
#######################################################
#                                                     #
#                        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:   132       1_A - 132_A       4.23     4.23
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123      10_A - 132_A       1.78     4.58
  LCS_AVERAGE:     87.02

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    64      12_A - 75_A        1.00     4.68
  LCS_AVERAGE:     36.66

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      3    3  132      0    3    3    3    3    3    4    4    7    8    9   10   13   14   15   16   19   19   19   21 
LCS_GDT     H     2_A     H     2_A      3    4  132      3    3    3    4    4    4    6    7    7    8    9   10   13   14   15   16   27   29   33   38 
LCS_GDT     H     3_A     H     3_A      3    4  132      3    3    3    4    5    6    6    7    7    8    9   11   14   21   30   34   50   68   92  121 
LCS_GDT     H     4_A     H     4_A      3    4  132      3    3    3    4    5    6    7   10   13   19   28   35   54   67   92  105  112  122  126  128 
LCS_GDT     H     5_A     H     5_A      4    4  132      3    3    4    4    6   12   19   28   38   48   71   82   94  102  117  126  126  126  128  128 
LCS_GDT     H     6_A     H     6_A      4    4  132      3    3    4    4    4    5    7   11   17   25   29   37   49   62   77   94  113  123  128  128 
LCS_GDT     E     7_A     E     7_A      4    4  132      3    3    4    4    4    5    8    9   14   18   27   37   46   74  102  115  123  126  128  128 
LCS_GDT     N     8_A     N     8_A      4    4  132      3    3    4    4    5    6   38   70   84  106  121  124  125  125  125  126  126  126  128  128 
LCS_GDT     L     9_A     L     9_A      3    3  132      3    3    4    4    4    6   11   19   44   75  104  118  125  125  125  126  126  126  128  128 
LCS_GDT     Y    10_A     Y    10_A      3  123  132      3    3    4    4    6   13   38   70   81  103  118  124  125  125  125  126  126  126  128  128 
LCS_GDT     F    11_A     F    11_A      3  123  132      3    7   27   43   61   78  108  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     Q    12_A     Q    12_A     64  123  132     19   35   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     S    13_A     S    13_A     64  123  132     10   38   81  112  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     S    14_A     S    14_A     64  123  132     20   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     A    15_A     A    15_A     64  123  132     19   43   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     K    16_A     K    16_A     64  123  132     18   35   82  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     Q    17_A     Q    17_A     64  123  132     19   50   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     D    18_A     D    18_A     64  123  132     19   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     F    19_A     F    19_A     64  123  132     19   47   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     A    20_A     A    20_A     64  123  132     19   44   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     E    21_A     E    21_A     64  123  132     17   55   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     G    22_A     G    22_A     64  123  132     14   47   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     V    23_A     V    23_A     64  123  132     18   50   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     K    24_A     K    24_A     64  123  132     19   54   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     L    25_A     L    25_A     64  123  132     23   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     W    26_A     W    26_A     64  123  132     19   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     Q    27_A     Q    27_A     64  123  132     19   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     E    28_A     E    28_A     64  123  132     24   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     N    29_A     N    29_A     64  123  132     24   54   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     A    30_A     A    30_A     64  123  132     24   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     V    31_A     V    31_A     64  123  132     24   47   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     L    32_A     L    32_A     64  123  132     24   44   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     W    33_A     W    33_A     64  123  132     24   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     T    34_A     T    34_A     64  123  132     24   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     R    35_A     R    35_A     64  123  132     24   52   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     L    36_A     L    36_A     64  123  132     24   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     V    37_A     V    37_A     