
#######################################################
#                                                     #
#                        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       2.24     2.24
  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:    44      28_B - 71_B        0.99     3.00
  LONGEST_CONTINUOUS_SEGMENT:    44      29_B - 72_B        0.99     3.07
  LCS_AVERAGE:     25.86

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     32   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E     8_B     E     8_B     38   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A     9_B     A     9_B     38   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    10_B     K    10_B     38   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    11_B     E    11_B     38   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    12_B     A    12_B     38   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    13_B     I    13_B     38   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    14_B     I    14_B     38   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    15_B     A    15_B     38   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    16_B     M    16_B     38   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    17_B     L    17_B     38   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    18_B     K    18_B     38   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    19_B     E    19_B     38   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W    20_B     W    20_B     38   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    21_B     Y    21_B     38   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    22_B     D    22_B     38   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    23_B     A    23_B     38   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    24_B     M    24_B     38   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    25_B     N    25_B     38   88  126     35   64   79   88   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    26_B     E    26_B     38   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    27_B     G    27_B     38   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    28_B     D    28_B     44   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    29_B     M    29_B     44   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    30_B     E    30_B     44   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    31_B     K    31_B     44   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    32_B     L    32_B     44   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    33_B     R    33_B     44   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    34_B     S    34_B     44   88  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    35_B     L    35_B     44   88  126     32   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    36_B     V    36_B     44   88  126     32   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    37_B     D    37_B     44   88  126     32   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    38_B     P    38_B     44   88  126     32   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    39_B     D    39_B     44   88  126     32   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    40_B     A    40_B     44   88  126     32   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    41_B     S    41_B     44   88  126     32   63   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    42_B     F    42_B     44   88  126     32   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    43_B     V    43_B     44   88  126     29   63   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    44_B     D    44_B     44   88  126      9   50   75   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    45_B     A    45_B     44   88  126      3    9   10   16   76   95  104  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    46_B     R    46_B     44   88  126      3    9   40   65   86   97  107  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    47_B     T    47_B     44   88  126     11   50   75   88   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    48_B     N    48_B     44   88  126      4   37   62   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    49_B     Q    49_B     44   88  126     32   63   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    50_B     V    50_B     44   88  126     32   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    51_B     Y    51_B     44   88  126     32   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    52_B     D    52_B     44   88  126     32   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    53_B     K    53_B     44   88  126     32   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    54_B     D    54_B     44   88  126     32   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    55_B     Q    55_B     44   88  126     32   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    56_B     F    56_B     44   88  126     32   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    57_B     L    57_B     44   88  126     32   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    58_B     Q    58_B     44   88  126     