
#######################################################
#                                                     #
#                        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  119 (  870),  selected  113 , name one
# Molecule2: number of CA atoms  113 (  828),  selected  113 , 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:   113       7_A - 119_A       2.24     2.24
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   102      16_A - 117_A       1.99     2.32
  LONGEST_CONTINUOUS_SEGMENT:   102      17_A - 118_A       1.99     2.34
  LCS_AVERAGE:     89.62

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    63       7_A - 69_A        0.99     4.85
  LCS_AVERAGE:     52.28

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  113
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     E     7_A     E     7_A     63   87  113     16   43   59   73   81   88  104  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     63   87  113     33   48   67   76   85   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     63   87  113     17   43   59   73   81   85   96  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     63   87  113     33   48   63   76   82   89  104  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     63   98  113     33   48   67   76   85   96  105  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     63   98  113     33   48   67   76   85   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     63   98  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     63   98  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     63   98  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     63  102  113     30   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     63  102  113     20   43   59   76   85   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     63  102  113     20   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     63  102  113      5   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     63  102  113     33   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     63  102  113     30   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     63  102  113     28   45   65   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     63  102  113      3   23   61   70   81   97  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     63  102  113     30   46   61   75   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     63  102  113     30   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     63  102  113     30   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     63  102  113     30   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     63  102  113     30   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     63  102  113     30   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     63  102  113     30   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     63  102  113     30   46   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     63  102  113     30   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     63  102  113     30   46   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     63  102  113     30   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     63  102  113     28   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     63  102  113     13   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     63  102  113     13   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     63  102  113     24   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     63  102  113     30   45   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     63  102  113     30   46   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     63  102  113     30   48   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     63  102  113     30   46   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     63  102  113     30   46   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     63  102  113     30   46   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     61  102  113     30   46   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     54  102  113     30   46   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     54  102  113     30   46   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     54  102  113     27   46   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     54  102  113     30   46   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     54  102  113     30   46   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     54  102  113     30   46   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     54  102  113     30   46   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     54  102  113     30   46   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     54  102  113     30   46   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     54  102  113     30   46   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     54  102  113     30   46   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     54  102  113     19   46   63   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     54  102  113     19   46   61   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     54  102  113     22   46   61   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     54  102  113     22   46   61   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     54  102  113     22   46   61   74   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     54  102  113     18   45   61   74   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     54  102  113     17   44   61   74   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     54  102  113      3   31   61   70   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     54  102  113     22   46   61   70   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     54  102  113     22   46   61   70   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     54  102  113     22   44   61   70   82   98  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     54  102  113     18   35   57   69   76   86  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     54  102  113     15   35   60   70   76   89  105  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     54  102  113     22   46   61   70   85   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     54  102  113     22   46   61   70   90   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     54  102  113     22   46   61   70   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     54  102  113     22   46   61   73   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     54  102  113     22   45   61   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     54  102  113     16   35   62   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     54  102  113     16   35   44   76   85   97  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     54  102  113     22   40   67   76   86   98  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     54  102  113     30   41   67   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     54  102  113     27   45   61   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     54  102  113     22   46   61   76   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     54  102  113     22   46   61   72   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     54  102  113     22   46   61   70   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     54  102  113     22   46   61   70   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     54  102  113     20   45   61   70   85   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     54  102  113     20   37   59   70   79   95  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     54  102  113     20   35   59   70   79   95  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     54  102  113     22   46   61   70   82   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     54  102  113     22   46   61   70   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     54  102  113     22   46   61   70   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     54  102  113     22   46   61   70   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     54  102  113     22   46   61   70   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     54  102  113     22   46   61   70   91   99  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     54  102  113     22   35   59   69   79   95  106  110  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     54  100  113     16   33   41   58   71   79   85  106  110  113  113  113  113  113  113  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  80.64  (  52.28   89.62  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     33     48     67     76     91     99    106    110    112    113    113    113    113    113    113    113    113    113    113    113 
GDT PERCENT_AT  29.20  42.48  59.29  67.26  80.53  87.61  93.81  97.35  99.12 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.63   1.02   1.16   1.72   1.89   2.03   2.14   2.20   2.24   2.24   2.24   2.24   2.24   2.24   2.24   2.24   2.24   2.24   2.24
GDT RMS_ALL_AT   6.33   5.10   3.75   3.56   2.32   2.26   2.25   2.24   2.24   2.24   2.24   2.24   2.24   2.24   2.24   2.24   2.24   2.24   2.24   2.24