64  123  132     24   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     Q    38_A     Q    38_A     64  123  132     24   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     A    39_A     A    39_A     64  123  132     24   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     F    40_A     F    40_A     64  123  132     20   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     Q    41_A     Q    41_A     64  123  132     17   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     S    42_A     S    42_A     64  123  132     13   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     G    43_A     G    43_A     64  123  132     24   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     D    44_A     D    44_A     64  123  132     27   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     Q    45_A     Q    45_A     64  123  132     27   45   87  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     S    46_A     S    46_A     64  123  132     27   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     T    47_A     T    47_A     64  123  132     27   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     V    48_A     V    48_A     64  123  132     27   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     D    49_A     D    49_A     64  123  132     27   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     S    50_A     S    50_A     64  123  132     27   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     L    51_A     L    51_A     64  123  132     27   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     L    52_A     L    52_A     64  123  132     27   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     K    53_A     K    53_A     64  123  132     27   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     Q    54_A     Q    54_A     64  123  132     27   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     L    55_A     L    55_A     64  123  132     27   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     D    56_A     D    56_A     64  123  132     27   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     A    57_A     A    57_A     64  123  132     27   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     N    58_A     N    58_A     64  123  132     27   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     A    59_A     A    59_A     64  123  132     27   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     A    60_A     A    60_A     64  123  132     27   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     R    61_A     R    61_A     64  123  132     27   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     V    62_A     V    62_A     64  123  132     27   54   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     E    63_A     E    63_A     64  123  132     27   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     Q    64_A     Q    64_A     64  123  132     27   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     L    65_A     L    65_A     64  123  132     27   54   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     L    66_A     L    66_A     64  123  132     27   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     Q    67_A     Q    67_A     64  123  132     27   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     R    68_A     R    68_A     64  123  132     27   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     I    69_A     I    69_A     64  123  132     27   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     I    70_A     I    70_A     64  123  132     27   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     S    71_A     S    71_A     64  123  132     25   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     E    72_A     E    72_A     64  123  132     16   53   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     T    73_A     T    73_A     64  123  132     21   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     G    74_A     G    74_A     64  123  132     24   47   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     D    75_A     D    75_A     64  123  132     11   37   69  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     E    76_A     E    76_A     63  123  132      9   38   71  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     L    77_A     L    77_A     61  123  132      8   38   85  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     A    78_A     A    78_A     55  123  132     15   38   76  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     R    79_A     R    79_A     40  123  132     15   38   72  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     K    80_A     K    80_A     40  123  132     15   38   82  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     G    81_A     G    81_A     40  123  132     15   38   81  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     E    82_A     E    82_A     40  123  132     15   39   85  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     