32   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    59_B     M    59_B     44   88  126     32   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    60_B     I    60_B     44   88  126     29   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    61_B     K    61_B     44   88  126     29   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    62_B     E    62_B     44   88  126     29   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    63_B     A    63_B     44   88  126     29   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    64_B     L    64_B     44   88  126     21   58   79   88   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    65_B     E    65_B     44   88  126     15   58   79   88   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    66_B     Q    66_B     44   88  126     15   58   79   88   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    67_B     D    67_B     44   88  126     17   46   75   88   97  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    68_B     L    68_B     44   88  126     13   46   75   88   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    69_B     K    69_B     44   88  126     18   46   75   88   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    70_B     V    70_B     44   88  126     18   46   75   88   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    71_B     E    71_B     44   88  126     11   34   60   82   93  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    72_B     V    72_B     44   88  126     13   34   57   82   93  107  112  118  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   60   89   97  112  118  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   44   65   89   98  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    75_B     I    75_B     33   88  126      6   32   51   78   90   98  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    76_B     D    76_B     33   88  126      5   29   49   77   89   98  109  117  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   49   77   89   98  109  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    78_B     E    78_B     33   88  126     13   34   57   82   93  107  112  118  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    7   20   56   94  109  117  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    80_B     Q    80_B      5   88  126      3   18   49   71   93  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    81_B     P    81_B      5   88  126      3    4    6   16   47   78  103  116  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    82_B     D    82_B      4   88  126     17   47   78   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    83_B     G    83_B     15   88  126     14   36   71   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    84_B     D    84_B     15   88  126     10   40   74   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    85_B     V    85_B     15   88  126     22   63   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    86_B     V    86_B     15   88  126     22   63   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    87_B     I    87_B     15   88  126     22   55   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    88_B     V    88_B     15   88  126     22   55   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    89_B     K    89_B     15   88  126     20   55   77   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    90_B     V    90_B     15   88  126     20   44   77   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    91_B     K    91_B     15   88  126     20   43   71   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    92_B     V    92_B     15   88  126     20   40   71   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    93_B     R    93_B     15   88  126     18   37   56   77   98  104  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    94_B     A    94_B     15   88  126      5   19   55   71   91  103  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    95_B     T    95_B     15   54  126      6   37   55   71   91  103  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    96_B     M    96_B     15   54  126      6   37   55   70   91  103  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    97_B     V    97_B     15   54  126      6   36   55   70   91  103  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    98_B     R    98_B     13   54  126      6   11   16   52   79   94  106  116  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   101_B     Q   101_B     29   54  126      5   11   18   80   98  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   102_B     E   102_B     29   54  126     16   40   66   85   98  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   103_B     H   103_B     29   54  126     20   37   56   77   98  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   104_B     V   104_B     29   54  126     18   37   56   77   98  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   105_B     F   105_B     29   54  126      5   37   56   85   98  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   106_B     E   106_B     29   54  126     18   40   71   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   107_B     V   107_B     29   54  126     