
#######################################################
#                                                     #
#                        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  155 ( 1262),  selected  153 , name one
# Molecule2: number of CA atoms  153 ( 1242),  selected  153 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114      40_C - 153_C       4.84    22.66
  LCS_AVERAGE:     61.05

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   108      45_C - 152_C       1.81    25.39
  LONGEST_CONTINUOUS_SEGMENT:   108      46_C - 153_C       1.83    25.65
  LCS_AVERAGE:     53.18

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    80      68_C - 147_C       1.00    25.89
  LONGEST_CONTINUOUS_SEGMENT:    80      69_C - 148_C       1.00    25.86
  LCS_AVERAGE:     35.07

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  153
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     M     1_C     M     1_C      3   10   19      0    3    3    3    7   10   11   13   15   15   18   22   23   27   28   30   32   35   43   48 
LCS_GDT     H     2_C     H     2_C      9   11   19      4    7    9    9   10   10   11   13   15   15   18   20   21   24   25   27   28   31   39   40 
LCS_GDT     C     3_C     C     3_C      9   11   19      4    7    9    9   10   10   11   13   15   15   18   20   23   27   40   43   49   55   58   62 
LCS_GDT     P     4_C     P     4_C      9   11   19      4    7    9    9   10   10   11   13   15   15   18   20   21   22   24   26   27   31   33   50 
LCS_GDT     F     5_C     F     5_C      9   11   23      4    7    9    9   10   10   11   13   15   15   18   24   31   39   45   49   53   55   58   62 
LCS_GDT     C     6_C     C     6_C      9   11   23      3    7    9   12   17   19   20   22   22   25   30   36   39   42   46   49   53   55   58   62 
LCS_GDT     F     7_C     F     7_C      9   11   23      4    7    9    9   10   10   11   13   18   22   25   27   31   35   40   44   51   55   58   62 
LCS_GDT     A     8_C     A     8_C      9   11   23      4    7    9    9   11   14   17   19   20   24   27   28   33   35   38   45   48   55   58   62 
LCS_GDT     V     9_C     V     9_C      9   11   29      5    7    9    9   10   10   12   16   19   22   27   28   33   35   38   40   42   44   47   54 
LCS_GDT     D    10_C     D    10_C      9   11   31      5    7    9    9   11   14   17   19   20   24   27   28   33   35   38   45   48   55   58   62 
LCS_GDT     T    11_C     T    11_C      7   11   31      5    6    7    8   11   14   17   19   20   24   27   28   33   39   43   49   53   55   58   62 
LCS_GDT     K    12_C     K    12_C      7   11   37      5    6    7   10   12   15   17   20   22   24   29   36   39   42   46   49   53   55   58   62 
LCS_GDT     V    13_C     V    13_C      7   10   37      5    6    7   10   12   14   17   20   22   24   29   36   39   42   46   49   53   55   58   62 
LCS_GDT     I    14_C     I    14_C      7   10   37      3    6    7    8   10   13   17   20   22   25   30   36   39   42   46   49   53   55   58   62 
LCS_GDT     D    15_C     D    15_C      7   10   37      3    6    7   10   11   14   17   20   22   25   30   36   39   42   46   49   53   55   58   62 
LCS_GDT     S    16_C     S    16_C      6   10   37      4    6    7   10   12   15   17   20   22   25   30   36   39   42   46   49   53   55   58   62 
LCS_GDT     R    17_C     R    17_C      6   10   37      4    6    7   10   12   15   17   20   22   25   30   36   39   42   46   49   53   55   58   62 
LCS_GDT     L    18_C     L    18_C      6   10   37      4    6    7   10   15   17   18   20   22   25   30   36   39   42   46   49   53   55   58   62 
LCS_GDT     V    19_C     V    19_C      6   10   37      4    6    7   10   12   15   20   20   22   25   30   36   39   49   53   63   65   68   72   75 
LCS_GDT     G    20_C     G    20_C      5   10   37      3    5    7    7   11   14   17   20   22   25   30   36   43   63   69   73   77   83  100  104 
LCS_GDT     E    21_C     E    21_C      4   10   37      3    4    5   10   12   19   20   20   22   25   30   36   39   42   46   49   53   55   58   62 
LCS_GDT     G    22_C     G    22_C      4   19   37      3    5    7   10   12   18   19   22   22   25   30   36   39   42   46   49   53   55   58   62 
LCS_GDT     S    23_C     S    23_C      6   20   37      3    6   10   15   17   18   19   22   22   25   30   36   39   42   46   49   53   55   58   62 
