
#######################################################
#                                                     #
#                        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  113 (  929),  selected  113 , name one
# Molecule2: number of CA atoms  123 (  980),  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      19_A - 131_A       1.32     1.32
  LCS_AVERAGE:     91.87

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   113      19_A - 131_A       1.32     1.32
  LCS_AVERAGE:     91.87

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      22_A - 124_A       1.00     1.34
  LCS_AVERAGE:     78.87

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     S    19_A     S    19_A     26  113  113      3    4    9   30   66   81  102  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H    20_A     H    20_A     57  113  113      5    9   45   75   97  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     M    21_A     M    21_A    102  113  113      5   31   78  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    22_A     Q    22_A    103  113  113     27   75   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    23_A     E    23_A    103  113  113     34   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    24_A     E    24_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    25_A     E    25_A    103  113  113     34   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    26_A     F    26_A    103  113  113     34   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H    27_A     H    27_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    28_A     K    28_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    29_A     L    29_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    30_A     A    30_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    31_A     N    31_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    32_A     F    32_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    33_A     T    33_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    34_A     I    34_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    35_A     N    35_A    103  113  113     38   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H    36_A     H    36_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    37_A     L    37_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    38_A     L    38_A    103  113  113     24   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    39_A     E    39_A    103  113  113     24   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    40_A     K    40_A    103  113  113     15   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    41_A     I    41_A    103  113  113     15   75   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    42_A     E    42_A    103  113  113     29   76   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    43_A     D    43_A    103  113  113     23   75   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    44_A     Y    44_A    103  113  113     34   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    45_A     G    45_A    103  113  113      5   65   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    46_A     D    46_A    103  113  113      5   10   71  104  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    47_A     N    47_A    103  113  113      5   16   71  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    48_A     V    48_A    103  113  113      5   50   90  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    49_A     Q    49_A    103  113  113      4    4   90  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    50_A     I    50_A    103  113  113      4    7   89  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    51_A     D    51_A    103  113  113      3   48   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    52_A     G    52_A    103  113  113      9   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    53_A     F    53_A    103  113  113     20   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    54_A     D    54_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    55_A     I    55_A    103  113  113     36   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    56_A     D    56_A    103  113  113     17   75   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    57_A     Y    57_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    58_A     G    58_A    103  113  113      6   56   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    59_A     N    59_A    103  113  113      6   22   91  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    60_A     E    60_A    103  113  113     11   43   91  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    61_A     V    61_A    103  113  113     23   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    62_A     L    62_A    103  113  113     35   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    63_A     T    63_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    64_A     L    64_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    65_A     K    65_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    66_A     L    66_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    67_A     G    67_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    68_A     S    68_A    103  113  113     11   73   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    69_A     L    69_A    103  113  113     16   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    70_A     G    70_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    71_A     T    71_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    72_A     Y    72_A    103  113  113     38   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    73_A     V    73_A    103  113  113     35   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    74_A     L    74_A    103  113  113     24   74   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    75_A     N    75_A    103  113  113     24   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    76_A     K    76_A    103  113  113     24   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A    103  113  113     24   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A    103  113  113     24   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    79_A     P    79_A    103  113  113     24   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    80_A     N    80_A    103  113  113     34   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    81_A     R    81_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    82_A     Q    82_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     W    84_A     W    84_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     M    85_A     M    85_A    103  113  113     37   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    86_A     S    86_A    103  113  113     34   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    87_A     S    87_A    103  113  113     34   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    88_A     P    88_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    89_A     V    89_A    103  113  113     12   76   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    90_A     S    90_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    91_A     G    91_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    92_A     P    92_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    93_A     S    93_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    94_A     R    94_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    95_A     F    95_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    96_A     D    96_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     W    97_A     W    97_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    98_A     D    98_A    103  113  113     11   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    99_A     R    99_A    103  113  113      5   18   78  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D   100_A     D   100_A    103  113  113      8   32   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A   101_A     A   101_A    103  113  113     28   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N   102_A     N   102_A    103  113  113      8   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A   103_A     A   103_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     W   104_A     W   104_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I   105_A     I   105_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   106_A     Y   106_A    103  113  113     35   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   107_A     R   107_A    103  113  113      4   51   92  104  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   108_A     R   108_A    103  113  113     25   74   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   109_A     T   109_A    103  113  113      3   74   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   110_A     E   110_A    103  113  113     14   48   90  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A   111_A     A   111_A    103  113  113     29   74   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K   112_A     K   112_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L   113_A     L   113_A    103  113  113     20   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   114_A     H   114_A    103  113  113     20   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K   115_A     K   115_A    103  113  113     20   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L   116_A     L   116_A    103  113  113     20   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L   117_A     L   117_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A    103  113  113     23   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   119_A     E   119_A    103  113  113     20   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   120_A     E   120_A    103  113  113     38   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L   121_A     L   121_A    103  113  113     39   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   122_A     E   122_A    103  113  113     33   75   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N   123_A     N   123_A    103  113  113      6   39   90  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L   124_A     L   124_A    103  113  113      6   24   84  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   125_A     C   125_A     66  113  113      6   21   79  102  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   126_A     G   126_A     66  113  113      6   43   89  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   127_A     E   127_A     16  113  113      3   20   58  104  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P   128_A     P   128_A      5  113  113      3   22   60   98  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I   129_A     I   129_A      5  113  113      3   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q   130_A     Q   130_A      5  113  113      6   77   93  105  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L   131_A     L   131_A      5  113  113      3   57   93  104  110  111  112  113  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  87.54  (  78.87   91.87   91.87 )