20   44   75   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   108_B     V   108_B     29   54  126     20   58   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   109_B     D   109_B     29   54  126     22   62   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   110_B     T   110_B     29   54  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B     29   54  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_B     E   112_B     29   54  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   113_B     F   113_B     29   54  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     29   54  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   115_B     R   115_B     29   54  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   116_B     K   116_B     29   54  126     10   29   69   88   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   117_B     G   117_B     29   54  126      6   48   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   118_B     D   118_B     29   54  126     32   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   119_B     S   119_B     29   54  126     32   64   79   89   99  107  112  118  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   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   121_B     K   121_B     29   54  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   122_B     I   122_B     29   54  126     35   64   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   123_B     V   123_B     29   54  126     32   64   79   89   99  107  112  118  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   89   99  107  112  118  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   89   99  107  112  118  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   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   127_B     S   127_B     29   54  126     32   63   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   128_B     E   128_B     29   54  126     32   63   79   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   129_B     I   129_B     29   54  126      7   36   71   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   130_B     T   130_B     12   54  126      3    5   22   46   85   99  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   131_B     Q   131_B      9   54  126      2    6   12   30   55   78  100  110  123  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_B     L   132_B      4   54  126      3   16   69   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   133_B     G   133_B      4   54  126      7   40   71   88   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   134_B     S   134_B      3   54  126     15   44   71   89   99  107  112  118  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  62.52  (  25.86   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     35     64     79     89     99    107    112    118    125    126    126    126    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  27.78  50.79  62.70  70.63  78.57  84.92  88.89  93.65  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    0.30   0.60   0.78   1.08   1.26   1.54   1.72   1.95   2.19   2.24   2.24   2.24   2.24   2.24   2.24   2.24   2.24   2.24   2.24   2.24
GDT RMS_ALL_AT   3.07   2.58   2.53   2.36   2.34   2.28   2.28   2.24   2.24   2.24   2.24   2.24   2.24   2.24   2.24   2.24   2.24   2.24   2.24   2.24

# 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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     0.878     0    0.243   0.848     3.822   81.548   70.106
LGA    E     8_B      E     8_B     1.303     0    0.051   1.068     4.119   81.429   67.513
LGA    A     9_B      A     9_B     0.746     0    0.044   0.054     0.914   90.476   90.476
LGA    K    10_B      K    10_B     0.911     0    0.047   0.557     1.683   85.952   84.497
LGA    E    11_B      E    11_B     1.343     0    0.038   0.734     4.344   81.429   66.667
LGA    A    12_B      A    12_B     1.015     0    0.024   0.026     1.089   85.952   85.048
LGA    I    13_B      I    13_B     1.021     0    0.015   0.269     1.814   85.952   82.619
LGA    I    14_B      I    14_B     1.011     0    0.024   0.205     1.276   83.690   84.821
LGA    A    15_B      A    15_B     1.209     0    0.035   0.044     1.486   81.429   81.429
LGA    M    16_B      M    16_B     1.265     0    0.015   0.801     4.007   81.429   74.821
LGA    L    17_B      L    17_B     1.290     0    0.020   0.074     1.483   81.429   82.560
LGA    K    18_B      K    18_B     1.577     0    0.043   0.653     4.856   75.000   60.423
LGA    E    19_B      E    19_B     1.291     0    0.024   0.693     2.716   81.429   72.328
LGA    W    20_B      W    20_B     1.331     0    0.020   0.233     1.944   79.286   79.660
LGA    Y    21_B      Y    21_B     1.442     0    0.024   0.155     1.769   77.143   80.000
LGA    D    22_B      D    22_B     1.674     0    0.011   0.035     1.808   72.857   72.857
LGA    A    23_B      A    23_B     1.553     0    0.035   0.046     1.624   72.857   74.571
LGA    M    24_B      M    24_B     1.864     0    0.073   0.957     3.072   68.810   63.988
LGA    N    25_B      N    25_B     1.973     0    0.058   0.821     3.083   70.833   67.976
LGA    E    26_B      E    26_B     1.581     0    0.054   0.114     1.700   72.857   78.624
