
#######################################################
#                                                     #
#                        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       1.97     1.97
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105      22_A - 126_A       1.97     1.97
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    68      22_A - 89_A        0.93     2.14
  LCS_AVERAGE:     46.57

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  105  105      3   11   52   72   90   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    23_A     K    23_A     68  105  105     28   65   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    24_A     V    24_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    25_A     H    25_A     68  105  105     35   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    26_A     I    26_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    27_A     I    27_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    28_A     K    28_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    29_A     C    29_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    30_A     H    30_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F    31_A     F    31_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D    32_A     D    32_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    33_A     K    33_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    34_A     C    34_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N    35_A     N    35_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    36_A     K    36_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S    37_A     S    37_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Y    38_A     Y    38_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N    39_A     N    39_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     W    40_A     W    40_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R    41_A     R    41_A     68  105  105     35   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    42_A     K    42_A     68  105  105     33   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    43_A     K    43_A     68  105  105     33   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Y    44_A     Y    44_A     68  105  105     33   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G    45_A     G    45_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    46_A     K    46_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    47_A     L    47_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R    48_A     R    48_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    49_A     L    49_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    50_A     V    50_A     68  105  105     36   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D    51_A     D    51_A     68  105  105     36   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    52_A     H    52_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     A    53_A     A    53_A     68  105  105     33   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F    54_A     F    54_A     68  105  105     32   64   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     T    55_A     T    55_A     68  105  105     35   68   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    56_A     H    56_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    57_A     V    57_A     68  105  105     33   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     P    58_A     P    58_A     68  105  105      3   15   36   80   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    59_A     H    59_A     68  105  105     23   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    60_A     L    60_A     68  105  105     35   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    61_A     K    61_A     68  105  105     36   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     M    62_A     M    62_A     68  105  105     28   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    63_A     K    63_A     68  105  105     28   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    64_A     C    64_A     68  105  105     28   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N    65_A     N    65_A     68  105  105     26   50   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F    66_A     F    66_A     68  105  105     28   68   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    67_A     C    67_A     68  105  105     28   68   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D    68_A     D    68_A     68  105  105     28   51   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Y    69_A     Y    69_A     68  105  105     28   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     M    70_A     M    70_A     68  105  105     28   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C    71_A     C    71_A     68  105  105     33   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    72_A     K    72_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G    73_A     G    73_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    74_A     I    74_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R    75_A     R    75_A     68  105  105     36   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N    76_A     N    76_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    77_A     I    77_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R    78_A     R    78_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    79_A     L    79_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    80_A     H    80_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    81_A     H    81_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    82_A     K    82_A     68  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    83_A     K    83_A     68  105  105     30   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S    84_A     S    84_A     68  105  105     28   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H    85_A     H    85_A     68  105  105     33   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     P    86_A     P    86_A     68  105  105     28   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D    87_A     D    87_A     68  105  105      7   50   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     E    88_A     E    88_A     68  105  105     28   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Q    89_A     Q    89_A     68  105  105      4    8   57   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L    90_A     L    90_A     67  105  105      3    3    5   16   29   74   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     T    91_A     T    91_A      4  105  105      3   47   66   87   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G    92_A     G    92_A      4  105  105      3   30   42   81   91   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F    93_A     F    93_A      9  105  105      5   36   64   79   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G    94_A     G    94_A      9  105  105      5   42   72   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     I    95_A     I    95_A      9  105  105      8   57   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K    96_A     K    96_A      9  105  105      9   46   73   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S    97_A     S    97_A      9  105  