
#######################################################
#                                                     #
#                        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  125 ( 1028),  selected  105 , name one
# Molecule2: number of CA atoms  105 (  864),  selected  105 , 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:   105      22_A - 126_A       1.65     1.65
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105      22_A - 126_A       1.65     1.65
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    69      22_A - 90_A        0.97     1.83
  LONGEST_CONTINUOUS_SEGMENT:    69      23_A - 91_A        0.99     1.77
  LCS_AVERAGE:     49.24

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  105
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     N    22_A     N    22_A     69  105  105      3   10   43   70   94   99  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    23_A     K    23_A     69  105  105     22   69   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     V    24_A     V    24_A     69  105  105     28   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H    25_A     H    25_A     69  105  105     22   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     I    26_A     I    26_A     69  105  105     29   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     I    27_A     I    27_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    28_A     K    28_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     C    29_A     C    29_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H    30_A     H    30_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     F    31_A     F    31_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     D    32_A     D    32_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    33_A     K    33_A     69  105  105     14   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     C    34_A     C    34_A     69  105  105     14   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     N    35_A     N    35_A     69  105  105     10   68   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    36_A     K    36_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     S    37_A     S    37_A     69  105  105     30   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     Y    38_A     Y    38_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     N    39_A     N    39_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     W    40_A     W    40_A     69  105  105     24   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     R    41_A     R    41_A     69  105  105     24   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    42_A     K    42_A     69  105  105     19   70   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    43_A     K    43_A     69  105  105     11   70   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     Y    44_A     Y    44_A     69  105  105     19   70   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     G    45_A     G    45_A     69  105  105     24   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    46_A     K    46_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     L    47_A     L    47_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     R    48_A     R    48_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     L    49_A     L    49_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     V    50_A     V    50_A     69  105  105     29   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     D    51_A     D    51_A     69  105  105     26   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H    52_A     H    52_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     A    53_A     A    53_A     69  105  105     24   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     F    54_A     F    54_A     69  105  105     22   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     T    55_A     T    55_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H    56_A     H    56_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     V    57_A     V    57_A     69  105  105     23   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     P    58_A     P    58_A     69  105  105      3   38   79   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H    59_A     H    59_A     69  105  105     19   71   86   91   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     L    60_A     L    60_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    61_A     K    61_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     M    62_A     M    62_A     69  105  105     24   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    63_A     K    63_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     C    64_A     C    64_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     N    65_A     N    65_A     69  105  105     28   70   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     F    66_A     F    66_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     C    67_A     C    67_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     D    68_A     D    68_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     Y    69_A     Y    69_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     M    70_A     M    70_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     C    71_A     C    71_A     69  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    72_A     K    72_A     69  105  105     29   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     G    73_A     G    73_A     69  105  105     29   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     I    74_A     I    74_A     69  105  105     26   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     R    75_A     R    75_A     69  105  105     26   