LGA    G    27_B      G    27_B     1.549     0    0.059   0.059     1.596   75.000   75.000
LGA    D    28_B      D    28_B     0.942     0    0.024   0.076     0.992   90.476   90.476
LGA    M    29_B      M    29_B     0.961     0    0.039   0.189     1.354   90.476   87.083
LGA    E    30_B      E    30_B     0.630     0    0.034   1.025     3.936   90.476   76.138
LGA    K    31_B      K    31_B     0.625     0    0.036   1.126     4.112   90.476   82.593
LGA    L    32_B      L    32_B     0.670     0    0.029   0.079     1.104   90.476   89.345
LGA    R    33_B      R    33_B     0.690     0    0.025   1.220     4.974   90.476   79.740
LGA    S    34_B      S    34_B     0.574     0    0.136   0.739     1.763   92.857   89.127
LGA    L    35_B      L    35_B     0.452     0    0.024   0.103     1.197   97.619   94.107
LGA    V    36_B      V    36_B     0.428     0    0.050   0.067     0.557  100.000   98.639
LGA    D    37_B      D    37_B     0.363     0    0.036   0.112     0.438  100.000  100.000
LGA    P    38_B      P    38_B     0.796     0    0.015   0.078     0.985   90.476   90.476
LGA    D    39_B      D    39_B     0.776     0    0.049   0.707     1.865   90.476   87.143
LGA    A    40_B      A    40_B     0.593     0    0.027   0.057     0.881   90.476   90.476
LGA    S    41_B      S    41_B     0.834     0    0.099   0.094     0.949   90.476   90.476
LGA    F    42_B      F    42_B     0.443     0    0.098   0.103     0.648   92.857   97.403
LGA    V    43_B      V    43_B     0.981     0    0.050   0.072     1.410   85.952   84.014
LGA    D    44_B      D    44_B     1.979     0    0.108   0.614     3.166   70.833   66.964
LGA    A    45_B      A    45_B     4.464     0    0.131   0.141     5.823   35.952   33.048
LGA    R    46_B      R    46_B     4.310     0    0.053   0.845     8.188   40.238   27.056
LGA    T    47_B      T    47_B     2.266     0    0.040   0.051     3.015   69.048   65.102
LGA    N    48_B      N    48_B     1.922     0    0.020   1.069     4.159   75.119   63.690
LGA    Q    49_B      Q    49_B     1.031     0    0.075   1.158     5.965   79.286   58.095
LGA    V    50_B      V    50_B     0.605     0    0.011   0.055     0.850   90.476   90.476
LGA    Y    51_B      Y    51_B     0.609     0    0.006   0.157     1.154   90.476   88.214
LGA    D    52_B      D    52_B     0.393     0    0.019   0.080     0.943   97.619   95.238
LGA    K    53_B      K    53_B     0.224     0    0.015   0.061     0.412  100.000  100.000
LGA    D    54_B      D    54_B     0.552     0    0.040   0.091     0.629   92.857   91.667
LGA    Q    55_B      Q    55_B     0.605     0    0.030   0.216     0.789   90.476   90.476
LGA    F    56_B      F    56_B     0.575     0    0.032   0.087     0.917   90.476   90.476
LGA    L    57_B      L    57_B     0.609     0    0.037   0.076     0.632   90.476   92.857
LGA    Q    58_B      Q    58_B     0.728     0    0.026   0.474     2.089   90.476   85.608
LGA    M    59_B      M    59_B     0.717     0    0.028   0.697     3.161   90.476   85.417
LGA    I    60_B      I    60_B     0.936     0    0.022   0.597     2.096   85.952   83.869
LGA    K    61_B      K    61_B     1.186     0    0.014   0.599     1.850   81.429   81.481
LGA    E    62_B      E    62_B     1.397     0    0.015   0.176     1.605   79.286   80.476
LGA    A    63_B      A    63_B     1.400     0    0.028   0.035     1.780   77.143   78.000
LGA    L    64_B      L    64_B     1.925     0    0.033   0.087     2.272   68.810   68.810
LGA    E    65_B      E    65_B     2.261     0    0.025   0.156     2.620   62.857   63.915
LGA    Q    66_B      Q    66_B     2.417     0    0.125   0.980     3.580   60.952   63.439
LGA    D    67_B      D    67_B     2.818     0    0.045   0.087     3.566   57.143   53.631
LGA    L    68_B      L    68_B     2.382     0    0.029   0.052     2.799   64.762   62.857
LGA    K    69_B      K    69_B     2.706     0    0.025   0.330     3.913   57.143   53.280
LGA    V    70_B      V    70_B     2.681     0    0.142   1.093     4.701   59.048   56.803
LGA    E    71_B      E    71_B     3.580     0    0.032   0.447     5.491   45.000   38.783
LGA    V    72_B      V    72_B     3.646     0    0.021   0.040     4.029   41.786   44.354
LGA    K    73_B      K    73_B     4.730     0    0.038   0.526     6.350   32.857   27.143
LGA    S    74_B      S    74_B     4.637     0    0.099   0.554     5.149   34.286   31.587
LGA    I    75_B      I    75_B     4.214     0    0.029   0.067     4.355   37.143   39.464
LGA    D    76_B      D    76_B     4.666     0    0.043   0.907     8.567   31.429   23.333
LGA    I    77_B      I    77_B     4.576     0    0.101   0.184     6.374   34.286   28.512
LGA    E    78_B      E    78_B     3.561     0    0.051   0.621     4.648   40.238   41.481
LGA    Q    79_B      Q    79_B     4.881     0    0.070   0.800    12.492   35.833   17.725
LGA    Q    80_B      Q    80_B     3.438     0    0.292   1.245     5.575   45.000   45.979
LGA    P    81_B      P    81_B     5.309     0    0.709   0.614     8.942   34.762   23.129
LGA    D    82_B      D    82_B     1.462     0    0.114   0.170     3.082   69.286   66.310
LGA    G    83_B      G    83_B     2.211     0    0.480   0.480     2.211   81.905   81.905
LGA    D    84_B      D    84_B     1.694     0    0.130   0.282     3.283   77.143   66.250
