
#######################################################
#                                                     #
#                        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  128 ( 1049),  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       2.04     2.04
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      22_A - 125_A       1.84     2.05
  LCS_AVERAGE:     98.14

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    68      22_A - 89_A        0.90     2.26
  LONGEST_CONTINUOUS_SEGMENT:    68      23_A - 90_A        0.98     2.24
  LCS_AVERAGE:     46.59

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     68  104  105      3   11   39   63   89   97  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    23_A     K    23_A     68  104  105     24   67   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     V    24_A     V    24_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     H    25_A     H    25_A     68  104  105     36   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     I    26_A     I    26_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     I    27_A     I    27_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    28_A     K    28_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     C    29_A     C    29_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     H    30_A     H    30_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     F    31_A     F    31_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     D    32_A     D    32_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    33_A     K    33_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     C    34_A     C    34_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     N    35_A     N    35_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    36_A     K    36_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     S    37_A     S    37_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     Y    38_A     Y    38_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     N    39_A     N    39_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     W    40_A     W    40_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     R    41_A     R    41_A     68  104  105     39   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    42_A     K    42_A     68  104  105     36   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    43_A     K    43_A     68  104  105     35   70   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     Y    44_A     Y    44_A     68  104  105     35   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     G    45_A     G    45_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    46_A     K    46_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     L    47_A     L    47_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     R    48_A     R    48_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     L    49_A     L    49_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     V    50_A     V    50_A     68  104  105     39   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     D    51_A     D    51_A     68  104  105     39   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     H    52_A     H    52_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     A    53_A     A    53_A     68  104  105     39   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     F    54_A     F    54_A     68  104  105     23   69   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     T    55_A     T    55_A     68  104  105     35   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     H    56_A     H    56_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     V    57_A     V    57_A     68  104  105     31   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     P    58_A     P    58_A     68  104  105      3    7   13   79   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     H    59_A     H    59_A     68  104  105     36   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     L    60_A     L    60_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    61_A     K    61_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     M    62_A     M    62_A     68  104  105     32   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    63_A     K    63_A     68  104  105     32   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     C    64_A     C    64_A     68  104  105     27   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     N    65_A     N    65_A     68  104  105     26   58   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     F    66_A     F    66_A     68  104  105     27   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     C    67_A     C    67_A     68  104  105     27   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     D    68_A     D    68_A     68  104  105     27   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     Y    69_A     Y    69_A     68  104  105     31   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     M    70_A     M    70_A     68  104  105     32   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     C    71_A     C    71_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    72_A     K    72_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     G    73_A     G    73_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     I    74_A     I    74_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     R    75_A     R    75_A     68  104  105     40   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     N    76_A     N    76_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     I    77_A     I    77_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     R    78_A     R    78_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     L    79_A     L    79_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     H    80_A     H    80_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     H    81_A     H    81_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    82_A     K    82_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    83_A     K    83_A     68  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     S    84_A     S    84_A     68  104  105     40   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     H    85_A     H    85_A     68  104  105     37   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     P    86_A     P    86_A     68  104  105     26   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     D    87_A     D    87_A     68  104  105      7   39   75   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     E    88_A     E    88_A     68  104  105     27   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     Q    89_A     Q    89_A     68  104  105      5   12   49   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     L    90_A     L    90_A     68  104  105      3    3    6   17   31   49   99  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     T    91_A     T    91_A      4  104  105      3   21   75   89   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     G    92_A     G    92_A      4  104  105      3   21   44   75   93   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     F    93_A     F    93_A      9  104  105      5   32   68   80   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     G    94_A     G    94_A      9  104  105      5   32   71   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     I    95_A     I    95_A      9  104  105     11   53   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    96_A     K    96_A      9  104  105     15   57   80   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     S    97_A     S    97_A      9  104  105     16   53   72   87   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     V    98_A     V    98_A      9  104  105      3   53   72   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     V    99_A     V    99_A      9  104  105      5   45   72   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     R   100_A     R   100_A      9  104  105      4   44   67   82   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     T   101_A     T   101_A      9  104  105      4    7   47   67   89   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     S   102_A     S   102_A      6  104  105      4    6   18   65   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K   103_A     K   103_A      6  104  105      4   36   75   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K   104_A     K   104_A      4  104  105      3    5    5   27   74   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     G   105_A     G   105_A      4  104  105      3    3    5    5    6    7   12   18   41   62   79   92  104  105  105  105  105  105  105  105 
LCS_GDT     K   106_A     K   106_A      4  104  105      3    4   12   18   44   68   96  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     D   107_A     D   107_A     18  104  105     31   70   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     L   108_A     L   108_A     18  104  105     10   59   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     A   109_A     A   109_A     18  104  105     36   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K   110_A     K   110_A     18  104  105     37   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     V   111_A     V   111_A     18  104  105     36   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     W   112_A     W   112_A     18  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     D   113_A     D   113_A     18  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     E   114_A     E   114_A     18  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     C   115_A     C   115_A     18  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     F   116_A     F   116_A     18  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K   117_A     K   117_A     18  104  105     24   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K   118_A     K   118_A     18  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     N   119_A     N   119_A     18  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     R   120_A     R   120_A     18  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     V   121_A     V   121_A     18  104  105     42   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     L   122_A     L   122_A     18  104  105     36   72   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     Q   123_A     Q   123_A     18  104  105     16   63   82   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     H   124_A     H   124_A     18  104  105      3    5   70   90   95   98  100  101  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     G   125_A     G   125_A      4  104  105      3    3    4    4   18   71   87  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     S   126_A     S   126_A      4    4  105      3    3    4    4    4    5    7   54   63   83   92  102  104  105  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  81.58  (  46.59   98.14  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     42     72     82     90     95     98    100    101    103    103    103    103    104    105    105    105    105    105    105    105 
GDT PERCENT_AT  40.00  68.57  78.10  85.71  90.48  93.33  95.24  96.19  98.10  98.10  98.10  98.10  99.05 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.57   0.71   0.95   1.11   1.27   1.36   1.42   1.61   1.61   1.61   1.61   1.84   2.04   2.04   2.04   2.04   2.04   2.04   2.04
GDT RMS_ALL_AT   2.18   2.25   2.20   2.14   2.10   2.08   2.07   2.07   2.05   2.05   2.05   2.05   2.05   2.04   2.04   2.04   2.04   2.04   2.04   2.04

