0    0.049   0.067     0.570  100.000   98.639
LGA    D    37_B      D    37_B     0.364     0    0.034   0.112     0.504  100.000   98.810
LGA    P    38_B      P    38_B     0.751     0    0.015   0.075     0.944   90.476   90.476
LGA    D    39_B      D    39_B     0.693     0    0.047   0.707     1.850   90.476   87.143
LGA    A    40_B      A    40_B     0.530     0    0.028   0.058     0.818   90.476   92.381
LGA    S    41_B      S    41_B     0.781     0    0.098   0.094     0.910   90.476   90.476
LGA    F    42_B      F    42_B     0.394     0    0.098   0.104     0.609   95.238   98.268
LGA    V    43_B      V    43_B     0.968     0    0.049   0.072     1.424   85.952   84.014
LGA    D    44_B      D    44_B     1.951     0    0.107   0.614     3.146   70.833   66.964
LGA    A    45_B      A    45_B     4.426     0    0.132   0.143     5.761   38.929   35.429
LGA    R    46_B      R    46_B     4.315     0    0.051   0.833     8.093   40.238   27.446
LGA    T    47_B      T    47_B     2.300     0    0.040   0.051     3.026   69.048   65.102
LGA    N    48_B      N    48_B     1.932     0    0.020   1.070     4.110   75.119   63.690
LGA    Q    49_B      Q    49_B     1.036     0    0.075   1.157     5.914   79.286   58.095
LGA    V    50_B      V    50_B     0.585     0    0.010   0.056     0.837   90.476   90.476
LGA    Y    51_B      Y    51_B     0.580     0    0.000   0.157     1.134   90.476   88.968
LGA    D    52_B      D    52_B     0.352     0    0.019   0.080     0.913  100.000   96.429
LGA    K    53_B      K    53_B     0.215     0    0.015   0.060     0.415  100.000  100.000
LGA    D    54_B      D    54_B     0.551     0    0.040   0.091     0.629   92.857   91.667
LGA    Q    55_B      Q    55_B     0.588     0    0.030   0.216     0.787   90.476   90.476
LGA    F    56_B      F    56_B     0.558     0    0.032   0.090     0.874   90.476   90.476
LGA    L    57_B      L    57_B     0.578     0    0.038   0.076     0.600   90.476   94.048
LGA    Q    58_B      Q    58_B     0.702     0    0.025   0.473     2.074   90.476   84.603
LGA    M    59_B      M    59_B     0.691     0    0.028   0.695     3.144   90.476   85.417
LGA    I    60_B      I    60_B     0.898     0    0.023   0.597     2.063   85.952   83.869
LGA    K    61_B      K    61_B     1.137     0    0.014   0.599     1.878   81.429   81.481
LGA    E    62_B      E    62_B     1.357     0    0.015   0.176     1.559   79.286   80.476
LGA    A    63_B      A    63_B     1.363     0    0.028   0.035     1.727   77.143   78.000
LGA    L    64_B      L    64_B     1.851     0    0.034   0.086     2.181   68.810   69.821
LGA    E    65_B      E    65_B     2.178     0    0.025   0.155     2.533   64.881   66.614
LGA    Q    66_B      Q    66_B     2.351     0    0.126   0.977     3.557   60.952   65.238
LGA    D    67_B      D    67_B     2.728     0    0.045   0.088     3.471   57.143   54.464
LGA    L    68_B      L    68_B     2.306     0    0.028   0.053     2.769   64.762   62.857
LGA    K    69_B      K    69_B     2.606     0    0.024   0.330     3.812   57.143   54.021
LGA    V    70_B      V    70_B     2.580     0    0.138   1.094     4.670   59.048   56.803
LGA    E    71_B      E    71_B     3.452     0    0.033   0.447     5.396   46.667   40.212
LGA    V    72_B      V    72_B     3.517     0    0.022   0.040     3.908   45.000   47.143
LGA    K    73_B      K    73_B     4.619     0    0.038   0.524     6.249   32.857   27.143
LGA    S    74_B      S    74_B     4.526     0    0.099   0.554     5.041   34.286   32.460
LGA    I    75_B      I    75_B     4.103     0    0.026   0.066     4.240   37.143   39.464
LGA    D    76_B      D    76_B     4.546     0    0.050   0.912     8.397   32.857   24.286
LGA    I    77_B      I    77_B     4.458     0    0.102   0.578     7.020   38.690   31.071
LGA    E    78_B      E    78_B     3.488     0    0.050   0.619     4.666   43.452   42.910
LGA    Q    79_B      Q    79_B     4.702     0    0.073   0.803    12.353   37.262   18.571
LGA    Q    80_B      Q    80_B     3.269     0    0.278   1.243     5.469   45.000   46.508
LGA    P    81_B      P    81_B     5.252     0    0.722   0.654     7.960   36.071   24.966
LGA    D    82_B      D    82_B     1.654     0    0.121   0.179     3.151   67.143   64.345
LGA    G    83_B      G    83_B     2.120     0    0.477   0.477     2.120   81.905   81.905
LGA    D    84_B      D    84_B     1.874     0    0.134   0.302     3.835   77.143   62.798
LGA    V    85_B      V    85_B     1.203     0    0.044   0.167     2.155   81.429   75.442
LGA    V    86_B      V    86_B     1.438     0    0.028   0.158     1.898   79.286   78.980
LGA    I    87_B      I    87_B     1.827     0    0.063   0.155     2.225   72.857   69.821
LGA    V    88_B      V    88_B     1.856     0    0.019   0.119     1.932   72.857   72.857
LGA    K    89_B      K    89_B     2.075     0    0.040   0.384     2.884   64.762   65.767