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     39     77     93    105    110    111    112    113    113    113    113    113    113    113    113    113    113    113    113    113 
GDT PERCENT_AT  31.71  62.60  75.61  85.37  89.43  90.24  91.06  91.87  91.87  91.87  91.87  91.87  91.87  91.87  91.87  91.87  91.87  91.87  91.87  91.87
GDT RMS_LOCAL    0.37   0.61   0.76   1.01   1.10   1.12   1.19   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32
GDT RMS_ALL_AT   1.45   1.44   1.39   1.33   1.33   1.33   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32

# Checking swapping
#   possible swapping detected:  E    25_A      E    25_A
#   possible swapping detected:  F    53_A      F    53_A
#   possible swapping detected:  E   122_A      E   122_A
#   possible swapping detected:  E   127_A      E   127_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    S    19_A      S    19_A     6.004     0    0.406   0.463     7.912   21.786   17.937
LGA    H    20_A      H    20_A     4.022     5    0.279   0.295     4.073   45.119   21.762
LGA    M    21_A      M    21_A     2.227     0    0.011   1.015     3.043   66.905   63.036
LGA    Q    22_A      Q    22_A     0.835     0    0.144   1.292     6.364   90.595   69.259
LGA    E    23_A      E    23_A     0.416     0    0.064   0.233     1.841   97.619   89.683
LGA    E    24_A      E    24_A     0.185     4    0.024   0.025     0.313  100.000   55.556
LGA    E    25_A      E    25_A     0.441     0    0.052   0.689     3.503  100.000   80.952
LGA    F    26_A      F    26_A     0.200     0    0.063   0.175     0.653  100.000   98.268
LGA    H    27_A      H    27_A     0.337     0    0.050   0.141     0.418  100.000  100.000
LGA    K    28_A      K    28_A     0.455     0    0.048   0.986     4.443  100.000   81.323
LGA    L    29_A      L    29_A     0.321     0    0.022   0.154     1.115  100.000   95.298
LGA    A    30_A      A    30_A     0.296     0    0.041   0.044     0.353  100.000  100.000
LGA    N    31_A      N    31_A     0.096     0    0.049   0.219     0.591  100.000   98.810
LGA    F    32_A      F    32_A     0.283     0    0.025   0.282     1.316  100.000   91.515
LGA    T    33_A      T    33_A     0.510     0    0.021   0.067     0.853   92.857   91.837
LGA    I    34_A      I    34_A     0.481     0    0.027   0.603     2.589   95.238   88.690
LGA    N    35_A      N    35_A     0.581     0    0.050   0.891     3.849   90.476   76.548
LGA    H    36_A      H    36_A     0.454     0    0.030   0.218     1.617   97.619   90.714
LGA    L    37_A      L    37_A     0.646     0    0.027   0.160     0.957   92.857   91.667
LGA    L    38_A      L    38_A     0.851     0    0.064   0.751     1.800   88.214   84.940
LGA    E    39_A      E    39_A     0.778     0    0.078   0.669     3.750   88.214   77.513
LGA    K    40_A      K    40_A     0.943     0    0.019   0.538     3.942   88.214   75.661
LGA    I    41_A      I    41_A     1.014     0    0.110   0.164     1.514   88.214   83.750
LGA    E    42_A      E    42_A     0.695     0    0.067   0.723     3.098   90.476   81.164
LGA    D    43_A      D    43_A     0.979     0    0.045   0.162     2.161   90.476   82.798
LGA    Y    44_A      Y    44_A     0.500     0    0.075   1.287     7.988   92.857   59.722
LGA    G    45_A      G    45_A     1.098     0    0.092   0.092     1.375   83.690   83.690
LGA    D    46_A      D    46_A     2.240     0    0.016   0.080     3.317   64.881   58.333
LGA    N    47_A      N    47_A     2.150     0    0.141   0.284     3.044   61.071   70.179
LGA    V    48_A      V    48_A     1.622     0    0.110   0.909     4.100   75.000   66.735
LGA    Q    49_A      Q    49_A     1.671     0    0.191   0.726     3.711   72.976   65.344
LGA    I    50_A      I    50_A     1.861     0    0.164   0.644     2.578   72.857   69.881
LGA    D    51_A      D    51_A     1.515     0    0.175   0.229     3.842   79.286   65.655
LGA    G    52_A      G    52_A     0.571     0    0.068   0.068     0.994   90.476   90.476
LGA    F    53_A      F    53_A     0.824     0    0.071   1.173     5.422   90.476   69.004