S    83_A     S    83_A     40  123  132     15   38   75  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     L    84_A     L    84_A     40  123  132     15   32   67  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     F    85_A     F    85_A     40  123  132     15   38   76  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     Q    86_A     Q    86_A     40  123  132     15   42   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     R    87_A     R    87_A     40  123  132     15   38   84  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     N    88_A     N    88_A     40  123  132     15   33   60  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     Q    89_A     Q    89_A     40  123  132     19   35   83  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     Q    90_A     Q    90_A     40  123  132     15   37   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     L    91_A     L    91_A     40  123  132     15   35   84  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     F    92_A     F    92_A     40  123  132     15   35   60  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     S    93_A     S    93_A     40  123  132      9   25   59  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     Q    94_A     Q    94_A     40  123  132     11   43   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     L    95_A     L    95_A     40  123  132     11   35   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     K    96_A     K    96_A     40  123  132     10   25   54  111  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     T    97_A     T    97_A     40  123  132     10   27   63  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     L    98_A     L    98_A     40  123  132     10   38   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     F    99_A     F    99_A     40  123  132     10   33   80  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     S   100_A     S   100_A     40  123  132     10   26   57  113  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     Q   101_A     Q   101_A     40  123  132     10   31   63  113  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     G   102_A     G   102_A     40  123  132      9   41   80  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     D   103_A     D   103_A     40  123  132     15   41   87  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     E   104_A     E   104_A     40  123  132     10   47   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     D   105_A     D   105_A     40  123  132      7   26   75  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     T   106_A     T   106_A     40  123  132      7   25   68  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     A   107_A     A   107_A     40  123  132     23   56   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     K   108_A     K   108_A     40  123  132     15   47   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     A   109_A     A   109_A     40  123  132     15   47   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     V   110_A     V   110_A     40  123  132     15   49   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     L   111_A     L   111_A     40  123  132     23   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     E   112_A     E   112_A     40  123  132     24   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     E   113_A     E   113_A     40  123  132     24   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     I   114_A     I   114_A     40  123  132     24   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     Q   115_A     Q   115_A     40  123  132     24   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     S   116_A     S   116_A     35  123  132     24   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     N   117_A     N   117_A     35  123  132     11   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     L   118_A     L   118_A     35  123  132     18   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     N   119_A     N   119_A     35  123  132     24   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     Q   120_A     Q   120_A     35  123  132     16   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     I   121_A     I   121_A     35  123  132     11   43   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     Q   122_A     Q   122_A     35  123  132     24   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     Q   123_A     Q   123_A     35  123  132     24   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     I   124_A     I   124_A     35  123  132     11   54   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     I   125_A     I   125_A     35  123  132     11   45   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     T   126_A     T   126_A     35  123  132     24   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     E   127_A     E   127_A     35  123  132     24   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     A   128_A     A   128_A     35  123  132     24   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     Q   129_A     Q   129_A     35  123  132     11   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     K   130_A     K   130_A     35  123  132     11   54   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     R   131_A     R   131_A     35  123  132     15   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_GDT     L   132_A     L   132_A     35  123  132     24   60   89  114  121  121  121  122  122  122  122  124  125  125  125  126  126  126  128  128 