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     N    76_A     N    76_A     69  105  105     26   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     I    77_A     I    77_A     69  105  105     28   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     R    78_A     R    78_A     69  105  105     26   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     L    79_A     L    79_A     69  105  105     26   70   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H    80_A     H    80_A     69  105  105     23   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H    81_A     H    81_A     69  105  105     26   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    82_A     K    82_A     69  105  105     26   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    83_A     K    83_A     69  105  105     26   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     S    84_A     S    84_A     69  105  105     26   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H    85_A     H    85_A     69  105  105     29   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     P    86_A     P    86_A     69  105  105     26   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     D    87_A     D    87_A     69  105  105     10   50   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     E    88_A     E    88_A     69  105  105     26   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     Q    89_A     Q    89_A     69  105  105      3   11   74   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     L    90_A     L    90_A     69  105  105      3    4    7    9   83   98  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     T    91_A     T    91_A     69  105  105      3   33   67   88   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     G    92_A     G    92_A      4  105  105      3   22   46   70   88   98  101  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     F    93_A     F    93_A      9  105  105      5   44   81   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     G    94_A     G    94_A      9  105  105     11   68   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     I    95_A     I    95_A      9  105  105     22   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K    96_A     K    96_A      9  105  105      5   31   72   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     S    97_A     S    97_A      9  105  105      5   28   66   90   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     V    98_A     V    98_A      9  105  105      5   40   67   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     V    99_A     V    99_A      9  105  105      4   40   69   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     R   100_A     R   100_A      9  105  105      4   10   38   79   97  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     T   101_A     T   101_A      9  105  105      4   10   27   64   94  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     S   102_A     S   102_A     22  105  105      4   15   70   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K   103_A     K   103_A     22  105  105     26   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K   104_A     K   104_A     22  105  105      4   18   70   90   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     G   105_A     G   105_A     22  105  105     22   66   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K   106_A     K   106_A     22  105  105     22   68   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     D   107_A     D   107_A     22  105  105     22   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     L   108_A     L   108_A     22  105  105     19   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     A   109_A     A   109_A     22  105  105     26   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K   110_A     K   110_A     22  105  105     26   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     V   111_A     V   111_A     22  105  105     26   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     W   112_A     W   112_A     22  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     D   113_A     D   113_A     22  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     E   114_A     E   114_A     22  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     C   115_A     C   115_A     22  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     F   116_A     F   116_A     22  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K   117_A     K   117_A     22  105  105     21   63   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     K   118_A     K   118_A     22  105  105     21   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     N   119_A     N   119_A     22  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     R   120_A     R   120_A     22  105  105     18   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     V   121_A     V   121_A     22  105  105     31   71   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     L   122_A     L   122_A     22  105  105     19   61   86   92   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     Q   123_A     Q   123_A     22  105  105      3   32   66   85   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     H   124_A     H   124_A     22  105  105      3    4    5   27   53   74   97  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     G   125_A     G   125_A      4  105  105      3    4   11   86   98  100  102  103  104  104  104  104  105  105  105  105  105  105  105  105 
LCS_GDT     S   126_A     S   126_A      4  105  105      3    4    4    4    4   33   42   50   64   90  103  104  105  105  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  83.08  (  49.24  100.00  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     31     71     86     92     98    100    102    103    104    104    104    104    105    105    105    105    105    105    105    105 