# 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   107_A      D   107_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     3.335     0    0.320   0.989     5.601   57.738   47.083
LGA    K    23_A      K    23_A     1.098     0    0.139   0.766     4.232   81.548   71.164
LGA    V    24_A      V    24_A     0.337     0    0.023   0.048     0.684   95.238   97.279
LGA    H    25_A      H    25_A     0.608     0    0.043   0.081     1.265   92.857   88.714
LGA    I    26_A      I    26_A     0.555     0    0.009   1.243     3.178   90.476   78.036
LGA    I    27_A      I    27_A     0.511     0    0.033   0.071     0.705   92.857   92.857
LGA    K    28_A      K    28_A     0.555     0    0.011   0.101     1.376   92.857   89.524
LGA    C    29_A      C    29_A     0.545     0    0.033   0.084     0.988   90.476   90.476
LGA    H    30_A      H    30_A     0.802     0    0.009   0.149     1.053   88.214   91.476
LGA    F    31_A      F    31_A     0.957     0    0.039   0.054     1.041   90.476   85.541
LGA    D    32_A      D    32_A     0.978     0    0.032   0.412     1.509   85.952   84.881
LGA    K    33_A      K    33_A     0.948     0    0.040   0.870     4.027   90.476   76.296
LGA    C    34_A      C    34_A     0.971     0    0.124   0.135     1.050   90.476   88.968
LGA    N    35_A      N    35_A     0.682     0    0.022   0.196     1.425   90.476   89.345
LGA    K    36_A      K    36_A     0.527     0    0.041   0.601     2.591   90.476   79.259
LGA    S    37_A      S    37_A     0.553     0    0.032   0.065     0.882   92.857   92.063
LGA    Y    38_A      Y    38_A     0.367     0    0.069   0.142     1.139  100.000   93.690
LGA    N    39_A      N    39_A     0.149     0    0.098   0.535     1.897  100.000   95.417
LGA    W    40_A      W    40_A     0.380     0    0.010   0.077     0.688  100.000   97.279
LGA    R    41_A      R    41_A     0.736     0    0.041   1.052     4.168   88.214   79.307
LGA    K    42_A      K    42_A     1.104     0    0.013   0.760     3.431   83.690   77.037
LGA    K    43_A      K    43_A     1.470     0    0.027   0.834     7.536   79.286   57.619
LGA    Y    44_A      Y    44_A     1.159     0    0.131   0.166     1.523   81.429   81.508
LGA    G    45_A      G    45_A     0.713     0    0.029   0.029     0.977   95.238   95.238
LGA    K    46_A      K    46_A     0.243     0    0.056   0.540     1.688  100.000   92.804
LGA    L    47_A      L    47_A     0.192     0    0.018   0.143     0.652  100.000   97.619
LGA    R    48_A      R    48_A     0.117     0    0.034   0.997     4.983  100.000   74.545
LGA    L    49_A      L    49_A     0.204     0    0.015   0.040     0.297  100.000  100.000
LGA    V    50_A      V    50_A     0.523     0    0.020   0.053     0.622   92.857   91.837
LGA    D    51_A      D    51_A     0.541     0    0.034   0.198     1.129   95.238   90.595
LGA    H    52_A      H    52_A     0.130     0    0.047   0.147     1.371  100.000   91.619
LGA    A    53_A      A    53_A     0.720     0    0.023   0.035     0.922   92.857   92.381
LGA    F    54_A      F    54_A     0.941     0    0.026   0.828     4.796   90.476   70.952
LGA    T    55_A      T    55_A     0.593     0    0.049   0.079     1.002   97.619   93.265
LGA    H    56_A      H    56_A     0.371     0    0.062   0.180     1.183   97.619   90.619
LGA    V    57_A      V    57_A     0.634     0    0.238   0.213     1.530   86.190   90.748
LGA    P    58_A      P    58_A     2.839     0    0.679   0.628     4.326   55.952   53.469
