
#######################################################
#                                                     #
#                        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  132 ( 1072),  selected  132 , name one
# Molecule2: number of CA atoms  132 ( 1072),  selected  132 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   130       3_A - 132_A       4.61     5.67
  LCS_AVERAGE:     97.11

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123      10_A - 132_A       1.97     6.19
  LCS_AVERAGE:     87.16

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76      57_A - 132_A       0.97     6.20
  LCS_AVERAGE:     51.44

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  132
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     H     1_A     H     1_A      4    7   10      3    5    5    6    7    7    7    8    8    8    8    8   10   10   10   10   10   13   15   15 
LCS_GDT     H     2_A     H     2_A      4    7   10      3    5    5    6    7    7    7    8    8    8    8    9   10   13   14   16   17   19   21   21 
LCS_GDT     H     3_A     H     3_A      4    7  130      3    5    5    6    7    7    7    8    8    8    8    9   10   13   15   16   17   28   28   29 
LCS_GDT     H     4_A     H     4_A      4    7  130      3    5    5    6    7    7    7    8    8   11   13   17   18   20   22   28   46   50   54   77 
LCS_GDT     H     5_A     H     5_A      4    7  130      3    4    5    5    7    7    7    8   12   12   15   17   23   26   37   41   47   68   75   80 
LCS_GDT     H     6_A     H     6_A      4    7  130      3    5    5    6    7    7    9   11   16   20   25   34   34   47   52   65   73   79   82   92 
LCS_GDT     E     7_A     E     7_A      4    7  130      3    4    5    6    7    8   11   15   16   25   29   42   46   56   62   67   86  102  110  112 
LCS_GDT     N     8_A     N     8_A      4    5  130      3    4    4    5   16   22   29   39   46   51   83   97  117  123  124  125  125  125  125  125 
LCS_GDT     L     9_A     L     9_A      3    4  130      3    3    3    4    6    9   15   19   31   50   66   88  106  114  121  125  125  125  125  125 
LCS_GDT     Y    10_A     Y    10_A      3  123  130      3    3    3    5    8   17   25   39   46   64   96  108  114  123  124  125  125  125  125  125 
LCS_GDT     F    11_A     F    11_A      3  123  130      3    5   11   21   47   70   92  119  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     Q    12_A     Q    12_A     67  123  130      8   38   77  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     S    13_A     S    13_A     69  123  130      8   33   90  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     S    14_A     S    14_A     70  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     A    15_A     A    15_A     70  123  130     30   63   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     K    16_A     K    16_A     70  123  130     22   63   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     Q    17_A     Q    17_A     70  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     D    18_A     D    18_A     70  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     F    19_A     F    19_A     70  123  130     30   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     A    20_A     A    20_A     70  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     E    21_A     E    21_A     70  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     G    22_A     G    22_A     70  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     V    23_A     V    23_A     70  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     K    24_A     K    24_A     70  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     L    25_A     L    25_A     70  123  130     37   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     W    26_A     W    26_A     70  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     Q    27_A     Q    27_A     70  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     E    28_A     E    28_A     70  123  130     37   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     N    29_A     N    29_A     70  123  130     22   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     A    30_A     A    30_A     70  123  130     24   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     V    31_A     V    31_A     70  123  130     37   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     L    32_A     L    32_A     70  123  130     35   62   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     W    33_A     W    33_A     70  123  130     24   59   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     T    34_A     T    34_A     70  123  130     37   56   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     R    35_A     R    35_A     70  123  130     37   56   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     L    36_A     L    36_A     70  123  130     16   56   91  