LCS_GDT     S    24_C     S    24_C      6   20   37      3    5   12   15   17   18   19   22   22   25   30   36   39   42   46   49   53   55   58   62 
LCS_GDT     V    25_C     V    25_C      6   20   37      3    5   12   15   17   18   19   22   22   25   30   36   39   42   46   49   53   55   58   62 
LCS_GDT     R    26_C     R    26_C     14   20   37      5    8   13   15   17   18   19   22   22   25   30   36   39   42   46   49   53   55   58   62 
LCS_GDT     R    27_C     R    27_C     16   20   37      6   12   15   16   17   19   20   22   22   25   30   36   39   42   46   49   53   55   58   63 
LCS_GDT     R    28_C     R    28_C     16   20   37      8   13   15   16   17   19   20   22   22   25   30   36   39   42   46   49   53   55   58   62 
LCS_GDT     R    29_C     R    29_C     16   20   37      8   13   15   16   17   19   20   22   22   25   30   36   39   42   46   49   53   55   58   62 
LCS_GDT     Q    30_C     Q    30_C     16   20   37      8   13   15   16   17   19   20   22   22   25   30   34   38   42   46   49   53   55   58   62 
LCS_GDT     C    31_C     C    31_C     16   20   37      7   13   15   16   17   19   20   22   22   25   30   36   39   42   46   49   53   55   58   62 
LCS_GDT     L    32_C     L    32_C     16   20   37      6   11   15   16   17   19   20   22   22   24   26   30   35   37   41   46   50   53   54   57 
LCS_GDT     V    33_C     V    33_C     16   20   37      8   13   15   16   17   19   20   22   22   25   30   34   38   41   46   49   51   54   56   61 
LCS_GDT     C    34_C     C    34_C     16   20   37      8   13   15   16   17   19   20   22   22   25   30   36   39   42   46   49   53   55   58   62 
LCS_GDT     N    35_C     N    35_C     16   20   37      8   13   15   16   17   19   20   22   22   25   30   31   36   40   43   45   50   53   55   58 
LCS_GDT     E    36_C     E    36_C     16   20   37      8   13   15   16   17   19   20   22   22   25   30   34   38   41   46   49   53   55   58   62 
LCS_GDT     R    37_C     R    37_C     16   20   37      8   13   15   16   17   19   20   22   22   25   30   34   38   41   46   49   53   55   58   62 
LCS_GDT     F    38_C     F    38_C     16   20   37      6   13   15   16   17   19   20   22   22   25   30   36   39   42   46   49   53   55   59   66 
LCS_GDT     T    39_C     T    39_C     16   20   37      6   13   15   16   17   19   20   22   22   25   30   36   39   43   50   55   66   71   76   82 
LCS_GDT     T    40_C     T    40_C     16   20  114      3   13   15   16   17   19   20   22   23   27   32   39   49   58   64   68   73   77   88   95 
LCS_GDT     F    41_C     F    41_C     16   20  114      6   13   15   16   17   19   20   26   34   39   46   51   65   74   81   86   92   97  104  106 
LCS_GDT     E    42_C     E    42_C     16   20  114      3   11   15   16   17   19   20   26   34   39   46   51   70   76   82   87   93   97  105  106 
LCS_GDT     V    43_C     V    43_C      5   19  114      3    5   10   16   20   32   41   51   61   71   80   85   92   96  103  106  110  110  110  111 
LCS_GDT     A    44_C     A    44_C      5   19  114      3    4    5    8   25   32   45   52   64   78   83   90   98  102  106  109  110  110  110  111 
LCS_GDT     E    45_C     E    45_C      4  108  114      3    4    8   12   25   42   56   80   89  100  103  107  108  108  108  109  110  110  110  111 
LCS_GDT     L    46_C     L    46_C      4  108  114      3    4    9   46   72   85   97  103  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     V    47_C     V    47_C      4  108  114      5   20   59   98  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     M    48_C     M    48_C      4  108  114      3    4    7    9   67   81  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     P    49_C     P    49_C     51  108  114     26   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     R    50_C     R    50_C     51  108  114     28   65   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     V    51_C     V    51_C     51  108  114     24   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     V    52_C     V    52_C     51  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     K    53_C     K    53_C     51  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     S    54_C     S    54_C     51  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     N    55_C     N    55_C     51  108  114     28   62   90  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     D    56_C     D    56_C     