
#######################################################
#                                                     #
#                        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  131 ( 1045),  selected  131 , name one
# Molecule2: number of CA atoms  141 ( 1116),  selected  131 , 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:   131       1_B - 147_B       2.72     2.72
  LCS_AVERAGE:     92.91

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    64       9_B - 72_B        1.92     2.89
  LONGEST_CONTINUOUS_SEGMENT:    64      10_B - 73_B        1.88     3.00
  LCS_AVERAGE:     40.57

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27     121_B - 147_B       0.96     2.87
  LCS_AVERAGE:     13.97

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  131
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     A     1_B     A     1_B      3    5  131      3    3    3    4    5   52   75  115  120  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     E     2_B     E     2_B      3    5  131      3    3    3    4   78  102  112  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     P     3_B     P     3_B      3    5  131      8   19   32   64   82  107  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     N     4_B     N     4_B      3    5  131      6   31   56   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     L     5_B     L     5_B      3    5  131      8   19   49   64   93  108  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     Y     6_B     Y     6_B      3    4  131      3    3    7   22   67   95  109  118  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     G     7_B     G     7_B      3    5  131      3    3    5   10   17   21   30   40   56  107  118  124  126  129  130  130  130  130  130  131 
LCS_GDT     R     8_B     R     8_B      3   47  131      3    3    5   11   17   26   60   96  109  120  124  126  128  129  130  130  130  130  130  131 
LCS_GDT     Y     9_B     Y     9_B      3   64  131      3    3    3   25   43   79   91  103  118  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     E    10_B     E    10_B     24   64  131     14   59   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     W    11_B     W    11_B     24   64  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     V    12_B     V    12_B     24   64  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     S    13_B     S    13_B     24   64  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     L    14_B     L    14_B     24   64  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     P    15_B     P    15_B     24   64  131     12   53   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     E    16_B     E    16_B     24   64  131     17   55   75   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     L    17_B     L    17_B     24   64  131      4    9   29   80   93  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     D    18_B     D    18_B     24   64  131      4   12   66   89  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     R    19_B     R    19_B     24   64  131     29   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     T    20_B     T    20_B     24   64  131     32   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     L    21_B     L    21_B     24   64  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     Q    22_B     Q    22_B     24   64  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     A    23_B     A    23_B     24   64  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     K    24_B     K    24_B     24   64  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     M    25_B     M    25_B     24   64  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     D    26_B     D    26_B     24   64  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     T    27_B     T    27_B     24   64  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     G    28_B     G    28_B     24   64  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     A    29_B     A    29_B     24   64  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     Y    30_B     Y    30_B     24   64  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     T    31_B     T    31_B     24   64  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     S    32_B     S    32_B     24   64  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     S    33_B     S    33_B     24   64  131      6   22   74   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     L    34_B     L    34_B     20   64  131      4   24   66   81  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     S    35_B     S    35_B     20   64  131     12   52   73   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     A    36_B     A    36_B     20   64  131     11   58   75   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     K    37_B     K    37_B     20   64  131     13   61   74   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     