LGA    H    59_A      H    59_A     1.028     0    0.131   1.061     7.222   85.952   54.619
LGA    L    60_A      L    60_A     1.168     0    0.059   0.134     2.125   79.286   76.131
LGA    K    61_A      K    61_A     0.940     0    0.012   0.908     2.477   90.476   84.656
LGA    M    62_A      M    62_A     1.151     0    0.017   0.830     3.513   81.429   76.667
LGA    K    63_A      K    63_A     1.252     0    0.029   1.091     7.676   81.429   58.307
LGA    C    64_A      C    64_A     1.305     0    0.047   0.107     1.864   77.143   78.571
LGA    N    65_A      N    65_A     1.844     0    0.076   0.170     2.504   72.857   67.857
LGA    F    66_A      F    66_A     1.443     0    0.014   0.136     1.737   79.286   78.312
LGA    C    67_A      C    67_A     1.474     0    0.056   0.089     1.526   79.286   80.000
LGA    D    68_A      D    68_A     1.661     0    0.039   0.311     3.002   75.000   69.048
LGA    Y    69_A      Y    69_A     1.150     0    0.045   0.050     1.236   81.429   88.254
LGA    M    70_A      M    70_A     1.159     0    0.099   0.240     2.391   81.429   77.202
LGA    C    71_A      C    71_A     0.848     0    0.084   0.123     1.038   88.214   88.968
LGA    K    72_A      K    72_A     0.410     0    0.035   0.682     2.170   97.619   90.053
LGA    G    73_A      G    73_A     0.556     0    0.069   0.069     0.556   95.238   95.238
LGA    I    74_A      I    74_A     0.313     0    0.030   0.071     0.669  100.000   97.619
LGA    R    75_A      R    75_A     0.681     0    0.020   1.354     6.646   90.476   68.788
LGA    N    76_A      N    76_A     0.593     0    0.041   0.109     0.944   95.238   92.857
LGA    I    77_A      I    77_A     0.108     0    0.035   0.066     0.514  100.000   98.810
LGA    R    78_A      R    78_A     0.522     0    0.023   0.300     1.441   92.857   88.874
LGA    L    79_A      L    79_A     0.645     0    0.031   1.395     4.230   92.857   75.774
LGA    H    80_A      H    80_A     0.250     0    0.077   0.173     1.143  100.000   94.381
LGA    H    81_A      H    81_A     0.278     0    0.044   1.353     5.807  100.000   70.619
LGA    K    82_A      K    82_A     0.550     0    0.084   0.552     2.618   95.238   88.889
LGA    K    83_A      K    83_A     0.510     0    0.044   0.364     2.712   97.619   85.079
LGA    S    84_A      S    84_A     0.593     0    0.009   0.041     0.799   92.857   92.063
LGA    H    85_A      H    85_A     0.741     0    0.023   0.134     1.038   90.595   87.810
LGA    P    86_A      P    86_A     1.037     0    0.092   0.099     1.921   79.405   86.871
LGA    D    87_A      D    87_A     2.116     0    0.021   1.140     5.884   68.810   53.750
LGA    E    88_A      E    88_A     1.301     0    0.181   0.255     2.819   79.286   74.974
LGA    Q    89_A      Q    89_A     2.121     0    0.633   0.979     8.356   63.095   39.894
LGA    L    90_A      L    90_A     4.288     0    0.202   1.435    11.571   43.690   23.869
LGA    T    91_A      T    91_A     2.464     0    0.061   0.844     5.564   68.810   50.748
LGA    G    92_A      G    92_A     3.160     0    0.079   0.079     3.469   65.714   65.714
LGA    F    93_A      F    93_A     2.520     0    0.551   1.358     5.135   69.048   50.130
LGA    G    94_A      G    94_A     1.776     0    0.025   0.025     2.057   70.833   70.833
LGA    I    95_A      I    95_A     1.250     0    0.097   1.077     3.474   81.429   79.762
LGA    K    96_A      K    96_A     1.590     0    0.245   0.685     4.974   71.071   61.376
LGA    S    97_A      S    97_A     2.187     0    0.167   0.213     2.523   66.786   64.841