# Checking swapping
#   possible swapping detected:  E     7_A      E     7_A
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    85_A      E    85_A
#   possible swapping detected:  E   118_A      E   118_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_A      E     7_A     4.086     0    0.113   1.218     4.371   38.690   39.894
LGA    C     8_A      C     8_A     3.065     0    0.057   0.059     3.557   48.333   52.540
LGA    A     9_A      A     9_A     4.624     0    0.078   0.083     5.308   34.286   32.667
LGA    S    10_A      S    10_A     4.090     0    0.016   0.155     4.178   40.238   40.238
LGA    N    11_A      N    11_A     3.492     0    0.004   0.986     3.939   48.333   48.393
LGA    P    12_A      P    12_A     3.026     0    0.047   0.083     3.026   53.571   55.102
LGA    C    13_A      C    13_A     2.086     0    0.011   0.052     2.508   62.857   66.190
LGA    L    14_A      L    14_A     2.215     0    0.016   0.082     3.039   66.786   62.024
LGA    N    15_A      N    15_A     2.089     0    0.027   0.098     2.310   68.810   69.821
LGA    Q    16_A      Q    16_A     2.125     0    0.032   1.209     6.204   64.762   54.709
LGA    G    17_A      G    17_A     1.927     0    0.041   0.041     2.052   68.810   68.810
LGA    T    18_A      T    18_A     1.522     0    0.071   1.132     3.360   77.143   72.109
LGA    C    19_A      C    19_A     1.662     0    0.055   0.099     1.954   72.857   72.857
LGA    I    20_A      I    20_A     1.149     0    0.036   0.473     1.512   79.286   83.750
LGA    D    21_A      D    21_A     1.534     0    0.024   0.831     5.180   79.286   62.857
LGA    D    22_A      D    22_A     1.819     0    0.029   0.808     3.632   68.810   62.321
LGA    V    23_A      V    23_A     2.793     0    0.009   0.051     3.666   57.262   53.197
LGA    A    24_A      A    24_A     2.427     0    0.433   0.441     3.974   57.500   57.429
LGA    G    25_A      G    25_A     1.974     0    0.241   0.241     1.974   77.143   77.143
LGA    Y    26_A      Y    26_A     2.140     0    0.011   0.149     3.510   64.881   58.690
LGA    K    27_A      K    27_A     1.484     0    0.029   0.096     3.137   79.286   70.582
LGA    C    28_A      C    28_A     0.941     0    0.014   0.034     1.306   88.214   85.952
LGA    N    29_A      N    29_A     0.633     0    0.039   1.315     4.477   88.214   71.845
LGA    C    30_A      C    30_A     0.658     0    0.076   0.115     0.977   90.476   92.063
LGA    L    31_A      L    31_A     1.487     0    0.107   0.256     2.031   81.429   78.274
LGA    L    32_A      L    32_A     2.073     0    0.046   0.119     3.250   64.881   61.071
LGA    P    33_A      P    33_A     1.559     0    0.099   0.146     2.171   77.143   74.150
LGA    Y    34_A      Y    34_A     0.619     0    0.011   0.079     1.733   92.857   85.317
LGA    T    35_A      T    35_A     0.647     0    0.081   0.099     0.737   90.476   90.476
LGA    G    36_A      G    36_A     1.015     0    0.017   0.017     1.359   83.690   83.690
LGA    A    37_A      A    37_A     1.662     0    0.045   0.048     2.079   77.143   74.667
LGA    T    38_A      T    38_A     1.633     0    0.034   0.133     2.548   77.143   73.061
LGA    C    39_A      C    39_A     0.996     0    0.026   0.038     1.141   83.690   85.952
LGA    E    40_A      E    40_A     1.379     0    0.038   0.218     1.855   81.429   77.619
LGA    V    41_A      V    41_A     0.697     0    0.054   0.068     1.153   90.476   89.184
LGA    V    42_A      V    42_A     0.697     0    0.043   0.061     1.156   92.857   90.544
LGA    L    43_A      L    43_A     1.297     0    0.032   0.038     1.431   81.429   81.429
LGA    A    44_A      A    44_A     1.520     0    0.025   0.028     1.716   75.000   74.571
LGA    P    45_A      P    45_A     1.787     0    0.027   0.045     1.994   72.857   72.857