D    38_B     D    38_B     20   64  131      2   58   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     I    39_B     I    39_B     19   64  131     16   39   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     E    40_B     E    40_B     19   64  131     16   27   73   90  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     L    41_B     L    41_B     19   64  131     16   36   75   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     F    42_B     F    42_B     19   64  131     14   27   60   89  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     Q    43_B     Q    43_B     19   64  131     16   32   65   89  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     R    44_B     R    44_B     19   64  131     16   24   41   74  103  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     D    45_B     D    45_B     19   64  131      7   30   48   81  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     G    46_B     G    46_B     19   64  131      9   30   71   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     E    47_B     E    47_B     19   64  131     16   30   71   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     E    48_B     E    48_B     19   64  131     14   56   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     W    49_B     W    49_B     19   64  131     16   42   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     V    50_B     V    50_B     19   64  131     16   57   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     R    51_B     R    51_B     19   64  131     16   43   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     F    52_B     F    52_B     19   64  131     16   43   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     R    53_B     R    53_B     19   64  131     16   56   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     L    54_B     L    54_B     19   64  131     14   57   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     A    55_B     A    55_B     19   64  131      5    9   37   68  102  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     T    56_B     T    56_B     19   64  131      5    9   37   68   99  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     K    57_B     K    57_B     19   64  131      7   29   77   91  103  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     E    58_B     E    58_B      5   64  131      5    5   33   70   95  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     A    59_B     A    59_B      5   64  131      5    5   33   79   98  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     D    60_B     D    60_B      5   64  131     18   61   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     G    61_B     G    61_B     12   64  131     11   24   32   44   81  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     S    62_B     S    62_B     12   64  131     11   24   32   43   67  110  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     V    63_B     V    63_B     12   64  131     13   24   35   74  103  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     F    64_B     F    64_B     12   64  131     16   26   48   90  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     E    65_B     E    65_B     12   64  131     16   30   52   90  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     H    66_B     H    66_B     12   64  131     16   30   51   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     K    67_B     K    67_B     12   64  131     16   30   55   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     L    68_B     L    68_B     12   64  131     16   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     A    69_B     A    69_B     12   64  131     13   56   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     R    70_B     R    70_B     12   64  131      9   56   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     I    71_B     I    71_B     12   64  131      7   22   76   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     G    72_B     G    72_B     12   64  131      7   14   76   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     K    73_B     K    73_B      3   64  131      3    3   17   34   55   83  113  118  120  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     I    74_B     I    74_B      3    4  131      3    3    4    4    5    7    7    8   23   24   27   38   75  100  120  125  127  128  130  131 