51  108  114     28   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     V    57_C     V    57_C     51  108  114     28   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     R    58_C     R    58_C     51  108  114     28   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     E    59_C     E    59_C     51  108  114     20   61   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     P    60_C     P    60_C     51  108  114     20   51   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     F    61_C     F    61_C     51  108  114     16   51   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     N    62_C     N    62_C     51  108  114     20   51   88  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     E    63_C     E    63_C     75  108  114     20   57   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     E    64_C     E    64_C     75  108  114     28   62   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     K    65_C     K    65_C     76  108  114     28   60   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     L    66_C     L    66_C     76  108  114      5   51   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     R    67_C     R    67_C     79  108  114     15   65   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     S    68_C     S    68_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     G    69_C     G    69_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     M    70_C     M    70_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     L    71_C     L    71_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     R    72_C     R    72_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     A    73_C     A    73_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     L    74_C     L    74_C     80  108  114     27   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     E    75_C     E    75_C     80  108  114     26   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     K    76_C     K    76_C     80  108  114     15   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     R    77_C     R    77_C     80  108  114     25   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     P    78_C     P    78_C     80  108  114     18   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     V    79_C     V    79_C     80  108  114     10   61   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     S    80_C     S    80_C     80  108  114     18   58   90  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     S    81_C     S    81_C     80  108  114     18   54   88  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     D    82_C     D    82_C     80  108  114     18   57   88  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     D    83_C     D    83_C     80  108  114     18   58   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     V    84_C     V    84_C     80  108  114     18   64   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     E    85_C     E    85_C     80  108  114     18   64   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     M    86_C     M    86_C     80  108  114     18   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     A    87_C     A    87_C     80  108  114     18   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     I    88_C     I    88_C     80  108  114     21   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     N    89_C     N    89_C     80  108  114     21   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     H    90_C     H    90_C     80  108  114     18   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     I    91_C     I    91_C     80  108  114     18   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     K    92_C     K    92_C     80  108  114     18   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     S    93_C     S    93_C     80  108  114     18   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     Q    94_C     Q    94_C     80  108  114     18   61   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     L    95_C     L    95_C     80  108  114     20   56   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     R    96_C     R    96_C     80  108  114      8   53   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     A    97_C     A    97_C     80  108  114     18   61   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     T    98_C     T    98_C     80  108  114      9   42   84  