LGA    V    90_B      V    90_B     2.121     0    0.045   0.092     2.191   68.810   67.075
LGA    K    91_B      K    91_B     2.158     0    0.045   0.801     2.580   62.857   69.630
LGA    V    92_B      V    92_B     2.328     0    0.096   0.133     2.517   66.786   64.830
LGA    R    93_B      R    93_B     3.490     0    0.047   1.141    11.109   45.119   27.143
LGA    A    94_B      A    94_B     4.030     0    0.067   0.075     4.030   40.238   40.857
LGA    T    95_B      T    95_B     4.240     0    0.060   1.072     5.901   37.143   38.844
LGA    M    96_B      M    96_B     4.321     0    0.054   0.698     5.175   38.690   33.810
LGA    V    97_B      V    97_B     4.168     0    0.096   0.163     4.930   35.714   37.211
LGA    R    98_B      R    98_B     4.525     0    0.128   1.240     9.463   35.714   23.160
LGA    Q   101_B      Q   101_B     2.918     0    0.134   1.283     8.058   50.119   38.360
LGA    E   102_B      E   102_B     3.027     0    0.049   0.588     3.426   53.571   52.381
LGA    H   103_B      H   103_B     3.518     0    0.062   0.287     3.719   45.000   46.667
LGA    V   104_B      V   104_B     3.421     0    0.029   0.110     3.805   50.000   48.095
LGA    F   105_B      F   105_B     2.942     0    0.046   1.237     7.010   55.357   40.087
LGA    E   106_B      E   106_B     2.166     0    0.078   1.054     4.711   66.786   55.873
LGA    V   107_B      V   107_B     1.390     0    0.032   1.160     3.094   77.143   71.020
LGA    V   108_B      V   108_B     1.162     0    0.017   0.106     1.448   83.690   82.721
LGA    D   109_B      D   109_B     1.276     0    0.041   0.122     1.629   79.286   80.357
LGA    T   110_B      T   110_B     1.379     0    0.042   0.059     1.962   83.690   79.048
LGA    Y   111_B      Y   111_B     1.052     0    0.018   0.115     1.285   81.429   83.690
LGA    E   112_B      E   112_B     0.877     0    0.034   0.320     1.844   92.857   87.566
LGA    F   113_B      F   113_B     0.517     0    0.034   0.155     1.480   92.857   88.052
LGA    R   114_B      R   114_B     0.513     0    0.039   0.898     2.617   92.857   85.931
LGA    R   115_B      R   115_B     0.849     0    0.045   1.254     2.798   83.810   77.143
LGA    K   116_B      K   116_B     1.804     0    0.223   0.833     2.282   75.000   73.069
LGA    G   117_B      G   117_B     1.402     0    0.049   0.049     1.529   79.286   79.286
LGA    D   118_B      D   118_B     0.892     0    0.118   0.510     2.124   90.476   83.869
LGA    S   119_B      S   119_B     0.353     0    0.136   0.640     1.584  100.000   93.889
LGA    W   120_B      W   120_B     0.663     0    0.067   0.218     0.939   97.619   92.517
LGA    K   121_B      K   121_B     0.280     0    0.022   0.098     0.502  100.000   98.942
LGA    I   122_B      I   122_B     0.259     0    0.029   0.083     0.490  100.000  100.000
LGA    V   123_B      V   123_B     0.356     0    0.052   0.080     0.531   97.619   98.639
LGA    K   124_B      K   124_B     0.523     0    0.048   0.155     1.166   92.857   89.524
LGA    L   125_B      L   125_B     0.524     0    0.106   0.116     0.844   90.476   94.048
LGA    V   126_B      V   126_B     0.758     0    0.031   0.053     1.288   90.476   86.599
LGA    S   127_B      S   127_B     0.233     0    0.088   0.631     2.077  100.000   94.127
LGA    E   128_B      E   128_B     0.303     0    0.117   0.745     1.926   95.357   89.683
LGA    I   129_B      I   129_B     1.860     0    0.082   0.673     4.150   69.405   59.048
LGA    T   130_B      T   130_B     4.443     0    0.638   0.999     6.523   32.619   30.340
LGA    Q   131_B      Q   131_B     5.853     0    0.077   0.854    13.664   27.738   12.804
LGA    L   132_B      L   132_B     1.875     0    0.616   1.407     6.238   66.905   48.929
LGA    G   133_B      G   133_B     2.235     0    0.267   0.267     3.037   61.071   61.071
LGA    S   134_B      S   134_B     1.321     0    0.331   0.298     4.386   67.500   60.714

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00    1024   1024  100.00               126
SUMMARY(RMSD_GDC):     2.233          2.220                  2.802           73.451   69.806

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    119    1.99    79.167    78.455     5.707

LGA_LOCAL      RMSD:   1.985  Number of atoms:  119  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.236  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.233  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.827619 * X  +   0.061324 * Y  +  -0.557930 * Z  + -13.045549
  Y_new =  -0.015248 * X  +  -0.996103 * Y  +  -0.086866 * Z  +  19.121714
  Z_new =  -0.561082 * X  +  -0.063385 * Y  +   0.825329 * Z  +  23.697580 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.123171  0.595693 -0.076649   [DEG: -178.9445   34.1307   -4.3917 ]
ZXZ: -1.416343  0.600011 -1.683288   [DEG:  -81.1505   34.3781  -96.4453 ]
 
# END of job