LCS_GDT     L    91_B     L    91_B      5   57  131      3   16   36   54   84  111  116  118  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     S    92_B     S    92_B     24   57  131      3    4   31   51   86  111  116  118  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     E    93_B     E    93_B     24   57  131      5   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     R    94_B     R    94_B     24   57  131      4   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     P    95_B     P    95_B     24   57  131     14   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     V    96_B     V    96_B     24   57  131     32   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     I    97_B     I    97_B     24   57  131     45   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     D    98_B     D    98_B     24   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     L    99_B     L    99_B     24   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     Q   100_B     Q   100_B     24   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     V   101_B     V   101_B     24   57  131     45   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     C   102_B     C   102_B     24   57  131     43   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     L   103_B     L   103_B     24   57  131     32   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     G   104_B     G   104_B     24   57  131     28   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     G   105_B     G   105_B     24   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     A   106_B     A   106_B     24   57  131     44   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     M   107_B     M   107_B     24   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     K   108_B     K   108_B     24   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     T   109_B     T   109_B     24   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     I   110_B     I   110_B     24   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     E   111_B     E   111_B     24   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     V   112_B     V   112_B     24   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     N   113_B     N   113_B     24   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     L   114_B     L   114_B     24   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     T   115_B     T   115_B     24   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     D   116_B     D   116_B     24   57  131      7   24   56   84  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     R   117_B     R   117_B      5   57  131      3    4   22   31   38   63  101  112  119  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     S   118_B     S   118_B      4   57  131      3    4    4   11   21   46   83   99  112  118  122  127  128  129  130  130  130  130  130  131 
LCS_GDT     A   119_B     A   119_B      4   57  131      3    4    9   23   60   83  101  110  118  121  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     F   120_B     F   120_B      4   57  131      3    4   14   41   74   95  108  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     N   121_B     N   121_B     27   57  131      3    4   24   71   89  102  113  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     Y   122_B     Y   122_B     27   57  131     19   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     P   123_B     P   123_B     27   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     F   124_B     F   124_B     27   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     L   125_B     L   125_B     27   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     M   126_B     M   126_B     27   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     G   127_B     G   127_B     27   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     T   128_B     T   128_B     27   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     K   129_B     K   129_B     27   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     G   130_B     G   130_B     27   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     L   131_B     L   131_B     27   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     R   132_B     R   132_B     27   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     K   133_B     K   133_B     27   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     F   134_B     F   134_B     27   57  131     15   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     H   135_B     H   135_B     27   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     V   136_B     V   136_B     27   57  131     15   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     A   137_B     A   137_B     27   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     V   138_B     V   138_B     27   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     D   139_B     D   139_B     27   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     P   140_B     P   140_B     27   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     S   141_B     S   141_B     27   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     E   142_B     E   142_B     27   57  131     38   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     R   143_B     R   143_B     27   57  131     38   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     F   144_B     F   144_B     27   57  131     47   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     V   145_B     V   145_B     27   57  131     45   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     A   146_B     A   146_B     27   57  131     10   62   77   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_GDT     D   147_B     D   147_B     27   57  131      0   15   70   91  104  111  116  119  121  123  125  127  128  129  130  130  130  130  130  131 