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     G    99_C     G    99_C     80  108  114      6   41   84  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     E   100_C     E   100_C     80  108  114      9   23   74   98  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     R   101_C     R   101_C     80  108  114      3    3    8   90  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     E   102_C     E   102_C     80  108  114     18   61   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     V   103_C     V   103_C     80  108  114     18   53   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     P   104_C     P   104_C     80  108  114     22   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     S   105_C     S   105_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     K   106_C     K   106_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     M   107_C     M   107_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     I   108_C     I   108_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     G   109_C     G   109_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     N   110_C     N   110_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     L   111_C     L   111_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     V   112_C     V   112_C     80  108  114     28   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     M   113_C     M   113_C     80  108  114     26   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     E   114_C     E   114_C     80  108  114     25   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     Q   115_C     Q   115_C     80  108  114      8   62   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     L   116_C     L   116_C     80  108  114     25   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     K   117_C     K   117_C     80  108  114     28   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     K   118_C     K   118_C     80  108  114     26   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     L   119_C     L   119_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     D   120_C     D   120_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     K   121_C     K   121_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     V   122_C     V   122_C     80  108  114     27   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     A   123_C     A   123_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     Y   124_C     Y   124_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     I   125_C     I   125_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     R   126_C     R   126_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     F   127_C     F   127_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     A   128_C     A   128_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     S   129_C     S   129_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     V   130_C     V   130_C     80  108  114     28   65   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     Y   131_C     Y   131_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     R   132_C     R   132_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     S   133_C     S   133_C     80  108  114     14   64   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     F   134_C     F   134_C     80  108  114     18   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     E   135_C     E   135_C     80  108  114     20   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     D   136_C     D   136_C     80  108  114     22   65   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     I   137_C     I   137_C     80  108  114     15   64   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     K   138_C     K   138_C     80  108  114     12   65   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     D   139_C     D   139_C     80  108  114     27   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     F   140_C     F   140_C     80  108  114     27   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     G   141_C     G   141_C     80  108  114     25   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     E   142_C     E   142_C     80  108  114     27   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     E   143_C     E   143_C     80  108  114     28   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     I   144_C     I   144_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     A   145_C     A   145_C     