LGA    D    54_A      D    54_A     0.157     0    0.187   0.441     1.515   95.238   90.714
LGA    I    55_A      I    55_A     0.300     0    0.110   1.441     4.416   95.238   78.810
LGA    D    56_A      D    56_A     1.083     0    0.048   0.847     4.333   90.595   73.333
LGA    Y    57_A      Y    57_A     0.369     0    0.098   0.384     3.885   92.857   76.825
LGA    G    58_A      G    58_A     1.365     0    0.157   0.157     1.562   79.405   79.405
LGA    N    59_A      N    59_A     1.979     0    0.017   1.016     3.794   72.857   67.143
LGA    E    60_A      E    60_A     1.804     0    0.066   0.342     2.085   72.857   74.921
LGA    V    61_A      V    61_A     0.814     0    0.090   1.146     2.688   88.214   79.660
LGA    L    62_A      L    62_A     0.660     0    0.036   0.064     0.761   90.476   90.476
LGA    T    63_A      T    63_A     0.508     0    0.044   0.073     0.600   92.857   93.197
LGA    L    64_A      L    64_A     0.490     0    0.025   0.072     0.599   92.857   96.429
LGA    K    65_A      K    65_A     0.444     0    0.032   1.050     2.446  100.000   86.138
LGA    L    66_A      L    66_A     0.305     0    0.097   0.117     0.600   97.619   96.429
LGA    G    67_A      G    67_A     0.798     0    0.131   0.131     0.890   90.476   90.476
LGA    S    68_A      S    68_A     1.395     0    0.044   0.611     4.009   81.429   72.619
LGA    L    69_A      L    69_A     1.105     0    0.109   0.240     1.350   83.690   88.274
LGA    G    70_A      G    70_A     0.298     0    0.042   0.042     0.683   95.238   95.238
LGA    T    71_A      T    71_A     0.347     0    0.029   0.047     0.393  100.000  100.000
LGA    Y    72_A      Y    72_A     0.555     0    0.026   0.072     0.714   92.857   91.270
LGA    V    73_A      V    73_A     0.524     0    0.021   0.035     0.674   92.857   94.558
LGA    L    74_A      L    74_A     1.061     0    0.069   0.179     1.592   81.548   80.417
LGA    N    75_A      N    75_A     0.984     0    0.053   1.123     2.762   90.476   84.107
LGA    K    76_A      K    76_A     0.853     0    0.026   0.832     1.763   85.952   85.503
LGA    Q    77_A      Q    77_A     1.065     0    0.049   1.097     3.062   85.952   80.000
LGA    T    78_A      T    78_A     1.139     0    0.050   0.195     1.211   81.429   82.721
LGA    P    79_A      P    79_A     1.355     0    0.017   0.062     1.484   81.429   81.429
LGA    N    80_A      N    80_A     1.147     0    0.056   1.069     3.783   81.429   76.726
LGA    R    81_A      R    81_A     0.919     0    0.028   1.264     4.428   90.476   72.511
LGA    Q    82_A      Q    82_A     0.508     0    0.020   0.072     1.207   95.238   89.577
LGA    I    83_A      I    83_A     0.164     0    0.043   0.053     0.246  100.000  100.000
LGA    W    84_A      W    84_A     0.102     0    0.048   0.059     1.028  100.000   94.592
LGA    M    85_A      M    85_A     0.377     0    0.032   0.355     2.237  100.000   88.690
LGA    S    86_A      S    86_A     0.379     0    0.012   0.575     1.951   97.619   93.889
LGA    S    87_A      S    87_A     0.492     0    0.038   0.065     0.985   97.619   95.238
LGA    P    88_A      P    88_A     0.513     0    0.043   0.071     1.255   90.595   94.626
LGA    V    89_A      V    89_A     1.375     0    0.029   0.056     2.284   83.690   76.735
LGA    S    90_A      S    90_A     0.370     0    0.052   0.086     0.632   97.619   98.413
LGA    G    91_A      G    91_A     0.436     0    0.033   0.033     0.436  100.000  100.000
LGA    P    92_A      P    92_A     0.405     0    0.040   0.068     1.189   92.976   93.265
LGA    S    93_A      S    93_A     0.674     0    0.031   0.600     2.397   95.238   89.365
LGA    R    94_A      R    94_A     1.101     0    0.037   1.253     2.876   81.429   77.749
LGA    F    95_A      F    95_A     0.989     0    0.031   0.080     0.989   90.476   90.476
LGA    D    96_A      D    96_A     1.087     0    0.016   0.082     1.330   81.429   81.429
LGA    W    97_A      W    97_A     0.927     0    0.011   0.128     1.113   88.214   88.537