LCS_AVERAGE  LCS_A:  49.15  (  13.97   40.57   92.91 )

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     47     62     77     91    104    111    116    119    121    123    125    127    128    129    130    130    130    130    130    131 
GDT PERCENT_AT  33.33  43.97  54.61  64.54  73.76  78.72  82.27  84.40  85.82  87.23  88.65  90.07  90.78  91.49  92.20  92.20  92.20  92.20  92.20  92.91
GDT RMS_LOCAL    0.34   0.48   0.81   1.13   1.40   1.56   1.70   1.81   1.87   1.97   2.09   2.22   2.30   2.39   2.50   2.50   2.50   2.50   2.50   2.72
GDT RMS_ALL_AT   2.91   2.89   2.78   2.74   2.74   2.75   2.75   2.75   2.74   2.74   2.74   2.73   2.73   2.73   2.73   2.73   2.73   2.73   2.73   2.72

# Checking swapping
#   possible swapping detected:  Y     9_B      Y     9_B
#   possible swapping detected:  E    16_B      E    16_B
#   possible swapping detected:  E    47_B      E    47_B
#   possible swapping detected:  F    52_B      F    52_B
#   possible swapping detected:  F    64_B      F    64_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  D   116_B      D   116_B
#   possible swapping detected:  F   120_B      F   120_B
#   possible swapping detected:  Y   122_B      Y   122_B
#   possible swapping detected:  F   124_B      F   124_B
#   possible swapping detected:  F   134_B      F   134_B
#   possible swapping detected:  E   142_B      E   142_B
#   possible swapping detected:  F   144_B      F   144_B
#   possible swapping detected:  D   147_B      D   147_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     1_B      A     1_B     5.482     0    0.675   0.620     7.816   37.024   31.048
LGA    E     2_B      E     2_B     4.185     0    0.602   0.936    11.042   40.476   21.534
LGA    P     3_B      P     3_B     3.668     0    0.069   0.348     7.268   50.357   35.714
LGA    N     4_B      N     4_B     2.438     0    0.058   0.947     9.214   61.071   36.488
LGA    L     5_B      L     5_B     3.305     0    0.580   1.040     4.285   52.024   46.131
LGA    Y     6_B      Y     6_B     4.989     0    0.552   0.931     7.864   23.214   19.762
LGA    G     7_B      G     7_B     8.785     0    0.593   0.593     8.785    8.333    8.333
LGA    R     8_B      R     8_B     7.221     0    0.247   1.184    10.296   13.929    6.320
LGA    Y     9_B      Y     9_B     6.077     0    0.080   1.310    14.083   30.952   10.873
LGA    E    10_B      E    10_B     0.934     0    0.663   0.552     5.753   81.786   55.926
LGA    W    11_B      W    11_B     0.444     0    0.043   0.166     1.223  100.000   89.966
LGA    V    12_B      V    12_B     0.274     0    0.041   0.048     0.754   97.619   97.279
LGA    S    13_B      S    13_B     0.529     0    0.059   0.737     2.688   92.857   88.095
LGA    L    14_B      L    14_B     1.159     0    0.059   1.087     3.658   85.952   77.857
LGA    P    15_B      P    15_B     1.156     0    0.054   0.331     1.896   79.286   78.980
LGA    E    16_B      E    16_B     1.783     0    0.014   0.504     4.308   69.048   62.751
LGA    L    17_B      L    17_B     2.964     0    0.120   1.125     5.034   57.262   46.012
LGA    D    18_B      D    18_B     2.340     0    0.036   0.134     4.546   62.857   53.274
LGA    R    19_B      R    19_B     0.891     0    0.084   0.988     4.328   88.214   73.896
LGA    T    20_B      T    20_B     0.736     0    0.017   0.029     1.048   90.476   89.184
LGA    L    21_B      L    21_B     0.568     0    0.043   0.064     0.619   90.476   92.857
LGA    Q    22_B      Q    22_B     0.555     0    0.028   0.528     2.056   95.238   87.725
LGA    A    23_B      A    23_B     0.196     0    0.036   0.042     0.365  100.000  100.000
LGA    K    24_B      K    24_B     0.402     0    0.032   0.076     1.309   95.238   91.640
LGA    M    25_B      M    25_B     0.798     0    0.057   0.628     2.298   90.476   81.726
LGA    D    26_B      D    26_B     0.271     0    0.010   0.226     0.660  100.000   98.810
LGA    T    27_B      T    27_B     0.565     0    0.017   0.029     0.852   95.238   93.197
LGA    G    28_B      G    28_B     0.272     0    0.150   0.150     0.779   97.619   97.619
LGA    A    29_B      A    29_B     0.627     0    0.084   0.111     0.834   90.476   90.476
LGA    Y    30_B      Y    30_B     0.501     0    0.062   0.077     1.526   95.238   87.579
LGA    T    31_B      T    31_B     0.500     0    0.037   0.910     2.652  100.000   86.395
LGA    S    32_B      S    32_B     0.430     0    0.033   0.038     0.609   95.238   93.651
LGA    S    33_B      S    33_B     2.181     0    0.073   0.707     2.352   66.786   66.111