LCS_AVERAGE  LCS_A:  74.56  (  36.66   87.02  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     27     60     89    114    121    121    121    122    122    122    122    124    125    125    125    126    126    126    128    128 
GDT PERCENT_AT  20.45  45.45  67.42  86.36  91.67  91.67  91.67  92.42  92.42  92.42  92.42  93.94  94.70  94.70  94.70  95.45  95.45  95.45  96.97  96.97
GDT RMS_LOCAL    0.29   0.74   1.00   1.27   1.36   1.36   1.36   1.50   1.50   1.50   1.50   2.03   2.24   2.24   2.24   2.54   2.54   2.54   3.23   3.17
GDT RMS_ALL_AT   5.20   4.69   4.66   4.69   4.69   4.69   4.69   4.64   4.64   4.64   4.64   4.52   4.48   4.48   4.48   4.41   4.41   4.41   4.31   4.30

# Checking swapping
#   possible swapping detected:  F    11_A      F    11_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  F    40_A      F    40_A
#   possible swapping detected:  D    56_A      D    56_A
#   possible swapping detected:  E    63_A      E    63_A
#   possible swapping detected:  E    76_A      E    76_A
#   possible swapping detected:  F    85_A      F    85_A
#   possible swapping detected:  F    99_A      F    99_A
#   possible swapping detected:  E   104_A      E   104_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    19.282     0    0.065   1.156    24.604    0.000    0.000
LGA    H     2_A      H     2_A    18.368     0    0.628   0.530    21.750    0.000    0.000
LGA    H     3_A      H     3_A    17.232     0    0.545   0.477    21.511    0.000    0.000
LGA    H     4_A      H     4_A    16.105     0    0.366   1.163    17.109    0.000    0.000
LGA    H     5_A      H     5_A    14.811     0    0.599   1.040    17.668    0.000    0.000
LGA    H     6_A      H     6_A    18.839     0    0.138   1.169    26.897    0.000    0.000
LGA    E     7_A      E     7_A    18.170     0    0.579   0.836    21.898    0.000    0.000
LGA    N     8_A      N     8_A    11.721     0    0.559   0.890    14.094    0.000    1.845
LGA    L     9_A      L     9_A    11.833     0    0.607   0.638    16.147    0.000    0.000
LGA    Y    10_A      Y    10_A    10.897     0    0.460   1.363    19.456    0.714    0.238
LGA    F    11_A      F    11_A     7.066     0    0.610   0.532    14.566   18.095    7.229
LGA    Q    12_A      Q    12_A     1.561     0    0.630   1.063     5.721   67.143   47.566
LGA    S    13_A      S    13_A     2.122     0    0.102   0.557     2.755   70.833   66.270
LGA    S    14_A      S    14_A     0.849     0    0.112   0.197     1.230   92.976   90.635
LGA    A    15_A      A    15_A     1.032     0    0.031   0.030     1.553   83.690   81.524
LGA    K    16_A      K    16_A     1.890     0    0.030   1.102     5.457   72.857   60.847
LGA    Q    17_A      Q    17_A     1.232     0    0.040   0.205     2.085   85.952   79.683
LGA    D    18_A      D    18_A     0.317     0    0.039   0.195     0.916   92.857   94.048
LGA    F    19_A      F    19_A     1.103     0    0.051   1.243     5.217   83.690   68.528
LGA    A    20_A      A    20_A     1.412     0    0.030   0.033     1.540   81.429   79.714
LGA    E    21_A      E    21_A     0.866     0    0.027   0.848     3.846   88.214   75.291
LGA    G    22_A      G    22_A     0.955     0    0.064   0.064     0.955   90.476   90.476
LGA    V    23_A      V    23_A     1.259     0    0.010   0.039     1.455   81.429   81.429
LGA    K    24_A      K    24_A     1.034     0    0.039   0.662     2.449   85.952   79.735
LGA    L    25_A      L    25_A     0.474     0    0.025   0.058     0.672   97.619   97.619
LGA    W    26_A      W    26_A     0.609     0    0.016   0.122     1.136   90.476   89.184
LGA    Q    27_A      Q    27_A     0.950     0    0.035   0.047     2.199   90.476   80.741
LGA    E    28_A      E    28_A     0.945     0    0.010   0.684     2.250   88.214   80.741
LGA    N    29_A      N    29_A     0.781     0    0.047   0.808     2.934   90.476   80.893
LGA    A    30_A      A    30_A     0.673     0    0.029   0.030     0.982   90.476   90.476
LGA    V    31_A      V    31_A     1.042     0    0.022   0.039     1.258   88.214   85.306
LGA    L    32_A      L    32_A     0.956     0    0.027   1.257     2.927   90.476   82.976
LGA    W    33_A      W    33_A     0.370     0    0.067   0.174     1.267   97.619   92.619
LGA    T    34_A      T    34_A     0.709     0    0.017   0.084     1.075   90.476   89.184