LGA    C    46_A      C    46_A     2.091     0    0.031   0.029     2.291   66.786   66.111
LGA    A    47_A      A    47_A     1.724     0    0.637   0.603     2.758   71.071   68.286
LGA    P    48_A      P    48_A     3.687     0    0.096   0.352     5.003   45.714   42.517
LGA    S    49_A      S    49_A     2.684     0    0.051   0.086     3.194   57.143   54.762
LGA    P    50_A      P    50_A     2.411     0    0.034   0.071     2.449   64.762   64.762
LGA    C    51_A      C    51_A     2.443     0    0.113   0.153     3.131   59.167   61.032
LGA    R    52_A      R    52_A     2.161     0    0.033   0.657     2.259   64.762   68.528
LGA    N    53_A      N    53_A     2.073     0    0.013   0.132     2.195   64.762   66.786
LGA    G    54_A      G    54_A     2.125     0    0.052   0.052     2.129   64.762   64.762
LGA    G    55_A      G    55_A     1.943     0    0.013   0.013     2.203   66.786   66.786
LGA    E    56_A      E    56_A     2.162     0    0.017   1.091     6.120   66.786   48.889
LGA    C    57_A      C    57_A     2.157     0    0.012   0.095     2.447   64.762   64.762
LGA    R    58_A      R    58_A     2.039     0    0.044   1.245     5.628   66.786   60.433
LGA    Q    59_A      Q    59_A     1.960     0    0.009   1.031     3.871   68.810   65.079
LGA    S    60_A      S    60_A     2.335     0    0.016   0.019     2.411   64.762   64.762
LGA    E    61_A      E    61_A     2.643     0    0.050   0.752     3.833   57.143   54.815
LGA    D    62_A      D    62_A     2.528     0    0.018   0.187     2.703   60.952   59.048
LGA    Y    63_A      Y    63_A     2.232     0    0.024   0.106     2.542   64.762   63.492
LGA    E    64_A      E    64_A     2.237     0    0.019   0.849     3.781   64.762   59.841
LGA    S    65_A      S    65_A     2.358     0    0.020   0.044     2.631   64.762   62.222
LGA    F    66_A      F    66_A     2.188     0    0.020   0.100     2.327   64.762   64.762
LGA    S    67_A      S    67_A     1.990     0    0.045   0.056     2.250   66.786   68.810
LGA    C    68_A      C    68_A     1.876     0    0.017   0.044     2.078   72.857   71.508
LGA    V    69_A      V    69_A     1.697     0    0.024   0.028     1.839   72.857   72.857
LGA    C    70_A      C    70_A     1.730     0    0.019   0.022     1.760   72.857   72.857
LGA    P    71_A      P    71_A     1.709     0    0.018   0.062     1.774   72.857   72.857
LGA    T    72_A      T    72_A     1.560     0    0.017   0.049     1.763   72.857   74.082
LGA    G    73_A      G    73_A     1.355     0    0.025   0.025     1.460   81.429   81.429
LGA    W    74_A      W    74_A     1.494     0    0.010   0.061     2.255   81.429   72.415
LGA    Q    75_A      Q    75_A     1.387     0    0.021   0.206     1.561   79.286   80.529
LGA    G    76_A      G    76_A     1.702     0    0.037   0.037     1.918   72.857   72.857
LGA    Q    77_A      Q    77_A     1.660     0    0.006   0.240     1.799   72.857   74.762
LGA    T    78_A      T    78_A     1.937     0    0.039   0.056     2.017   72.857   71.701
LGA    C    79_A      C    79_A     1.863     0    0.047   0.042     1.948   72.857   72.857
LGA    E    80_A      E    80_A     1.902     0    0.040   0.967     6.354   72.857   54.815
LGA    V    81_A      V    81_A     1.791     0    0.015   0.025     1.859   72.857   72.857
LGA    D    82_A      D    82_A     1.890     0    0.085   0.234     2.840   72.857   67.857
LGA    I    83_A      I    83_A     1.040     0    0.019   0.041     1.353   85.952   88.214
LGA    N    84_A      N    84_A     0.952     0    0.022   0.072     1.555   90.476   86.012
LGA    E    85_A      E    85_A     0.479     0    0.017   0.070     0.592   92.857   95.767
LGA    C    86_A      C    86_A     0.911     0    0.065   0.071     1.132   90.476   87.460
LGA    V    87_A      V    87_A     0.884     0    0.060   0.071     1.039   88.214   87.891