80  108  114     27   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     R   146_C     R   146_C     80  108  114     12   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     L   147_C     L   147_C     80  108  114      9   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     E   148_C     E   148_C     80  108  114     30   66   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     D   149_C     D   149_C     52  108  114      4   60   90  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     H   150_C     H   150_C     52  108  114      7   65   91  100  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     H   151_C     H   151_C     52  108  114      7   51   85   98  103  104  104  105  106  106  106  107  108  108  108  109  110  110  110  111 
LCS_GDT     H   152_C     H   152_C      4  108  114      4    4    4    8    9   13   14   16   21   57   80  102  108  108  108  109  110  110  110  111 
LCS_GDT     H   153_C     H   153_C      4  108  114      4    4    4    8   10   13   14   16   21   23   27   30   34   73  102  109  110  110  110  111 
LCS_AVERAGE  LCS_A:  49.77  (  35.07   53.18   61.05 )

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     30     66     91    100    103    104    104    105    106    106    106    107    108    108    108    109    110    110    110    111 
GDT PERCENT_AT  19.61  43.14  59.48  65.36  67.32  67.97  67.97  68.63  69.28  69.28  69.28  69.93  70.59  70.59  70.59  71.24  71.90  71.90  71.90  72.55
GDT RMS_LOCAL    0.35   0.67   0.89   1.02   1.10   1.13   1.13   1.20   1.34   1.34   1.34   1.63   1.81   1.81   1.81   2.28   2.45   2.45   2.45   2.90
GDT RMS_ALL_AT  25.89  25.41  25.68  25.71  25.76  25.79  25.79  25.81  25.68  25.68  25.68  25.44  25.39  25.39  25.39  25.02  25.05  25.05  25.05  24.61

# Checking swapping
#   possible swapping detected:  F     5_C      F     5_C
#   possible swapping detected:  D    10_C      D    10_C
#   possible swapping detected:  E    36_C      E    36_C
#   possible swapping detected:  F    38_C      F    38_C
#   possible swapping detected:  F    41_C      F    41_C
#   possible swapping detected:  E    42_C      E    42_C
#   possible swapping detected:  E    45_C      E    45_C
#   possible swapping detected:  D    56_C      D    56_C
#   possible swapping detected:  E    59_C      E    59_C
#   possible swapping detected:  E    63_C      E    63_C
#   possible swapping detected:  E    64_C      E    64_C
#   possible swapping detected:  E    75_C      E    75_C
#   possible swapping detected:  D    83_C      D    83_C
#   possible swapping detected:  E    85_C      E    85_C
#   possible swapping detected:  D   120_C      D   120_C
#   possible swapping detected:  Y   131_C      Y   131_C
#   possible swapping detected:  D   136_C      D   136_C
#   possible swapping detected:  E   142_C      E   142_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_C      M     1_C    63.733     0    0.519   0.853    65.917    0.000    0.000
LGA    H     2_C      H     2_C    60.382     0    0.653   1.235    61.996    0.000    0.000
LGA    C     3_C      C     3_C    59.573     0    0.050   0.806    60.730    0.000    0.000
LGA    P     4_C      P     4_C    59.975     0    0.109   0.100    60.725    0.000    0.000
LGA    F     5_C      F     5_C    59.944     0    0.227   1.274    60.282    0.000    0.000
LGA    C     6_C      C     6_C    61.058     0    0.028   0.098    62.408    0.000    0.000
LGA    F     7_C      F     7_C    62.660     0    0.131   0.246    64.344    0.000    0.000
LGA    A     8_C      A     8_C    62.334     0    0.076   0.105    62.334    0.000    0.000
LGA    V     9_C      V     9_C    62.534     0    0.559   0.580    65.389    0.000    0.000
LGA    D    10_C      D    10_C    61.744     0    0.032   1.020    67.120    0.000    0.000
LGA    T    11_C      T    11_C    56.935     0    0.036   0.204    58.198    0.000    0.000
LGA    K    12_C      K    12_C    56.633     0    0.126   0.604    67.188    0.000    0.000
LGA    V    13_C      V    13_C    51.296     0    0.037   0.083    53.230    0.000    0.000
LGA    I    14_C      I    14_C    50.169     0    0.610   0.548    52.838    0.000    0.000
LGA    D    15_C      D    15_C    44.499     0    0.053   0.595    46.071    0.000    0.000
LGA    S    16_C      S    16_C    40.296     0    0.248   0.346    41.788    0.000    0.000
LGA    R    17_C      R    17_C    35.360     0    0.050   1.608    38.665    0.000    0.000