LGA    L    34_B      L    34_B     2.803     0    0.083   1.401     6.386   55.357   45.298
LGA    S    35_B      S    35_B     2.250     0    0.524   0.786     4.381   55.952   61.587
LGA    A    36_B      A    36_B     1.709     0    0.115   0.141     2.207   70.833   71.238
LGA    K    37_B      K    37_B     2.169     0    0.661   0.971     6.638   56.548   43.545
LGA    D    38_B      D    38_B     0.955     0    0.381   0.823     3.332   83.810   75.536
LGA    I    39_B      I    39_B     1.490     0    0.078   1.057     4.089   75.119   66.667
LGA    E    40_B      E    40_B     2.111     0    0.099   0.707     2.862   72.976   65.026
LGA    L    41_B      L    41_B     1.868     0    0.037   0.970     3.050   64.881   64.048
LGA    F    42_B      F    42_B     2.633     0    0.037   1.301     3.654   64.881   63.160
LGA    Q    43_B      Q    43_B     2.419     0    0.035   0.760     3.320   57.262   62.381
LGA    R    44_B      R    44_B     3.482     0    0.065   1.368     4.898   51.786   50.519
LGA    D    45_B      D    45_B     2.938     0    0.026   0.103     4.271   55.357   50.238
LGA    G    46_B      G    46_B     1.786     0    0.035   0.035     2.127   70.833   70.833
LGA    E    47_B      E    47_B     1.851     0    0.120   1.065     4.169   70.833   59.524
LGA    E    48_B      E    48_B     0.629     0    0.043   0.345     3.211   88.214   79.153
LGA    W    49_B      W    49_B     1.210     0    0.069   0.201     4.655   83.690   61.361
LGA    V    50_B      V    50_B     0.571     0    0.012   1.057     2.641   88.214   83.265
LGA    R    51_B      R    51_B     1.426     0    0.026   1.177     4.714   81.429   65.758
LGA    F    52_B      F    52_B     1.108     0    0.019   0.048     1.434   81.429   86.364
LGA    R    53_B      R    53_B     0.899     0    0.104   1.003     2.977   88.214   79.437
LGA    L    54_B      L    54_B     0.802     0    0.108   0.160     2.895   75.476   74.226
LGA    A    55_B      A    55_B     3.398     0    0.198   0.216     4.125   50.357   47.714
LGA    T    56_B      T    56_B     3.598     0    0.048   0.064     4.635   52.143   46.667
LGA    K    57_B      K    57_B     2.338     4    0.353   0.369     3.174   59.167   33.492
LGA    E    58_B      E    58_B     2.882     4    0.317   0.302     5.311   45.952   25.238
LGA    A    59_B      A    59_B     2.804     0    0.631   0.608     3.696   60.952   57.429
LGA    D    60_B      D    60_B     1.481     0    0.028   0.814     4.624   69.048   57.381
LGA    G    61_B      G    61_B     3.267     0    0.594   0.594     4.655   49.405   49.405
LGA    S    62_B      S    62_B     3.668     0    0.078   0.755     5.703   48.333   41.984
LGA    V    63_B      V    63_B     3.001     0    0.073   0.114     3.720   48.333   49.048
LGA    F    64_B      F    64_B     2.386     0    0.033   0.099     3.344   66.786   58.745
LGA    E    65_B      E    65_B     2.215     0    0.023   0.834     6.030   62.857   49.365
LGA    H    66_B      H    66_B     2.186     0    0.014   0.978     4.399   66.786   61.667
LGA    K    67_B      K    67_B     2.151     0    0.042   0.886     6.933   66.786   46.614
LGA    L    68_B      L    68_B     1.409     0    0.107   0.137     2.349   75.119   78.333
LGA    A    69_B      A    69_B     1.902     0    0.223   0.241     2.583   66.905   69.810
LGA    R    70_B      R    70_B     2.050     0    0.029   1.115     3.843   68.810   67.489
LGA    I    71_B      I    71_B     2.268     0    0.143   1.206     5.309   64.762   58.036
LGA    G    72_B      G    72_B     2.220     0    0.180   0.180     5.861   47.024   47.024
LGA    K    73_B      K    73_B     6.670     0    0.144   0.617     8.759   14.048   12.593
LGA    I    74_B      I    74_B    13.027     0    0.586   1.488    16.964    0.000    0.000
LGA    L    91_B      L    91_B     4.388     0    0.385   0.392     5.302   34.405   37.321
LGA    S    92_B      S    92_B     4.388     0    0.051   0.599     6.929   37.262   31.429
LGA    E    93_B      E    93_B     2.544     0    0.347   0.835     3.501   55.357   60.000
LGA    R    94_B      R    94_B     1.678     0    0.023   1.351     7.555   72.857   53.723
LGA    P    95_B      P    95_B     1.464     0    0.041   0.355     1.549   83.690   81.497
LGA    V    96_B      V    96_B     0.994     0    0.063   0.092     1.223   83.690   86.599
LGA    I    97_B      I    97_B     1.349     0    0.062   0.080     1.961   81.429   77.143
LGA    D    98_B      D    98_B     1.664     0    0.148   0.219     2.565   68.929   73.036
LGA    L    99_B      L    99_B     1.346     0    0.060   0.096     1.382   81.429   81.429
LGA    Q   100_B      Q   100_B     1.382     0    0.058   0.738     3.673   81.429   77.354
LGA    V   101_B      V   101_B     0.859     0    0.045   0.048     0.987   90.476   90.476
LGA    C   102_B      C   102_B     0.809     0    0.061   0.196     1.124   90.476   88.968
LGA    L   103_B      L   103_B     0.881     0    0.017   0.886     2.006   90.476   81.726
LGA    G   104_B      G   104_B     0.934     0    0.598   0.598     3.723   76.429   76.429