LGA    R    35_A      R    35_A     0.884     0    0.027   1.250     6.849   90.476   59.654
LGA    L    36_A      L    36_A     0.449     0    0.033   0.197     0.801   97.619   96.429
LGA    V    37_A      V    37_A     0.364     0    0.046   0.057     0.701  100.000   95.918
LGA    Q    38_A      Q    38_A     0.619     0    0.019   0.211     1.284   90.476   89.471
LGA    A    39_A      A    39_A     0.392     0    0.028   0.031     0.474  100.000  100.000
LGA    F    40_A      F    40_A     0.481     0    0.020   0.066     0.716   95.238   95.671
LGA    Q    41_A      Q    41_A     0.709     0    0.024   0.044     1.250   90.595   90.529
LGA    S    42_A      S    42_A     1.038     0    0.097   0.101     1.639   81.548   81.508
LGA    G    43_A      G    43_A     1.428     0    0.061   0.061     2.162   75.119   75.119
LGA    D    44_A      D    44_A     1.437     0    0.016   0.092     1.897   79.286   77.143
LGA    Q    45_A      Q    45_A     1.847     0    0.079   1.455     3.737   72.857   66.878
LGA    S    46_A      S    46_A     1.334     0    0.036   0.084     1.556   79.286   80.000
LGA    T    47_A      T    47_A     1.444     0    0.021   0.073     1.479   81.429   81.429
LGA    V    48_A      V    48_A     1.562     0    0.018   0.051     1.702   75.000   74.082
LGA    D    49_A      D    49_A     1.448     0    0.009   0.040     1.699   81.429   78.214
LGA    S    50_A      S    50_A     1.181     0    0.029   0.065     1.264   81.429   81.429
LGA    L    51_A      L    51_A     1.361     0    0.021   0.119     1.627   81.429   80.357
LGA    L    52_A      L    52_A     1.446     0    0.050   0.159     1.511   79.286   80.357
LGA    K    53_A      K    53_A     1.386     0    0.024   0.070     1.447   81.429   81.429
LGA    Q    54_A      Q    54_A     1.392     0    0.031   1.353     3.652   81.429   71.852
LGA    L    55_A      L    55_A     1.237     0    0.030   0.917     2.734   81.429   78.393
LGA    D    56_A      D    56_A     1.156     0    0.025   0.179     1.393   81.429   81.429
LGA    A    57_A      A    57_A     1.275     0    0.020   0.020     1.335   81.429   81.429
LGA    N    58_A      N    58_A     1.251     0    0.027   0.201     1.479   81.429   81.429
LGA    A    59_A      A    59_A     1.345     0    0.034   0.038     1.422   81.429   81.429
LGA    A    60_A      A    60_A     1.352     0    0.015   0.019     1.403   81.429   81.429
LGA    R    61_A      R    61_A     1.175     0    0.028   0.964     2.569   81.429   82.684
LGA    V    62_A      V    62_A     1.608     0    0.037   0.049     1.806   75.000   74.082
LGA    E    63_A      E    63_A     1.384     0    0.028   1.041     3.671   81.429   72.646
LGA    Q    64_A      Q    64_A     1.352     0    0.035   1.466     4.185   81.429   68.624
LGA    L    65_A      L    65_A     1.409     0    0.046   0.075     1.464   81.429   81.429
LGA    L    66_A      L    66_A     1.464     0    0.049   0.102     1.475   81.429   81.429
LGA    Q    67_A      Q    67_A     1.309     0    0.051   0.325     1.729   81.429   81.481
LGA    R    68_A      R    68_A     1.293     0    0.042   0.996     3.242   81.429   73.290
LGA    I    69_A      I    69_A     1.330     0    0.036   0.080     1.610   81.429   79.286
LGA    I    70_A      I    70_A     1.169     0    0.029   0.097     1.252   81.429   82.560
LGA    S    71_A      S    71_A     1.080     0    0.029   0.064     1.140   81.429   84.444
LGA    E    72_A      E    72_A     1.372     0    0.130   0.187     2.293   81.429   73.968
LGA    T    73_A      T    73_A     1.041     0    0.102   1.073     3.548   85.952   78.571
LGA    G    74_A      G    74_A     1.216     0    0.061   0.061     1.772   77.143   77.143
LGA    D    75_A      D    75_A     2.126     0    0.106   0.895     4.223   66.786   58.631
LGA    E    76_A      E    76_A     2.137     0    0.099   1.308     5.595   68.810   54.974
LGA    L    77_A      L    77_A     1.789     0    0.047   0.046     1.934   72.857   75.000
LGA    A    78_A      A    78_A     1.944     0    0.025   0.024     2.066   72.857   71.238
LGA    R    79_A      R    79_A     1.950     0    0.014   1.528     8.451   72.857   49.134
LGA    K    80_A      K    80_A     1.709     0    0.029   1.309     6.206   72.857   60.952
LGA    G    81_A      G    81_A     1.684     0    0.035   0.035     1.686   72.857   72.857
LGA    E    82_A      E    82_A     1.673     0    0.047   0.736     2.964   72.857   69.312
LGA    S    83_A      S    83_A     1.940     0    0.035   0.653     3.324   72.857   69.048
LGA    L    84_A      L    84_A     2.080     0    0.037   0.050     2.253   64.762   64.762
LGA    F    85_A      F    85_A     1.923     0    0.025   0.188     1.990   72.857   72.857
LGA    Q    86_A      Q    86_A     1.536     0    0.023   1.314     4.330   72.857   65.503
LGA    R    87_A      R    87_A     1.807     0    0.016   1.460     9.316   72.857   41.818
LGA    N    88_A      N    88_A     2.130     0    0.020   0.852     2.283   64.762   72.143