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     V    37_A     V    37_A     70  123  130     37   56   77  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     Q    38_A     Q    38_A     70  123  130     37   56   78  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     A    39_A     A    39_A     70  123  130     17   56   77  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     F    40_A     F    40_A     70  123  130     37   56   67   99  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     Q    41_A     Q    41_A     70  123  130     37   56   65   97  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     S    42_A     S    42_A     70  123  130     32   56   70  104  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     G    43_A     G    43_A     70  123  130     37   56   64   93  115  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     D    44_A     D    44_A     70  123  130     37   56   65   99  115  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     Q    45_A     Q    45_A     70  123  130     11   50   60   83  102  119  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     S    46_A     S    46_A     70  123  130     32   50   62   85  106  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     T    47_A     T    47_A     70  123  130     37   56   69  105  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     V    48_A     V    48_A     70  123  130     32   56   67  103  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     D    49_A     D    49_A     70  123  130     37   56   62   87  112  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     S    50_A     S    50_A     70  123  130     37   56   67   95  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     L    51_A     L    51_A     70  123  130     37   56   85  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     L    52_A     L    52_A     70  123  130     37   56   73  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     K    53_A     K    53_A     70  123  130     37   56   72  105  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     Q    54_A     Q    54_A     70  123  130     37   56   82  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     L    55_A     L    55_A     70  123  130     37   56   91  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     D    56_A     D    56_A     70  123  130     37   56   73  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     A    57_A     A    57_A     76  123  130     37   56   73  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     N    58_A     N    58_A     76  123  130     37   56   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     A    59_A     A    59_A     76  123  130     37   56   91  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     A    60_A     A    60_A     76  123  130     37   56   77  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     R    61_A     R    61_A     76  123  130     37   60   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     V    62_A     V    62_A     76  123  130     37   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     E    63_A     E    63_A     76  123  130     37   60   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     Q    64_A     Q    64_A     76  123  130     37   63   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     L    65_A     L    65_A     76  123  130     37   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     L    66_A     L    66_A     76  123  130     37   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     Q    67_A     Q    67_A     76  123  130     37   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     R    68_A     R    68_A     76  123  130     37   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     I    69_A     I    69_A     76  123  130     37   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     I    70_A     I    70_A     76  123  130     37   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     S    71_A     S    71_A     76  123  130     37   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     E    72_A     E    72_A     76  123  130     37   56   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     T    73_A     T    73_A     76  123  130     37   56   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     G    74_A     G    74_A     76  123  130     12   61   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     D    75_A     D    75_A     76  123  130     16   55   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     E    76_A     E    76_A     76  123  130     16   55   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     L    77_A     L    77_A     76  123  130     18   61   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     A    78_A     A    78_A     76  123  130     16   61   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     R    79_A     R    79_A     76  123  130     16   61   