LGA    G   105_B      G   105_B     0.827     0    0.143   0.143     1.112   85.952   85.952
LGA    A   106_B      A   106_B     0.785     0    0.041   0.054     0.786   90.476   90.476
LGA    M   107_B      M   107_B     0.888     0    0.049   0.684     1.904   90.476   83.869
LGA    K   108_B      K   108_B     1.217     0    0.024   0.780     2.516   81.429   74.021
LGA    T   109_B      T   109_B     1.355     0    0.041   0.082     1.609   81.429   80.204
LGA    I   110_B      I   110_B     1.279     0    0.069   1.108     3.059   81.429   75.357
LGA    E   111_B      E   111_B     0.932     0    0.025   0.381     2.063   88.214   83.598
LGA    V   112_B      V   112_B     0.795     0    0.014   1.068     3.055   90.476   83.401
LGA    N   113_B      N   113_B     0.832     0    0.019   0.861     3.992   90.476   74.524
LGA    L   114_B      L   114_B     0.874     0    0.020   0.058     0.941   90.476   90.476
LGA    T   115_B      T   115_B     0.874     0    0.020   0.108     2.153   81.786   79.252
LGA    D   116_B      D   116_B     2.673     0    0.615   1.046     6.070   55.833   46.369
LGA    R   117_B      R   117_B     5.392     0    0.353   1.224    15.698   19.881    7.922
LGA    S   118_B      S   118_B     7.605     0    0.661   0.587     9.013   15.000   11.032
LGA    A   119_B      A   119_B     6.360     0    0.163   0.166     6.801   17.262   16.476
LGA    F   120_B      F   120_B     4.713     0    0.081   0.199     5.991   32.976   29.740
LGA    N   121_B      N   121_B     4.006     0    0.655   0.573     5.326   37.619   34.583
LGA    Y   122_B      Y   122_B     1.003     0    0.304   0.375     2.132   77.262   82.302
LGA    P   123_B      P   123_B     0.315     0    0.009   0.033     0.406  100.000  100.000
LGA    F   124_B      F   124_B     0.456     0    0.031   0.245     0.818  100.000   97.403
LGA    L   125_B      L   125_B     0.338     0    0.069   0.642     1.575  100.000   94.286
LGA    M   126_B      M   126_B     0.430     0    0.055   0.131     0.554  100.000   97.619
LGA    G   127_B      G   127_B     0.162     0    0.047   0.047     0.348  100.000  100.000
LGA    T   128_B      T   128_B     0.695     0    0.042   0.054     1.036   92.857   90.544
LGA    K   129_B      K   129_B     0.869     0    0.014   0.735     3.953   88.214   78.413
LGA    G   130_B      G   130_B     0.770     0    0.036   0.036     0.823   90.476   90.476
LGA    L   131_B      L   131_B     0.705     0    0.025   0.064     1.044   88.214   92.917
LGA    R   132_B      R   132_B     1.123     0    0.024   1.521     9.112   83.690   51.558
LGA    K   133_B      K   133_B     1.361     0    0.054   0.563     3.363   79.286   72.381
LGA    F   134_B      F   134_B     1.290     0    0.019   1.361     6.322   79.286   58.831
LGA    H   135_B      H   135_B     1.224     0    0.102   0.969     6.823   81.429   55.095
LGA    V   136_B      V   136_B     1.252     0    0.047   1.014     2.545   81.429   75.510
LGA    A   137_B      A   137_B     1.330     0    0.093   0.133     1.597   79.286   79.714
LGA    V   138_B      V   138_B     1.219     0    0.015   0.098     1.225   81.429   81.429
LGA    D   139_B      D   139_B     1.229     0    0.045   0.108     1.324   81.429   81.429
LGA    P   140_B      P   140_B     1.197     0    0.036   0.302     1.211   81.429   82.721
LGA    S   141_B      S   141_B     1.216     0    0.047   0.656     3.456   81.429   76.190
LGA    E   142_B      E   142_B     1.167     0    0.044   0.132     1.774   81.429   78.571
LGA    R   143_B      R   143_B     0.963     0    0.082   1.172     5.645   90.476   62.121
LGA    F   144_B      F   144_B     0.625     0    0.018   0.051     0.794   90.476   92.208
LGA    V   145_B      V   145_B     1.081     0    0.173   0.220     1.572   81.429   80.204
LGA    A   146_B      A   146_B     1.370     0    0.599   0.538     3.618   69.762   68.762
LGA    D   147_B      D   147_B     2.051     0    0.106   1.117     5.346   58.333   53.214

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      131     524    524  100.00    1037   1037  100.00               141
SUMMARY(RMSD_GDC):     2.725          2.772                  3.532           66.596   61.367

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  141    4.0    119    1.81    71.277    66.921     6.246

LGA_LOCAL      RMSD:   1.805  Number of atoms:  119  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.748  Number of assigned atoms:  131 
Std_ASGN_ATOMS RMSD:   2.725  Standard rmsd on all 131 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.879492 * X  +  -0.475276 * Y  +  -0.024619 * Z  +   1.301239
  Y_new =  -0.133731 * X  +   0.197158 * Y  +   0.971208 * Z  +   9.731214
  Z_new =  -0.456738 * X  +   0.857462 * Y  +  -0.236958 * Z  +  48.808887 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.990694  0.474325  1.840415   [DEG: -171.3542   27.1768  105.4480 ]
ZXZ: -3.116249  1.810030 -0.489435   [DEG: -178.5479  103.7070  -28.0426 ]
 
# END of job