LGA    L    18_C      L    18_C    31.884     0    0.087   0.921    35.237    0.000    0.000
LGA    V    19_C      V    19_C    27.301     0    0.027   0.070    28.901    0.000    0.000
LGA    G    20_C      G    20_C    22.603     0    0.272   0.272    24.373    0.000    0.000
LGA    E    21_C      E    21_C    28.839     0    0.265   0.560    30.902    0.000    0.000
LGA    G    22_C      G    22_C    31.244     0    0.000   0.000    32.407    0.000    0.000
LGA    S    23_C      S    23_C    29.803     0    0.677   0.614    30.023    0.000    0.000
LGA    S    24_C      S    24_C    30.166     0    0.081   0.641    33.666    0.000    0.000
LGA    V    25_C      V    25_C    33.410     0    0.211   1.156    34.137    0.000    0.000
LGA    R    26_C      R    26_C    35.748     0    0.050   1.197    41.012    0.000    0.000
LGA    R    27_C      R    27_C    37.657     0    0.106   1.497    39.166    0.000    0.000
LGA    R    28_C      R    28_C    43.043     0    0.062   0.480    49.538    0.000    0.000
LGA    R    29_C      R    29_C    45.503     0    0.053   1.072    48.159    0.000    0.000
LGA    Q    30_C      Q    30_C    51.968     0    0.058   1.206    58.960    0.000    0.000
LGA    C    31_C      C    31_C    54.925     0    0.053   0.079    58.621    0.000    0.000
LGA    L    32_C      L    32_C    59.942     0    0.067   1.446    64.259    0.000    0.000
LGA    V    33_C      V    33_C    64.605     0    0.011   0.369    67.829    0.000    0.000
LGA    C    34_C      C    34_C    63.404     0    0.067   0.625    63.742    0.000    0.000
LGA    N    35_C      N    35_C    61.634     0    0.131   0.127    68.326    0.000    0.000
LGA    E    36_C      E    36_C    56.420     0    0.095   0.958    58.307    0.000    0.000
LGA    R    37_C      R    37_C    51.216     0    0.027   0.917    60.613    0.000    0.000
LGA    F    38_C      F    38_C    44.207     0    0.074   1.200    48.634    0.000    0.000
LGA    T    39_C      T    39_C    38.332     0    0.134   0.945    40.114    0.000    0.000
LGA    T    40_C      T    40_C    33.712     0    0.046   0.472    35.340    0.000    0.000
LGA    F    41_C      F    41_C    27.364     0    0.248   1.294    29.563    0.000    0.000
LGA    E    42_C      E    42_C    25.281     0    0.135   1.049    30.822    0.000    0.000
LGA    V    43_C      V    43_C    18.544     0    0.066   0.351    20.874    0.000    0.000
LGA    A    44_C      A    44_C    15.666     0    0.050   0.057    16.532    0.000    0.000
LGA    E    45_C      E    45_C    10.159     0    0.093   1.181    12.896    0.833    0.423
LGA    L    46_C      L    46_C     6.269     0    0.613   1.412    10.937   18.929   11.310
LGA    V    47_C      V    47_C     2.352     0    0.099   1.133     5.248   64.762   57.075
LGA    M    48_C      M    48_C     4.327     0    0.082   0.234    10.430   45.357   24.762
LGA    P    49_C      P    49_C     0.598     0    0.193   0.313     3.633   90.595   73.265
LGA    R    50_C      R    50_C     0.541     0    0.077   1.361     5.196   90.476   77.576
LGA    V    51_C      V    51_C     0.466     0    0.027   1.150     3.004  100.000   88.844
LGA    V    52_C      V    52_C     0.497     0    0.061   0.115     1.211   95.238   90.612
LGA    K    53_C      K    53_C     0.706     0    0.041   0.557     1.770   90.476   88.519
LGA    S    54_C      S    54_C     1.090     0    0.065   0.075     1.801   81.548   84.524
LGA    N    55_C      N    55_C     1.775     0    0.039   1.024     3.227   75.000   67.083
LGA    D    56_C      D    56_C     1.407     0    0.073   0.470     1.800   81.429   80.357
LGA    V    57_C      V    57_C     1.190     0    0.068   0.090     1.815   88.333   84.150
LGA    R    58_C      R    58_C     0.935     0    0.101   1.214     5.561   81.548   73.160
LGA    E    59_C      E    59_C     1.198     0    0.015   0.589     1.549   85.952   88.624
LGA    P    60_C      P    60_C     1.527     0    0.054   0.056     1.915   79.286   76.531
LGA    F    61_C      F    61_C     1.523     0    0.096   0.262     2.789   68.929   65.628
LGA    N    62_C      N    62_C     1.792     0    0.115   0.874     3.392   72.857   65.179
LGA    E    63_C      E    63_C     1.473     0    0.112   0.736     4.072   79.286   65.873
LGA    E    64_C      E    64_C     1.315     0    0.069   0.560     3.107   83.690   72.540
LGA    K    65_C      K    65_C     1.398     0    0.068   0.791     2.492   81.429   75.820
LGA    L    66_C      L    66_C     1.409     0    0.011   1.387     3.207   81.429   76.488