LGA    V    98_A      V    98_A     1.927     0    0.037   0.048     2.073   70.833   71.701
LGA    V    99_A      V    99_A     1.791     0    0.047   0.049     2.074   72.857   70.544
LGA    R   100_A      R   100_A     2.608     0    0.026   0.887     5.672   53.810   44.892
LGA    T   101_A      T   101_A     3.953     0    0.036   0.998     7.180   43.452   37.891
LGA    S   102_A      S   102_A     3.496     0    0.358   0.358     3.849   48.333   47.778
LGA    K   103_A      K   103_A     2.217     0    0.233   0.269     5.765   57.262   52.275
LGA    K   104_A      K   104_A     4.108     4    0.429   0.430     5.497   34.881   19.630
LGA    G   105_A      G   105_A     9.408     0    0.076   0.076     9.562    3.690    3.690
LGA    K   106_A      K   106_A     6.541     0    0.616   1.077    15.840   21.667   10.159
LGA    D   107_A      D   107_A     1.311     0    0.635   1.222     6.622   83.810   55.774
LGA    L   108_A      L   108_A     1.085     0    0.067   1.419     4.703   85.952   66.071
LGA    A   109_A      A   109_A     0.616     0    0.076   0.087     0.839   90.476   90.476
LGA    K   110_A      K   110_A     0.389     0    0.027   0.734     2.152  100.000   88.254
LGA    V   111_A      V   111_A     0.409     0    0.037   0.897     2.212   97.619   89.728
LGA    W   112_A      W   112_A     0.459     0    0.014   0.079     1.034   95.238   91.224
LGA    D   113_A      D   113_A     0.656     0    0.048   0.249     0.983   90.476   90.476
LGA    E   114_A      E   114_A     0.701     0    0.060   0.195     1.018   88.214   89.471
LGA    C   115_A      C   115_A     0.673     0    0.024   0.035     0.882   90.476   90.476
LGA    F   116_A      F   116_A     0.835     0    0.059   0.107     1.180   90.476   88.009
LGA    K   117_A      K   117_A     0.807     0    0.021   0.657     2.558   90.476   83.915
LGA    K   118_A      K   118_A     0.574     0    0.027   0.098     0.667   90.476   91.534
LGA    N   119_A      N   119_A     0.517     0    0.058   0.080     0.581   90.476   94.048
LGA    R   120_A      R   120_A     0.667     6    0.032   0.031     0.785   90.476   41.126
LGA    V   121_A      V   121_A     0.725     0    0.062   1.193     3.218   90.476   79.932
LGA    L   122_A      L   122_A     0.709     0    0.036   0.097     1.180   90.476   90.536
LGA    Q   123_A      Q   123_A     1.181     0    0.615   0.692     3.624   72.024   73.492
LGA    H   124_A      H   124_A     2.094     0    0.502   1.246     9.697   73.214   35.667
LGA    G   125_A      G   125_A     4.858     0    0.070   0.070     8.921   26.190   26.190
LGA    S   126_A      S   126_A     9.604     0    0.245   0.717    10.793    2.619    1.984

# 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):     2.040          2.020                  2.626           81.984   75.197

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0    101    1.42    87.619    92.564     6.636

LGA_LOCAL      RMSD:   1.422  Number of atoms:  101  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.073  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   2.040  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.359620 * X  +  -0.165015 * Y  +   0.918392 * Z  +   5.108784
  Y_new =  -0.914395 * X  +  -0.258402 * Y  +   0.311625 * Z  + -24.352734
  Z_new =   0.185892 * X  +  -0.951840 * Y  +  -0.243815 * Z  +  11.202152 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.196090 -0.186979 -1.821556   [DEG:  -68.5309  -10.7131 -104.3675 ]
ZXZ:  1.897922  1.817094  2.948723   [DEG:  108.7429  104.1118  168.9494 ]
 
# END of job