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     K    80_A     K    80_A     76  123  130     16   61   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     G    81_A     G    81_A     76  123  130     16   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     E    82_A     E    82_A     76  123  130     16   61   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     S    83_A     S    83_A     76  123  130     15   52   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     L    84_A     L    84_A     76  123  130     20   55   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     F    85_A     F    85_A     76  123  130     20   55   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     Q    86_A     Q    86_A     76  123  130     20   61   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     R    87_A     R    87_A     76  123  130     20   59   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     N    88_A     N    88_A     76  123  130     20   61   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     Q    89_A     Q    89_A     76  123  130     20   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     Q    90_A     Q    90_A     76  123  130     20   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     L    91_A     L    91_A     76  123  130     20   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     F    92_A     F    92_A     76  123  130     20   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     S    93_A     S    93_A     76  123  130     15   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     Q    94_A     Q    94_A     76  123  130     20   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     L    95_A     L    95_A     76  123  130     22   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     K    96_A     K    96_A     76  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     T    97_A     T    97_A     76  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     L    98_A     L    98_A     76  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     F    99_A     F    99_A     76  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     S   100_A     S   100_A     76  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     Q   101_A     Q   101_A     76  123  130     20   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     G   102_A     G   102_A     76  123  130     14   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     D   103_A     D   103_A     76  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     E   104_A     E   104_A     76  123  130     14   64   92  106  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     D   105_A     D   105_A     76  123  130     20   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     T   106_A     T   106_A     76  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     A   107_A     A   107_A     76  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     K   108_A     K   108_A     76  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     A   109_A     A   109_A     76  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     V   110_A     V   110_A     76  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     L   111_A     L   111_A     76  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     E   112_A     E   112_A     76  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     E   113_A     E   113_A     76  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     I   114_A     I   114_A     76  123  130     17   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     Q   115_A     Q   115_A     76  123  130     18   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     S   116_A     S   116_A     76  123  130     27   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     N   117_A     N   117_A     76  123  130     18   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     L   118_A     L   118_A     76  123  130     18   59   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     N   119_A     N   119_A     76  123  130     18   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     Q   120_A     Q   120_A     76  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     I   121_A     I   121_A     76  123  130     18   61   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     Q   122_A     Q   122_A     76  123  130     18   48   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     Q   123_A     Q   123_A     76  123  130     22   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     I   124_A     I   124_A     76  123  130     18   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     I   125_A     I   125_A     76  123  130     18   48   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     T   126_A     T   126_A     76  123  130     18   52   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     E   127_A     E   127_A     76  123  130     31   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     A   128_A     A   128_A     76  123  130     16   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     Q   129_A     Q   129_A     76  123  130     16   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     K   130_A     K   130_A     76  123  130     14   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     R   131_A     R   131_A     76  123  130     30   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_GDT     L   132_A     L   132_A     76  123  130      3   64   92  108  116  120  121  121  122  122  122  122  122  123  124  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  78.57  (  51.44   87.16   97.11 )