LGA    R    67_C      R    67_C     1.017     0    0.061   1.265     5.478   85.952   71.385
LGA    S    68_C      S    68_C     0.752     0    0.027   0.290     0.927   92.857   93.651
LGA    G    69_C      G    69_C     0.686     0    0.068   0.068     0.686   95.238   95.238
LGA    M    70_C      M    70_C     0.518     0    0.034   0.895     3.954   95.238   85.833
LGA    L    71_C      L    71_C     0.391     0    0.085   0.239     1.245  100.000   96.488
LGA    R    72_C      R    72_C     0.370     0    0.022   1.413     5.316  100.000   77.273
LGA    A    73_C      A    73_C     0.316     0    0.028   0.022     0.519  100.000   98.095
LGA    L    74_C      L    74_C     0.351     0    0.171   0.159     1.211   95.357   95.298
LGA    E    75_C      E    75_C     0.348     0    0.059   1.065     3.120   95.238   80.423
LGA    K    76_C      K    76_C     0.915     0    0.047   0.130     2.364   88.214   80.688
LGA    R    77_C      R    77_C     0.633     0    0.075   1.097     4.365   90.476   81.558
LGA    P    78_C      P    78_C     0.841     0    0.309   0.344     2.829   77.738   81.905
LGA    V    79_C      V    79_C     1.340     0    0.066   0.201     2.158   79.405   77.891
LGA    S    80_C      S    80_C     1.738     0    0.038   0.062     1.910   72.857   72.857
LGA    S    81_C      S    81_C     1.915     0    0.077   0.750     2.838   72.857   70.238
LGA    D    82_C      D    82_C     1.853     0    0.050   0.488     3.373   72.857   68.988
LGA    D    83_C      D    83_C     1.580     0    0.066   0.163     1.949   77.143   76.071
LGA    V    84_C      V    84_C     1.223     0    0.062   1.094     3.016   81.429   75.714
LGA    E    85_C      E    85_C     1.320     0    0.069   0.976     3.088   81.429   73.386
LGA    M    86_C      M    86_C     1.219     0    0.023   1.151     2.582   81.429   75.238
LGA    A    87_C      A    87_C     0.973     0    0.041   0.042     1.071   88.214   88.667
LGA    I    88_C      I    88_C     0.812     0    0.025   1.266     2.667   90.476   78.750
LGA    N    89_C      N    89_C     0.715     0    0.054   0.204     1.152   90.476   89.345
LGA    H    90_C      H    90_C     0.874     0    0.072   1.184     3.151   90.476   78.524
LGA    I    91_C      I    91_C     0.684     0    0.045   0.670     1.861   90.476   88.274
LGA    K    92_C      K    92_C     0.630     0    0.028   0.799     3.457   90.476   78.519
LGA    S    93_C      S    93_C     0.709     0    0.024   0.706     2.638   90.476   84.921
LGA    Q    94_C      Q    94_C     1.093     0    0.096   0.207     2.107   85.952   79.683
LGA    L    95_C      L    95_C     1.346     0    0.035   0.661     2.385   81.429   78.274
LGA    R    96_C      R    96_C     1.316     0    0.026   1.192     3.290   81.429   72.511
LGA    A    97_C      A    97_C     1.031     0    0.059   0.059     1.359   81.429   83.238
LGA    T    98_C      T    98_C     2.091     0    0.008   0.072     2.717   66.786   63.741
LGA    G    99_C      G    99_C     2.156     0    0.239   0.239     2.156   66.786   66.786
LGA    E   100_C      E   100_C     2.709     0    0.611   0.648     3.736   53.690   54.127
LGA    R   101_C      R   101_C     2.979     0    0.069   0.894     8.083   65.000   36.450
LGA    E   102_C      E   102_C     1.120     0    0.113   0.851     2.997   81.429   79.841
LGA    V   103_C      V   103_C     1.335     0    0.041   0.229     2.273   83.690   80.340
LGA    P   104_C      P   104_C     1.091     0    0.035   0.048     1.726   85.952   80.340
LGA    S   105_C      S   105_C     0.433     0    0.093   0.123     0.852   92.857   92.063
LGA    K   106_C      K   106_C     0.564     0    0.028   1.302     6.682   90.476   67.354
LGA    M   107_C      M   107_C     0.702     0    0.014   1.271     4.674   90.476   73.869
LGA    I   108_C      I   108_C     0.555     0    0.032   0.159     0.886   95.238   95.238
LGA    G   109_C      G   109_C     0.242     0    0.040   0.040     0.408  100.000  100.000
LGA    N   110_C      N   110_C     0.459     0    0.025   0.194     0.957   95.238   94.048
LGA    L   111_C      L   111_C     0.760     0    0.039   0.332     1.910   90.476   86.071
LGA    V   112_C      V   112_C     0.771     0    0.047   1.274     3.144   88.214   79.728
LGA    M   113_C      M   113_C     0.571     0    0.036   0.726     2.108   90.476   89.643
LGA    E   114_C      E   114_C     0.782     0    0.034   0.524     3.199   85.952   74.603
LGA    Q   115_C      Q   115_C     1.216     0    0.048   0.726     2.376   83.690   75.873