LGA    L    88_A      L    88_A     0.896     0    0.444   0.333     4.074   84.048   67.440
LGA    S    89_A      S    89_A     1.909     0    0.365   0.728     5.180   72.976   62.540
LGA    P    90_A      P    90_A     2.010     0    0.112   0.184     2.333   64.762   64.762
LGA    C    91_A      C    91_A     2.126     0    0.056   0.067     2.528   60.952   64.921
LGA    R    92_A      R    92_A     3.329     0    0.030   1.385     4.188   50.119   52.338
LGA    H    93_A      H    93_A     4.441     0    0.018   0.085     5.102   35.714   32.095
LGA    G    94_A      G    94_A     4.154     0    0.105   0.105     4.154   40.238   40.238
LGA    A    95_A      A    95_A     3.012     0    0.022   0.024     3.383   53.571   54.286
LGA    S    96_A      S    96_A     2.653     0    0.025   0.051     2.782   60.952   60.952
LGA    C    97_A      C    97_A     1.535     0    0.036   0.080     1.944   72.857   75.714
LGA    Q    98_A      Q    98_A     1.440     0    0.023   0.090     2.490   81.429   76.720
LGA    N    99_A      N    99_A     1.634     0    0.034   0.163     2.819   70.833   68.869
LGA    T   100_A      T   100_A     2.405     0    0.026   0.097     2.664   64.881   64.830
LGA    H   101_A      H   101_A     3.501     0    0.026   1.147     7.204   46.667   36.571
LGA    G   102_A      G   102_A     3.070     0    0.029   0.029     3.070   53.571   53.571
LGA    G   103_A      G   103_A     2.108     0    0.040   0.040     2.362   70.952   70.952
LGA    Y   104_A      Y   104_A     0.883     0    0.039   0.164     2.235   88.214   84.643
LGA    R   105_A      R   105_A     0.486     0    0.020   1.217     5.229   95.238   74.242
LGA    C   106_A      C   106_A     1.081     0    0.054   0.093     1.568   86.071   83.095
LGA    H   107_A      H   107_A     1.727     0    0.094   1.144     3.177   70.833   68.143
LGA    C   108_A      C   108_A     2.114     0    0.031   0.107     2.392   66.786   67.460
LGA    Q   109_A      Q   109_A     2.890     0    0.014   0.682     5.877   55.357   45.873
LGA    A   110_A      A   110_A     3.455     0    0.005   0.004     3.965   46.667   46.000
LGA    G   111_A      G   111_A     3.446     0    0.102   0.102     3.446   50.000   50.000
LGA    Y   112_A      Y   112_A     3.103     0    0.023   0.079     5.672   55.476   41.667
LGA    S   113_A      S   113_A     2.150     0    0.028   0.079     2.654   60.952   62.222
LGA    G   114_A      G   114_A     2.256     0    0.019   0.019     2.256   68.810   68.810
LGA    R   115_A      R   115_A     1.909     0    0.035   0.693     4.673   70.833   62.727
LGA    N   116_A      N   116_A     2.159     0    0.004   0.171     2.814   62.857   63.869
LGA    C   117_A      C   117_A     2.509     0    0.013   0.030     3.214   57.262   61.111
LGA    E   118_A      E   118_A     3.629     0    0.070   0.123     4.293   41.905   44.921
LGA    T   119_A      T   119_A     4.958     0    0.030   1.042     5.493   34.286   32.313

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      113     452    452  100.00     828    828  100.00               113
SUMMARY(RMSD_GDC):     2.238          2.235                  2.487           68.676   66.379

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0    110    2.14    76.770    84.954     4.918

LGA_LOCAL      RMSD:   2.137  Number of atoms:  110  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.242  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   2.238  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.713778 * X  +  -0.389216 * Y  +   0.582264 * Z  +   4.574537
  Y_new =  -0.020343 * X  +  -0.819492 * Y  +  -0.572730 * Z  +  18.916180
  Z_new =   0.700077 * X  +  -0.420647 * Y  +   0.577017 * Z  +  25.971977 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.113099 -0.775505 -0.629927   [DEG: -178.3674  -44.4331  -36.0922 ]
ZXZ:  0.793653  0.955724  2.111847   [DEG:   45.4730   54.7590  120.9999 ]
 
# END of job