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     37     64     92    108    116    120    121    121    122    122    122    122    122    123    124    125    125    125    125    125 
GDT PERCENT_AT  28.03  48.48  69.70  81.82  87.88  90.91  91.67  91.67  92.42  92.42  92.42  92.42  92.42  93.18  93.94  94.70  94.70  94.70  94.70  94.70
GDT RMS_LOCAL    0.33   0.67   0.90   1.19   1.38   1.50   1.54   1.54   1.68   1.68   1.68   1.68   1.68   1.97   2.28   2.50   2.50   2.50   2.50   2.50
GDT RMS_ALL_AT   7.46   6.26   6.25   6.24   6.26   6.29   6.30   6.30   6.24   6.24   6.24   6.24   6.24   6.19   6.10   6.06   6.06   6.06   6.06   6.06

# Checking swapping
#   possible swapping detected:  F    11_A      F    11_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  E    63_A      E    63_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  F    99_A      F    99_A
#   possible swapping detected:  E   104_A      E   104_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  E   113_A      E   113_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H     1_A      H     1_A    31.326     0    0.107   0.912    34.952    0.000    0.000
LGA    H     2_A      H     2_A    28.150     0    0.101   0.412    32.238    0.000    0.000
LGA    H     3_A      H     3_A    25.051     0    0.210   0.343    26.903    0.000    0.000
LGA    H     4_A      H     4_A    23.150     0    0.425   0.426    24.488    0.000    0.000
LGA    H     5_A      H     5_A    22.644     0    0.265   0.299    25.228    0.000    0.000
LGA    H     6_A      H     6_A    22.290     0    0.186   1.455    27.644    0.000    0.000
LGA    E     7_A      E     7_A    20.806     0    0.672   1.163    26.108    0.000    0.000
LGA    N     8_A      N     8_A    14.026     0    0.477   0.387    16.702    0.000    0.119
LGA    L     9_A      L     9_A    13.025     0    0.682   0.736    16.974    0.000    0.000
LGA    Y    10_A      Y    10_A    11.909     0    0.393   1.293    22.570    0.119    0.040
LGA    F    11_A      F    11_A     7.727     0    0.627   0.480    15.736   15.238    5.801
LGA    Q    12_A      Q    12_A     2.189     0    0.657   1.247     6.547   57.857   38.995
LGA    S    13_A      S    13_A     1.883     0    0.050   0.593     3.199   77.143   70.556
LGA    S    14_A      S    14_A     0.887     0    0.140   0.193     1.429   85.952   87.460
LGA    A    15_A      A    15_A     1.012     0    0.041   0.055     1.230   83.690   83.238
LGA    K    16_A      K    16_A     1.193     0    0.025   0.734     3.066   81.429   77.937
LGA    Q    17_A      Q    17_A     1.075     0    0.027   1.400     4.168   83.690   71.958
LGA    D    18_A      D    18_A     0.875     0    0.040   0.071     0.952   90.476   90.476
LGA    F    19_A      F    19_A     0.951     0    0.027   1.245     5.558   88.214   69.394
LGA    A    20_A      A    20_A     0.947     0    0.020   0.021     1.003   88.214   86.857
LGA    E    21_A      E    21_A     0.969     0    0.055   0.969     3.064   88.214   75.397
LGA    G    22_A      G    22_A     0.881     0    0.029   0.029     0.889   90.476   90.476
LGA    V    23_A      V    23_A     0.930     0    0.049   0.111     1.070   88.214   87.891
LGA    K    24_A      K    24_A     0.761     0    0.071   0.618     2.844   90.476   83.069
LGA    L    25_A      L    25_A     0.668     0    0.015   0.037     0.757   90.476   90.476
LGA    W    26_A      W    26_A     0.725     0    0.046   1.632     6.576   90.476   67.381
LGA    Q    27_A      Q    27_A     0.934     0    0.008   0.097     1.897   90.476   82.593
LGA    E    28_A      E    28_A     0.768     0    0.034   0.237     1.372   90.476   86.455
LGA    N    29_A      N    29_A     0.297     0    0.036   0.109     0.454  100.000  100.000
LGA    A    30_A      A    30_A     0.676     0    0.023   0.028     0.881   90.476   90.476
LGA    V    31_A      V    31_A     0.714     0    0.009   0.035     1.113   90.476   89.184
LGA    L    32_A      L    32_A     0.218     0    0.015   0.028     0.405  100.000  100.000
LGA    W    33_A      W    33_A     0.422     0    0.036   1.088     7.612   95.238   55.170
LGA    T    34_A      T    34_A     1.077     0    0.009   0.049     1.360   83.690   82.721
LGA    R    35_A      R    35_A     0.898     0    0.016   1.622     8.102   85.952   55.801