LGA    Q    89_A      Q    89_A     1.874     0    0.026   1.586     4.627   72.857   65.608
LGA    Q    90_A      Q    90_A     1.608     0    0.014   0.158     1.743   72.857   77.672
LGA    L    91_A      L    91_A     1.845     0    0.153   0.159     1.924   72.857   72.857
LGA    F    92_A      F    92_A     2.150     0    0.031   1.316     3.859   64.762   65.584
LGA    S    93_A      S    93_A     2.017     0    0.077   0.656     2.622   68.810   66.190
LGA    Q    94_A      Q    94_A     1.095     0    0.075   1.399     5.026   81.429   65.185
LGA    L    95_A      L    95_A     1.505     0    0.011   1.420     2.882   75.000   72.024
LGA    K    96_A      K    96_A     2.260     0    0.011   0.035     3.880   66.786   57.566
LGA    T    97_A      T    97_A     2.059     0    0.015   1.036     4.379   66.786   63.129
LGA    L    98_A      L    98_A     1.410     0    0.037   1.280     3.228   75.000   72.381
LGA    F    99_A      F    99_A     1.639     0    0.084   0.175     1.926   72.857   79.177
LGA    S   100_A      S   100_A     2.585     0    0.029   0.067     2.931   59.048   58.413
LGA    Q   101_A      Q   101_A     2.521     0    0.129   0.960     5.563   62.857   50.899
LGA    G   102_A      G   102_A     1.821     0    0.134   0.134     2.096   68.810   68.810
LGA    D   103_A      D   103_A     1.563     0    0.120   0.176     2.510   77.143   71.012
LGA    E   104_A      E   104_A     1.022     0    0.092   0.469     2.828   81.429   71.429
LGA    D   105_A      D   105_A     1.977     0    0.014   0.060     2.416   68.810   66.786
LGA    T   106_A      T   106_A     2.179     0    0.057   0.168     2.537   68.810   65.986
LGA    A   107_A      A   107_A     0.926     0    0.057   0.057     1.359   88.214   88.667
LGA    K   108_A      K   108_A     1.062     0    0.019   0.591     2.687   85.952   79.788
LGA    A   109_A      A   109_A     1.261     0    0.081   0.088     1.504   83.690   81.524
LGA    V   110_A      V   110_A     0.852     0    0.028   0.062     1.073   90.595   89.252
LGA    L   111_A      L   111_A     0.861     0    0.038   1.418     3.125   90.476   79.940
LGA    E   112_A      E   112_A     0.760     0    0.033   0.081     1.149   90.476   89.471
LGA    E   113_A      E   113_A     0.426     0    0.018   0.856     2.878   97.619   79.894
LGA    I   114_A      I   114_A     0.547     0    0.067   0.095     0.635   90.476   90.476
LGA    Q   115_A      Q   115_A     0.618     0    0.065   1.021     5.015   95.238   75.714
LGA    S   116_A      S   116_A     0.743     0    0.083   0.688     2.749   90.476   84.921
LGA    N   117_A      N   117_A     0.801     0    0.041   0.284     1.497   90.476   88.214
LGA    L   118_A      L   118_A     0.695     0    0.038   0.097     0.789   90.476   90.476
LGA    N   119_A      N   119_A     0.443     0    0.021   0.129     0.702   92.857   95.238
LGA    Q   120_A      Q   120_A     0.864     0    0.033   1.042     2.942   88.214   83.810
LGA    I   121_A      I   121_A     1.202     0    0.007   1.278     3.911   81.429   75.595
LGA    Q   122_A      Q   122_A     0.811     0    0.030   0.131     1.703   90.476   85.503
LGA    Q   123_A      Q   123_A     0.392     0    0.044   1.391     4.707   97.619   74.074
LGA    I   124_A      I   124_A     1.118     0    0.012   0.049     2.103   83.690   77.262
LGA    I   125_A      I   125_A     1.399     0    0.010   0.046     2.251   81.429   75.119
LGA    T   126_A      T   126_A     0.905     0    0.027   0.095     0.962   90.476   90.476
LGA    E   127_A      E   127_A     0.437     0    0.037   0.863     3.658   97.619   82.328
LGA    A   128_A      A   128_A     0.792     0    0.029   0.027     1.049   90.476   88.667
LGA    Q   129_A      Q   129_A     1.297     0    0.028   1.192     5.319   81.429   61.905
LGA    K   130_A      K   130_A     1.113     0    0.063   0.082     2.276   85.952   77.831
LGA    R   131_A      R   131_A     0.411     0    0.049   1.250     5.888  100.000   71.169
LGA    L   132_A      L   132_A     0.526     0    0.327   1.316     4.071   88.452   77.262

# 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):     4.233          4.121                  5.143           75.253   70.704

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  132    4.0    122    1.50    79.924    85.309     7.634

LGA_LOCAL      RMSD:   1.498  Number of atoms:  122  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.638  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   4.233  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.304557 * X  +  -0.492037 * Y  +   0.815564 * Z  + -30.562178
  Y_new =  -0.153843 * X  +  -0.819588 * Y  +  -0.551914 * Z  +  -9.700828
  Z_new =   0.939988 * X  +  -0.293558 * Y  +   0.173915 * Z  +  47.507748 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.673845 -1.222595 -1.035956   [DEG: -153.2000  -70.0496  -59.3559 ]
ZXZ:  0.975862  1.395993  1.873498   [DEG:   55.9128   79.9845  107.3435 ]
 
# END of job