LGA    L   116_C      L   116_C     0.995     0    0.000   1.364     3.223   88.214   79.821
LGA    K   117_C      K   117_C     0.366     0    0.050   1.034     4.042  100.000   78.942
LGA    K   118_C      K   118_C     0.475     0    0.056   0.621     2.293  100.000   86.931
LGA    L   119_C      L   119_C     0.447     0    0.106   1.259     2.617   95.238   84.345
LGA    D   120_C      D   120_C     0.526     0    0.076   0.664     2.370   95.238   87.381
LGA    K   121_C      K   121_C     0.177     0    0.080   0.928     4.434   97.619   76.138
LGA    V   122_C      V   122_C     0.393     0    0.026   0.062     0.734  100.000   97.279
LGA    A   123_C      A   123_C     0.488     0    0.035   0.027     0.537  100.000   98.095
LGA    Y   124_C      Y   124_C     0.333     0    0.046   0.530     1.280  100.000   91.468
LGA    I   125_C      I   125_C     0.163     0    0.034   0.639     2.554  100.000   94.643
LGA    R   126_C      R   126_C     0.334     0    0.056   0.244     1.108   97.619   96.580
LGA    F   127_C      F   127_C     0.429     0    0.012   0.750     1.859   97.619   89.957
LGA    A   128_C      A   128_C     0.358     0    0.068   0.077     0.526   97.619   98.095
LGA    S   129_C      S   129_C     0.578     0    0.034   0.043     0.871   92.857   92.063
LGA    V   130_C      V   130_C     1.101     0    0.077   1.255     3.393   85.952   78.299
LGA    Y   131_C      Y   131_C     0.471     0    0.038   0.294     0.958   92.857   92.857
LGA    R   132_C      R   132_C     0.633     0    0.705   1.146     4.073   82.738   81.255
LGA    S   133_C      S   133_C     1.126     0    0.561   0.491     2.534   77.619   73.333
LGA    F   134_C      F   134_C     0.801     0    0.377   0.415     1.878   81.548   84.762
LGA    E   135_C      E   135_C     0.849     0    0.158   0.878     4.491   83.810   66.720
LGA    D   136_C      D   136_C     0.901     0    0.123   0.993     3.420   90.476   82.024
LGA    I   137_C      I   137_C     1.411     0    0.051   1.518     4.808   79.286   62.738
LGA    K   138_C      K   138_C     1.398     0    0.079   0.789     5.464   81.429   65.661
LGA    D   139_C      D   139_C     0.959     0    0.046   0.429     2.019   88.214   86.131
LGA    F   140_C      F   140_C     0.747     0    0.031   0.111     0.889   90.476   90.476
LGA    G   141_C      G   141_C     1.088     0    0.028   0.028     1.129   83.690   83.690
LGA    E   142_C      E   142_C     1.076     0    0.048   0.688     4.245   85.952   65.132
LGA    E   143_C      E   143_C     0.599     0    0.060   0.208     1.393   92.857   92.646
LGA    I   144_C      I   144_C     0.549     0    0.023   0.147     0.996   90.476   91.667
LGA    A   145_C      A   145_C     1.073     0    0.046   0.059     1.385   83.690   83.238
LGA    R   146_C      R   146_C     1.250     0    0.367   1.630     5.142   81.548   65.368
LGA    L   147_C      L   147_C     0.947     0    0.117   0.447     1.476   88.214   88.214
LGA    E   148_C      E   148_C     0.862     0    0.149   0.130     2.109   83.810   77.831
LGA    D   149_C      D   149_C     1.699     0    0.092   0.441     3.413   75.000   67.083
LGA    H   150_C      H   150_C     1.345     0    0.578   0.690     4.272   73.571   65.190
LGA    H   151_C      H   151_C     2.345     0    0.201   1.281     7.992   50.952   31.333
LGA    H   152_C      H   152_C     8.835     0    0.246   1.235    13.510    5.119    2.048
LGA    H   153_C      H   153_C    10.042     0    0.462   1.386    13.040    1.905    0.905

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      153     612    612  100.00    1242   1242  100.00               153
SUMMARY(RMSD_GDC):    15.324         15.321                 15.579           59.046   54.495

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  155  153    4.0    105    1.20    62.092    62.098     8.064

LGA_LOCAL      RMSD:   1.202  Number of atoms:  105  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  25.807  Number of assigned atoms:  153 
Std_ASGN_ATOMS RMSD:  15.324  Standard rmsd on all 153 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.936168 * X  +  -0.332447 * Y  +   0.114316 * Z  + -73.972702
  Y_new =  -0.349793 * X  +  -0.848366 * Y  +   0.397393 * Z  + 111.065613
  Z_new =  -0.035130 * X  +  -0.412013 * Y  +  -0.910500 * Z  + 170.768280 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.357580  0.035137 -2.716651   [DEG:  -20.4878    2.0132 -155.6526 ]
ZXZ:  2.861490  2.715289 -3.056534   [DEG:  163.9513  155.5746 -175.1265 ]
 
# END of job