LGA    L    36_A      L    36_A     1.112     0    0.023   0.831     2.724   81.548   75.417
LGA    V    37_A      V    37_A     1.682     0    0.014   0.046     2.034   72.976   71.769
LGA    Q    38_A      Q    38_A     1.710     0    0.020   0.104     2.024   70.833   75.820
LGA    A    39_A      A    39_A     1.868     0    0.020   0.023     2.632   66.905   68.095
LGA    F    40_A      F    40_A     2.642     0    0.027   1.247     7.743   57.262   37.576
LGA    Q    41_A      Q    41_A     2.803     0    0.062   0.141     3.036   57.143   57.196
LGA    S    42_A      S    42_A     2.657     0    0.100   0.098     3.342   55.357   58.492
LGA    G    43_A      G    43_A     3.335     0    0.056   0.056     3.670   50.119   50.119
LGA    D    44_A      D    44_A     3.008     0    0.015   0.057     3.204   50.000   53.631
LGA    Q    45_A      Q    45_A     3.886     0    0.045   1.453     7.050   43.333   34.709
LGA    S    46_A      S    46_A     3.656     0    0.031   0.053     3.891   48.452   46.746
LGA    T    47_A      T    47_A     2.264     0    0.022   0.053     2.781   64.881   67.143
LGA    V    48_A      V    48_A     2.485     0    0.052   0.082     3.301   60.952   58.299
LGA    D    49_A      D    49_A     3.253     0    0.028   0.055     4.621   51.786   44.524
LGA    S    50_A      S    50_A     2.614     0    0.017   0.661     4.295   60.952   56.349
LGA    L    51_A      L    51_A     1.524     0    0.044   0.063     1.913   75.000   78.214
LGA    L    52_A      L    52_A     1.978     0    0.060   0.099     2.981   70.833   64.940
LGA    K    53_A      K    53_A     2.163     0    0.029   0.099     2.938   66.786   62.275
LGA    Q    54_A      Q    54_A     1.587     0    0.027   0.697     2.441   77.143   74.815
LGA    L    55_A      L    55_A     1.176     0    0.031   0.084     1.394   81.429   83.690
LGA    D    56_A      D    56_A     1.956     0    0.026   0.858     3.778   72.857   64.226
LGA    A    57_A      A    57_A     1.924     0    0.028   0.027     1.991   72.857   72.857
LGA    N    58_A      N    58_A     1.141     0    0.016   0.105     1.404   81.429   81.429
LGA    A    59_A      A    59_A     1.312     0    0.078   0.093     1.606   79.286   78.000
LGA    A    60_A      A    60_A     1.746     0    0.027   0.027     2.087   75.000   72.952
LGA    R    61_A      R    61_A     1.107     0    0.020   0.258     2.934   85.952   76.277
LGA    V    62_A      V    62_A     0.756     0    0.011   0.067     1.241   90.476   89.184
LGA    E    63_A      E    63_A     1.049     0    0.019   0.580     2.153   83.690   79.630
LGA    Q    64_A      Q    64_A     1.203     0    0.015   0.185     2.003   81.429   76.720
LGA    L    65_A      L    65_A     0.781     0    0.041   0.073     1.146   90.476   89.345
LGA    L    66_A      L    66_A     0.755     0    0.057   0.113     1.251   90.476   88.214
LGA    Q    67_A      Q    67_A     0.831     0    0.032   0.079     1.200   90.476   86.455
LGA    R    68_A      R    68_A     0.614     0    0.071   1.437     4.503   90.476   76.190
LGA    I    69_A      I    69_A     0.719     0    0.033   0.084     1.040   90.476   89.345
LGA    I    70_A      I    70_A     0.921     0    0.010   0.034     1.161   90.476   87.083
LGA    S    71_A      S    71_A     0.664     0    0.051   0.682     1.702   90.476   87.540
LGA    E    72_A      E    72_A     0.876     0    0.072   0.281     1.446   90.476   85.450
LGA    T    73_A      T    73_A     1.065     0    0.167   1.122     3.742   85.952   77.347
LGA    G    74_A      G    74_A     1.144     0    0.100   0.100     1.631   79.286   79.286
LGA    D    75_A      D    75_A     1.580     0    0.044   0.608     3.240   79.286   74.286
LGA    E    76_A      E    76_A     1.447     0    0.023   1.069     4.568   81.429   69.683
LGA    L    77_A      L    77_A     1.384     0    0.069   0.133     1.568   79.286   80.357
LGA    A    78_A      A    78_A     1.345     0    0.045   0.061     1.359   81.429   81.429
LGA    R    79_A      R    79_A     1.309     0    0.035   1.429     7.516   81.429   56.883
LGA    K    80_A      K    80_A     1.350     0    0.034   0.810     3.789   81.429   71.058
LGA    G    81_A      G    81_A     1.315     0    0.058   0.058     1.339   81.429   81.429
LGA    E    82_A      E    82_A     1.389     0    0.013   0.406     1.997   77.143   79.577
LGA    S    83_A      S    83_A     1.670     0    0.072   0.666     3.298   72.857   69.048
LGA    L    84_A      L    84_A     1.824     0    0.009   0.056     2.010   72.857   71.845
LGA    F    85_A      F    85_A     1.690     0    0.059   1.289     6.008   72.857   57.056
LGA    Q    86_A      Q    86_A     1.359     0    0.044   0.173     1.732   81.429   80.476
LGA    R    87_A      R    87_A     1.587     0    0.007   1.018     6.534   72.857   55.758
LGA    N    88_A      N    88_A     1.645     0    0.018   0.674     1.821   72.857   78.333
LGA    Q    89_A      Q    89_A     1.318     0    0.033   0.252     1.457   81.429   82.434