LGA    V    85_B      V    85_B     1.128     0    0.048   0.163     2.023   81.429   75.442
LGA    V    86_B      V    86_B     1.300     0    0.026   0.145     1.740   81.429   80.204
LGA    I    87_B      I    87_B     1.723     0    0.065   0.156     2.146   72.857   70.833
LGA    V    88_B      V    88_B     1.754     0    0.019   0.115     1.836   72.857   72.857
LGA    K    89_B      K    89_B     1.996     0    0.049   0.388     2.782   68.810   67.566
LGA    V    90_B      V    90_B     2.041     0    0.043   0.084     2.107   70.833   69.388
LGA    K    91_B      K    91_B     2.052     0    0.045   0.800     2.486   64.762   70.476
LGA    V    92_B      V    92_B     2.222     0    0.096   0.130     2.438   66.786   67.075
LGA    R    93_B      R    93_B     3.391     0    0.048   1.150    11.077   46.667   27.706
LGA    A    94_B      A    94_B     3.969     0    0.067   0.076     3.969   43.333   43.333
LGA    T    95_B      T    95_B     4.159     0    0.060   1.071     5.815   37.143   38.844
LGA    M    96_B      M    96_B     4.240     0    0.052   0.696     5.080   38.690   34.464
LGA    V    97_B      V    97_B     4.025     0    0.097   0.167     4.818   35.714   38.980
LGA    R    98_B      R    98_B     4.430     0    0.123   1.237     9.560   37.143   23.593
LGA    Q   101_B      Q   101_B     2.705     0    0.134   1.285     7.658   55.357   42.963
LGA    E   102_B      E   102_B     2.789     0    0.045   0.599     3.264   57.143   54.762
LGA    H   103_B      H   103_B     3.377     0    0.065   0.201     3.613   48.333   49.333
LGA    V   104_B      V   104_B     3.353     0    0.026   0.099     3.692   50.000   49.048
LGA    F   105_B      F   105_B     2.870     0    0.045   1.237     6.977   55.357   40.390
LGA    E   106_B      E   106_B     2.079     0    0.078   1.057     4.713   68.810   56.772
LGA    V   107_B      V   107_B     1.293     0    0.031   1.160     3.026   79.286   72.245
LGA    V   108_B      V   108_B     1.086     0    0.019   0.097     1.354   83.690   82.721
LGA    D   109_B      D   109_B     1.370     0    0.097   0.184     1.918   77.143   79.286
LGA    T   110_B      T   110_B     1.336     0    0.039   0.053     1.929   83.690   79.048
LGA    Y   111_B      Y   111_B     0.954     0    0.016   0.110     1.185   85.952   86.706
LGA    E   112_B      E   112_B     0.819     0    0.031   0.321     1.852   92.857   87.566
LGA    F   113_B      F   113_B     0.443     0    0.034   0.159     1.385   95.238   89.784
LGA    R   114_B      R   114_B     0.596     0    0.039   0.889     2.601   92.857   85.931
LGA    R   115_B      R   115_B     0.999     0    0.037   1.289     2.712   81.786   76.407
LGA    K   116_B      K   116_B     2.107     0    0.222   0.850     2.429   68.929   69.365
LGA    G   117_B      G   117_B     1.891     0    0.047   0.047     1.932   75.000   75.000
LGA    D   118_B      D   118_B     1.459     0    0.117   0.976     3.350   83.810   72.500
LGA    S   119_B      S   119_B     0.220     0    0.118   0.653     1.884   97.619   92.302
LGA    W   120_B      W   120_B     0.644     0    0.055   0.151     0.854   95.238   91.837
LGA    K   121_B      K   121_B     0.308     0    0.025   0.099     0.494  100.000  100.000
LGA    I   122_B      I   122_B     0.253     0    0.030   0.083     0.438  100.000  100.000
LGA    V   123_B      V   123_B     0.385     0    0.051   0.079     0.584   97.619   98.639
LGA    K   124_B      K   124_B     0.547     0    0.048   0.156     1.176   95.238   90.582
LGA    L   125_B      L   125_B     0.550     0    0.103   0.114     0.912   90.476   94.048
LGA    V   126_B      V   126_B     0.791     0    0.032   0.067     1.276   90.476   86.599
LGA    S   127_B      S   127_B     0.243     0    0.090   0.631     2.042  100.000   94.127
LGA    E   128_B      E   128_B     0.365     0    0.113   0.745     1.826   97.619   90.688
LGA    I   129_B      I   129_B     1.760     0    0.082   0.673     4.112   69.405   59.048
LGA    T   130_B      T   130_B     4.307     0    0.638   0.999     6.422   32.619   30.884
LGA    Q   131_B      Q   131_B     5.713     0    0.079   0.852    13.539   27.738   13.175
LGA    L   132_B      L   132_B     1.790     0    0.620   1.403     6.333   66.905   48.929
LGA    G   133_B      G   133_B     2.381     0    0.163   0.163     2.909   62.857   62.857
LGA    S   134_B      S   134_B     2.099     0    0.110   0.626     4.201   50.952   58.254

# 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):     2.236          2.228                  2.800           73.485   69.942

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    118    1.95    78.770    78.357     5.756

LGA_LOCAL      RMSD:   1.950  Number of atoms:  118  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.241  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.236  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.967290 * X  +  -0.161703 * Y  +  -0.195452 * Z  + -11.335895
  Y_new =   0.178912 * X  +  -0.981098 * Y  +  -0.073744 * Z  +  20.107719
  Z_new =  -0.179833 * X  +  -0.106300 * Y  +   0.977937 * Z  +  23.003683 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.958698  0.180817 -0.108273   [DEG:  169.5209   10.3600   -6.2036 ]
ZXZ: -1.210012  0.210451 -2.104650   [DEG:  -69.3286   12.0580 -120.5876 ]
 
# END of job