GDT PERCENT_AT  29.52  67.62  81.90  87.62  93.33  95.24  97.14  98.10  99.05  99.05  99.05  99.05 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.67   0.80   0.97   1.13   1.22   1.32   1.37   1.43   1.43   1.43   1.43   1.65   1.65   1.65   1.65   1.65   1.65   1.65   1.65
GDT RMS_ALL_AT   1.81   1.72   1.70   1.67   1.66   1.65   1.66   1.66   1.66   1.66   1.66   1.66   1.65   1.65   1.65   1.65   1.65   1.65   1.65   1.65

# Checking swapping
#   possible swapping detected:  F    31_A      F    31_A
#   possible swapping detected:  D    68_A      D    68_A
#   possible swapping detected:  Y    69_A      Y    69_A
#   possible swapping detected:  D   113_A      D   113_A
#   possible swapping detected:  E   114_A      E   114_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    22_A      N    22_A     3.273     0    0.297   0.867     5.326   59.405   46.964
LGA    K    23_A      K    23_A     0.940     0    0.169   0.753     3.379   86.071   77.249
LGA    V    24_A      V    24_A     0.384     0    0.043   0.069     0.572   95.238   97.279
LGA    H    25_A      H    25_A     0.762     0    0.079   0.121     1.186   90.476   85.952
LGA    I    26_A      I    26_A     0.553     0    0.016   1.476     3.899   95.238   79.583
LGA    I    27_A      I    27_A     0.475     0    0.022   0.630     2.067   97.619   90.833
LGA    K    28_A      K    28_A     0.445     0    0.019   0.090     0.686   97.619   96.825
LGA    C    29_A      C    29_A     0.453     0    0.023   0.045     0.654  100.000   98.413
LGA    H    30_A      H    30_A     0.381     0    0.014   0.161     0.781  100.000   96.190
LGA    F    31_A      F    31_A     0.594     0    0.054   0.071     1.047   90.476   88.831
LGA    D    32_A      D    32_A     0.469     0    0.065   0.799     3.713   95.238   81.726
LGA    K    33_A      K    33_A     0.800     0    0.084   0.793     2.606   90.476   81.058
LGA    C    34_A      C    34_A     0.971     0    0.599   0.562     3.128   78.095   82.222
LGA    N    35_A      N    35_A     1.356     0    0.091   0.151     2.423   79.286   73.036
LGA    K    36_A      K    36_A     0.627     0    0.050   0.934     3.356   90.476   77.619
LGA    S    37_A      S    37_A     0.641     0    0.047   0.084     0.721   90.476   90.476
LGA    Y    38_A      Y    38_A     0.548     0    0.058   0.135     1.332   95.238   89.802
LGA    N    39_A      N    39_A     0.336     0    0.117   0.301     1.449  100.000   95.298
LGA    W    40_A      W    40_A     0.479     0    0.039   0.089     0.950   95.238   93.878
LGA    R    41_A      R    41_A     0.880     0    0.050   1.076     4.905   85.952   73.333
LGA    K    42_A      K    42_A     1.244     0    0.046   0.707     3.554   81.429   74.392
LGA    K    43_A      K    43_A     1.597     0    0.038   0.606     5.654   75.000   62.910
LGA    Y    44_A      Y    44_A     1.298     0    0.126   0.205     1.947   81.429   77.143
LGA    G    45_A      G    45_A     0.972     0    0.057   0.057     1.173   88.214   88.214
LGA    K    46_A      K    46_A     0.721     0    0.043   0.572     2.190   90.476   83.651
LGA    L    47_A      L    47_A     0.538     0    0.036   0.117     1.132   92.857   89.405
LGA    R    48_A      R    48_A     0.582     0    0.029   1.104     4.493   95.238   76.797
LGA    L    49_A      L    49_A     0.376     0    0.016   0.050     0.667  100.000   96.429
LGA    V    50_A      V    50_A     0.548     0    0.031   0.046     0.911   92.857   91.837
LGA    D    51_A      D    51_A     0.682     0    0.040   0.210     1.304   90.476   87.083
LGA    H    52_A      H    52_A     0.515     0    0.024   0.133     1.157   92.857   88.714
LGA    A    53_A      A    53_A     0.835     0    0.020   0.025     0.914   90.476   90.476
LGA    F    54_A      F    54_A     0.813     0    0.036   0.684     3.077   90.476   79.697
LGA    T    55_A      T    55_A     0.426     0    0.058   0.091     0.561  100.000   98.639
LGA    H    56_A      H    56_A     0.470     0    0.027   0.104     1.070   95.238   91.476
LGA    V    57_A      V    57_A     0.649     0    0.131   0.125     1.227   88.214   91.905
LGA    P    58_A      P    58_A     1.752     0    0.662   0.627     3.626   67.619   69.932
LGA    H    59_A      H    59_A     1.434     0    0.088   1.072     7.894   81.429   48.048
LGA    L    60_A      L    60_A     1.091     0    0.186   0.208     2.164   79.286   77.202
LGA    K    61_A      K    61_A     0.458     0    0.034   0.888     2.152   95.238   86.878
LGA    M    62_A      M    62_A     0.943     0    0.046   0.943     2.503   90.476   81.845
LGA    K    63_A      K    63_A     0.897     0    0.023   1.062     7.730   90.476   62.804
LGA    C    64_A      C    64_A     1.104     0    0.038   0.127     1.510   79.286   80.000
LGA    N    65_A      N    65_A     1.514     0    0.103   0.187     2.054   79.286   74.048
LGA    F    66_A      F    66_A     1.335     0    0.024   0.085     1.441   81.429   81.429
LGA    C    67_A      C    67_A     1.363     0    0.048   0.070     1.451   81.429   81.429
LGA    D    68_A      D    68_A     1.465     0    0.018   0.291     2.878   81.429   73.155
LGA    Y    69_A      Y    69_A     0.893     0    0.043   0.065     0.968   90.476   92.857
LGA    M    70_A      M    70_A     0.869     0    0.070   0.171     1.490   90.476   88.214
LGA    C    71_A      C    71_A     0.688     0    0.057   0.105     0.830   92.857   92.063
LGA    K    72_A      K    72_A     0.052     0    0.038   0.657     2.414  100.000   90.106
LGA    G    73_A      G    73_A     0.142     0    0.046   0.046     0.554   97.619   97.619
LGA    I    74_A      I    74_A     0.677     0    0.051   0.105     0.765   90.476   90.476