LGA    Q    90_A      Q    90_A     1.331     0    0.047   0.068     1.464   81.429   81.429
LGA    L    91_A      L    91_A     1.635     0    0.061   0.078     1.675   72.857   72.857
LGA    F    92_A      F    92_A     1.637     0    0.014   1.011     4.594   72.857   63.117
LGA    S    93_A      S    93_A     1.379     0    0.073   0.680     1.484   81.429   81.429
LGA    Q    94_A      Q    94_A     1.237     0    0.039   0.893     3.654   83.690   71.270
LGA    L    95_A      L    95_A     1.612     0    0.026   1.383     3.055   75.000   72.262
LGA    K    96_A      K    96_A     1.513     0    0.038   0.784     5.683   79.286   60.688
LGA    T    97_A      T    97_A     1.304     0    0.019   0.074     1.373   81.429   82.721
LGA    L    98_A      L    98_A     1.449     0    0.030   0.059     1.589   77.143   79.286
LGA    F    99_A      F    99_A     1.708     0    0.064   0.089     2.030   70.833   73.680
LGA    S   100_A      S   100_A     1.745     0    0.104   0.729     2.606   72.857   70.238
LGA    Q   101_A      Q   101_A     1.858     0    0.129   0.271     2.427   68.810   76.878
LGA    G   102_A      G   102_A     2.099     0    0.066   0.066     2.157   66.786   66.786
LGA    D   103_A      D   103_A     1.774     0    0.027   0.163     1.891   72.857   76.071
LGA    E   104_A      E   104_A     2.239     0    0.073   0.091     3.426   66.786   59.048
LGA    D   105_A      D   105_A     2.235     0    0.007   0.399     3.892   68.810   63.155
LGA    T   106_A      T   106_A     1.382     0    0.013   0.116     1.689   79.286   80.204
LGA    A   107_A      A   107_A     1.223     0    0.018   0.022     1.362   81.429   81.429
LGA    K   108_A      K   108_A     1.458     0    0.019   0.544     1.598   81.429   78.571
LGA    A   109_A      A   109_A     1.366     0    0.037   0.052     1.423   81.429   81.429
LGA    V   110_A      V   110_A     1.091     0    0.011   0.053     1.376   85.952   84.014
LGA    L   111_A      L   111_A     0.998     0    0.031   0.115     1.220   88.214   84.821
LGA    E   112_A      E   112_A     1.045     0    0.011   0.191     2.069   85.952   80.635
LGA    E   113_A      E   113_A     0.963     0    0.010   0.131     1.915   90.476   83.545
LGA    I   114_A      I   114_A     0.852     0    0.085   0.143     1.093   88.214   88.214
LGA    Q   115_A      Q   115_A     0.831     0    0.056   0.954     4.587   90.476   72.857
LGA    S   116_A      S   116_A     0.810     0    0.112   0.563     2.455   90.476   86.190
LGA    N   117_A      N   117_A     1.302     0    0.006   0.076     1.660   81.429   78.214
LGA    L   118_A      L   118_A     1.346     0    0.103   0.167     1.636   79.286   78.214
LGA    N   119_A      N   119_A     0.817     0    0.028   0.040     0.940   90.476   90.476
LGA    Q   120_A      Q   120_A     0.755     0    0.025   0.280     1.789   90.476   87.513
LGA    I   121_A      I   121_A     1.379     0    0.030   0.054     2.025   81.429   76.131
LGA    Q   122_A      Q   122_A     1.366     0    0.018   0.352     3.058   81.429   75.132
LGA    Q   123_A      Q   123_A     0.562     0    0.026   0.060     1.087   90.476   90.529
LGA    I   124_A      I   124_A     1.080     0    0.049   0.660     1.696   83.690   79.345
LGA    I   125_A      I   125_A     1.688     0    0.008   0.059     2.810   79.286   71.071
LGA    T   126_A      T   126_A     1.201     0    0.067   0.080     1.580   85.952   82.789
LGA    E   127_A      E   127_A     0.583     0    0.063   0.925     3.660   90.476   73.598
LGA    A   128_A      A   128_A     1.071     0    0.040   0.056     1.437   88.214   86.857
LGA    Q   129_A      Q   129_A     1.075     0    0.062   1.207     4.822   85.952   67.407
LGA    K   130_A      K   130_A     0.821     0    0.099   0.114     1.949   90.476   84.550
LGA    R   131_A      R   131_A     0.705     0    0.047   1.453     4.771   90.476   72.814
LGA    L   132_A      L   132_A     0.983     0    0.322   0.334     2.340   86.071   78.512

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      132     528    528  100.00    1072   1072  100.00               132
SUMMARY(RMSD_GDC):     5.622          5.508                  6.551           73.293   68.886

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  132    4.0    121    1.54    79.167    84.878     7.388

LGA_LOCAL      RMSD:   1.538  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.297  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   5.622  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.769707 * X  +  -0.238303 * Y  +  -0.592252 * Z  + -21.828125
  Y_new =  -0.635908 * X  +  -0.204345 * Y  +  -0.744221 * Z  +  12.225460
  Z_new =   0.056326 * X  +   0.949450 * Y  +  -0.308825 * Z  +  -9.164767 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.690495 -0.056356  1.885270   [DEG:  -39.5624   -3.2290  108.0180 ]
ZXZ: -0.672176  1.884753  0.059256   [DEG:  -38.5128  107.9884    3.3951 ]
 
# END of job