LGA    D    98_A      D    98_A     1.125     0    0.047   0.511     2.538   83.690   78.452
LGA    R    99_A      R    99_A     1.772     0    0.057   1.286     6.200   72.857   57.186
LGA    D   100_A      D   100_A     1.438     0    0.077   0.317     2.636   81.429   75.179
LGA    A   101_A      A   101_A     0.852     0    0.065   0.060     1.042   88.214   88.667
LGA    N   102_A      N   102_A     0.853     0    0.044   1.129     3.335   88.214   79.821
LGA    A   103_A      A   103_A     0.937     0    0.040   0.053     0.997   90.476   90.476
LGA    W   104_A      W   104_A     0.940     0    0.033   0.094     1.166   85.952   89.184
LGA    I   105_A      I   105_A     1.137     0    0.051   1.087     3.850   81.429   71.667
LGA    Y   106_A      Y   106_A     1.364     0    0.185   0.306     1.482   81.429   81.429
LGA    R   107_A      R   107_A     2.266     0    0.038   1.020     9.943   70.833   39.697
LGA    R   108_A      R   108_A     1.057     0    0.290   1.237     4.047   77.262   68.355
LGA    T   109_A      T   109_A     0.842     0    0.712   1.410     3.952   84.524   77.755
LGA    E   110_A      E   110_A     1.698     0    0.139   0.322     4.548   79.405   59.788
LGA    A   111_A      A   111_A     0.775     0    0.028   0.031     1.373   90.595   88.762
LGA    K   112_A      K   112_A     0.940     0    0.069   0.885     5.146   90.595   69.259
LGA    L   113_A      L   113_A     1.120     0    0.021   0.045     1.195   81.429   84.821
LGA    H   114_A      H   114_A     1.093     0    0.021   1.426     6.065   81.429   58.524
LGA    K   115_A      K   115_A     1.536     0    0.081   0.787     5.963   79.286   57.725
LGA    L   116_A      L   116_A     1.233     0    0.031   0.725     2.983   83.690   76.488
LGA    L   117_A      L   117_A     0.760     0    0.018   0.205     0.900   90.476   90.476
LGA    E   118_A      E   118_A     1.379     0    0.022   0.870     3.951   81.429   66.561
LGA    E   119_A      E   119_A     1.379     0    0.019   1.221     5.393   81.429   64.021
LGA    E   120_A      E   120_A     0.449     0    0.041   0.110     0.670   97.619   96.825
LGA    L   121_A      L   121_A     0.399     0    0.028   0.050     1.240   97.619   92.917
LGA    E   122_A      E   122_A     0.631     0    0.021   0.226     1.374   90.595   92.646
LGA    N   123_A      N   123_A     1.693     0    0.078   0.154     2.278   72.976   69.881
LGA    L   124_A      L   124_A     2.066     0    0.015   0.196     2.769   64.881   69.940
LGA    C   125_A      C   125_A     2.432     0    0.022   0.121     2.724   62.857   63.492
LGA    G   126_A      G   126_A     2.050     0    0.618   0.618     3.365   63.095   63.095
LGA    E   127_A      E   127_A     2.396     0    0.038   1.067     5.894   52.738   37.619
LGA    P   128_A      P   128_A     2.691     0    0.024   0.134     3.864   71.548   60.408
LGA    I   129_A      I   129_A     1.059     0    0.014   0.082     3.568   75.119   64.464
LGA    Q   130_A      Q   130_A     1.422     0    0.031   1.038     5.237   77.143   63.280
LGA    L   131_A      L   131_A     1.960     0    0.671   0.562     3.422   67.143   68.988

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      113     452    452  100.00     920    920  100.00               123
SUMMARY(RMSD_GDC):     1.315          1.333                  1.949           78.832   72.825

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  113  123    4.0    113    1.32    82.927    87.584     7.983

LGA_LOCAL      RMSD:   1.315  Number of atoms:  113  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.315  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   1.315  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.415526 * X  +   0.823344 * Y  +   0.386579 * Z  + -29.592577
  Y_new =   0.850881 * X  +  -0.201651 * Y  +  -0.485116 * Z  + -53.043621
  Z_new =  -0.321464 * X  +   0.530511 * Y  +  -0.784359 * Z  +   9.895144 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.116514  0.327275  2.546908   [DEG:   63.9715   18.7515  145.9271 ]
ZXZ:  0.672834  2.472459 -0.544784   [DEG:   38.5506  141.6615  -31.2138 ]
 
# END of job