LGA    R    75_A      R    75_A     0.967     0    0.023   1.149     4.269   90.476   77.662
LGA    N    76_A      N    76_A     0.792     0    0.009   0.109     0.911   90.476   90.476
LGA    I    77_A      I    77_A     0.454     0    0.049   0.131     0.752   92.857   92.857
LGA    R    78_A      R    78_A     0.951     0    0.033   0.299     1.872   90.476   82.381
LGA    L    79_A      L    79_A     0.989     0    0.034   0.051     1.483   90.476   85.952
LGA    H    80_A      H    80_A     0.633     0    0.014   0.124     0.812   90.476   94.286
LGA    H    81_A      H    81_A     0.576     0    0.040   1.166     5.717   90.476   66.429
LGA    K    82_A      K    82_A     0.836     0    0.056   0.570     2.579   90.476   85.767
LGA    K    83_A      K    83_A     0.839     0    0.022   0.914     6.406   90.476   63.439
LGA    S    84_A      S    84_A     0.614     0    0.020   0.042     0.976   92.857   92.063
LGA    H    85_A      H    85_A     0.416     0    0.020   0.104     1.252   97.619   91.524
LGA    P    86_A      P    86_A     0.791     0    0.069   0.076     1.532   86.190   90.748
LGA    D    87_A      D    87_A     1.737     0    0.023   1.088     5.490   75.000   59.940
LGA    E    88_A      E    88_A     1.175     0    0.258   0.933     2.707   83.690   80.794
LGA    Q    89_A      Q    89_A     2.020     0    0.648   0.974     8.794   65.238   41.905
LGA    L    90_A      L    90_A     4.076     0    0.212   1.428    11.192   45.238   25.476
LGA    T    91_A      T    91_A     2.662     0    0.057   0.827     5.881   66.905   49.660
LGA    G    92_A      G    92_A     3.866     0    0.689   0.689     4.176   47.143   47.143
LGA    F    93_A      F    93_A     1.719     0    0.498   1.191     5.048   83.929   55.498
LGA    G    94_A      G    94_A     1.096     0    0.048   0.048     1.382   83.690   83.690
LGA    I    95_A      I    95_A     0.617     0    0.073   1.107     2.965   85.952   80.655
LGA    K    96_A      K    96_A     1.967     0    0.242   0.670     5.914   67.262   53.915
LGA    S    97_A      S    97_A     2.434     0    0.173   0.586     3.939   64.762   61.190
LGA    V    98_A      V    98_A     2.253     0    0.076   0.232     2.827   64.762   63.673
LGA    V    99_A      V    99_A     2.109     0    0.028   0.045     2.500   64.762   63.673
LGA    R   100_A      R   100_A     2.963     0    0.073   0.872     5.001   53.810   46.840
LGA    T   101_A      T   101_A     3.855     0    0.047   0.150     5.535   46.667   39.524
LGA    S   102_A      S   102_A     2.314     0    0.170   0.176     2.697   71.190   67.778
LGA    K   103_A      K   103_A     0.432     0    0.075   0.072     1.450   88.333   88.571
LGA    K   104_A      K   104_A     2.193     4    0.177   0.169     3.129   70.833   37.037
LGA    G   105_A      G   105_A     1.030     0    0.114   0.114     1.439   85.952   85.952
LGA    K   106_A      K   106_A     1.040     0    0.022   0.991     4.850   88.214   72.698
LGA    D   107_A      D   107_A     0.592     0    0.104   0.205     1.373   90.476   88.214
LGA    L   108_A      L   108_A     0.726     0    0.026   1.436     4.402   90.476   72.857
LGA    A   109_A      A   109_A     0.681     0    0.089   0.100     0.825   90.476   90.476
LGA    K   110_A      K   110_A     0.775     0    0.037   1.243     4.496   90.476   72.963
LGA    V   111_A      V   111_A     0.570     0    0.068   0.893     2.229   90.476   84.286
LGA    W   112_A      W   112_A     0.471     0    0.021   0.134     0.986   95.238   93.878
LGA    D   113_A      D   113_A     0.518     0    0.040   0.221     1.301   90.476   91.726
LGA    E   114_A      E   114_A     0.704     0    0.067   0.170     1.001   90.476   89.471
LGA    C   115_A      C   115_A     0.556     0    0.017   0.040     0.796   92.857   92.063
LGA    F   116_A      F   116_A     0.864     0    0.033   0.097     1.461   88.214   84.719
LGA    K   117_A      K   117_A     1.155     0    0.017   0.639     2.196   83.690   77.725
LGA    K   118_A      K   118_A     0.832     0    0.021   0.088     0.921   90.476   90.476
LGA    N   119_A      N   119_A     0.669     0    0.020   0.085     0.966   90.476   91.667
LGA    R   120_A      R   120_A     1.136     6    0.019   0.025     1.366   83.690   37.835
LGA    V   121_A      V   121_A     0.413     0    0.119   1.154     2.738   90.595   83.265
LGA    L   122_A      L   122_A     1.435     0    0.027   0.105     2.284   77.381   79.464
LGA    Q   123_A      Q   123_A     2.611     0    0.658   0.929     5.743   52.857   46.190
LGA    H   124_A      H   124_A     4.734     0    0.510   1.171    12.282   51.071   22.048
LGA    G   125_A      G   125_A     3.173     0    0.208   0.208     6.058   38.929   38.929
LGA    S   126_A      S   126_A     8.606     0    0.100   0.284    10.262    5.119    4.444

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      105     420    420  100.00     864    864  100.00               105
SUMMARY(RMSD_GDC):     1.651          1.649                  2.319           83.788   77.003

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  125  105    4.0    103    1.37    88.333    94.073     7.027

LGA_LOCAL      RMSD:   1.366  Number of atoms:  103  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.658  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   1.651  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.312266 * X  +  -0.949500 * Y  +   0.030657 * Z  +   2.899936
  Y_new =  -0.677898 * X  +   0.245319 * Y  +   0.693017 * Z  + -22.851870
  Z_new =  -0.665541 * X  +   0.195623 * Y  +  -0.720269 * Z  +  13.195068 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.002462  0.728218  2.876392   [DEG: -114.7326   41.7238  164.8051 ]
ZXZ:  3.097384  2.374986 -1.284917   [DEG:  177.4670  136.0767  -73.6203 ]
 
# END of job