105     21   49   69   79   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    98_A     V    98_A      9  105  105      4   53   71   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V    99_A     V    99_A      9  105  105     11   53   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R   100_A     R   100_A      9  105  105      4   40   66   79   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     T   101_A     T   101_A      9  105  105      4    7   24   59   75   95   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S   102_A     S   102_A      6  105  105      4    5    9   35   76   95   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   103_A     K   103_A      4  105  105      3    4    4    8   83   93   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   104_A     K   104_A      4  105  105      3    4    5   22   64   91   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G   105_A     G   105_A      4  105  105      3    4    4    5    6   26   37   69   84  102  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   106_A     K   106_A      4  105  105      3    3    4    4    6   31   89   99  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D   107_A     D   107_A     18  105  105     33   65   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L   108_A     L   108_A     18  105  105     13   63   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     A   109_A     A   109_A     18  105  105     36   68   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   110_A     K   110_A     18  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V   111_A     V   111_A     18  105  105     36   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     W   112_A     W   112_A     18  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     D   113_A     D   113_A     18  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     E   114_A     E   114_A     18  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     C   115_A     C   115_A     18  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     F   116_A     F   116_A     18  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   117_A     K   117_A     18  105  105     28   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     K   118_A     K   118_A     18  105  105     38   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     N   119_A     N   119_A     18  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     R   120_A     R   120_A     18  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     V   121_A     V   121_A     18  105  105     41   69   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     L   122_A     L   122_A     18  105  105     30   68   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     Q   123_A     Q   123_A     18  105  105     11   59   80   88   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     H   124_A     H   124_A     18  105  105      3    4   27   87   93   96   98  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     G   125_A     G   125_A      4  105  105      3    4    4    4   13   56   95  101  102  103  104  104  104  105  105  105  105  105  105  105 
LCS_GDT     S   126_A     S   126_A      4  105  105      3    4    4    4    4    4    6    8   10   11   94  102  104  105  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  82.19  (  46.57  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     41     69     80     88     93     96     98    101    102    103    104    104    104    105    105    105    105    105    105    105 
GDT PERCENT_AT  39.05  65.71  76.19  83.81  88.57  91.43  93.33  96.19  97.14  98.10  99.05  99.05  99.05 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.60   0.73   0.92   1.10   1.20   1.29   1.47   1.53   1.65   1.77   1.77   1.77   1.97   1.97   1.97   1.97   1.97   1.97   1.97
GDT RMS_ALL_AT   2.05   2.09   2.08   2.04   2.01   2.01   2.02   2.01   2.00   1.99   1.98   1.98   1.98   1.97   1.97   1.97   1.97   1.97   1.97   1.97

# 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     3.167     0    0.332   0.951     5.262   59.405   49.286
LGA    K    23_A      K    23_A     1.246     0    0.137   0.780     4.521   79.286   68.519
LGA    V    24_A      V    24_A     0.505     0    0.016   0.035     0.995   90.476   94.558
LGA    H    25_A      H    25_A     0.810     0    0.040   0.064     1.413   90.476   85.952
LGA    I    26_A      I    26_A     0.737     0    0.009   1.259     3.403   90.476   78.036
LGA    I    27_A      I    27_A     0.583     0    0.029   0.076     0.753   90.476   90.476
LGA    K    28_A      K    28_A     0.595     0    0.012   0.111     1.610   92.857   87.566
LGA    C    29_A      C    29_A     0.497     0    0.037   0.090     0.917   92.857   93.651
LGA    H    30_A      H    30_A     0.633     0    0.008   0.164     0.866   90.476   94.286
LGA    F    31_A      F    31_A     0.723     0    0.030   0.039     0.858   90.476   90.476
LGA    D    32_A      D    32_A     0.713     0    0.038   0.405     1.014   90.476   90.536
LGA    K    33_A      K    33_A     0.631     0    0.037   0.884     3.740   90.476   80.741
LGA    C    34_A      C    34_A     0.798     0    0.127   0.133     0.864   90.476   90.476
LGA    N    35_A      N    35_A     0.728     0    0.021   0.161     1.314   90.476   87.083
LGA    K    36_A      K    36_A     0.682     0    0.044   0.597     2.941   90.476   79.259
LGA    S    37_A      S    37_A     0.705     0    0.029   0.054     0.925   90.476   90.476
LGA    Y    38_A      Y    38_A     0.499     0    0.065   0.120     1.318   95.238   89.802
LGA    N    39_A      N    39_A     0.226     0    0.102   0.240     1.015  100.000   97.679
LGA    W    40_A      W    40_A     0.342     0    0.012   0.088     0.781  100.000   96.599
LGA    R    41_A      R    41_A     0.716     0    0.050   1.005     4.037   88.214   77.489
LGA    K    42_A      K    42_A     1.099     0    0.013   0.873     3.990   83.690   76.296
LGA    K    43_A      K    43_A     1.271     0    0.033   0.830     7.176   81.429   60.370
LGA    Y    44_A      Y    44_A     1.082     0    0.137   0.184     1.922   83.690   79.325
LGA    G    45_A      G    45_A     0.699     0    0.027   0.027     0.953   90.476   90.476
LGA    K    46_A      K    46_A     0.177     0    0.037   0.554     1.545  100.000   93.862
LGA    L    47_A      L    47_A     0.223     0    0.026   0.148     0.615  100.000   97.619
LGA    R    48_A      R    48_A     0.213     0    0.022   1.108     4.225  100.000   80.779
LGA    L    49_A      L    49_A     0.239     0    0.011   0.045     0.327  100.000  100.000
LGA    V    50_A      V    50_A     0.588     0    0.022   0.041     0.726   92.857   91.837
LGA    D    51_A      D    51_A     0.697     0    0.027   0.090     1.159   90.476   88.214
LGA    H    52_A      H    52_A     0.156     0    0.051   0.157     1.120  100.000   94.381
LGA    A    53_A      A    53_A     0.622     0    0.018   0.026     0.793   92.857   92.381
LGA    F    54_A      F    54_A     1.076     0    0.018   0.803     4.701   85.952   68.528
LGA    T    55_A      T    55_A     0.741     0    0.064   0.082     1.175   95.238   91.905
LGA    H    56_A      H    56_A     0.198     0    0.068   0.225     0.949  100.000   97.143
LGA    V    57_A      V    57_A     0.584     0    0.239   0.219     1.366   88.333   91.973
LGA    P    58_A      P    58_A     2.831     0    0.667   0.621     4.408   54.048   52.381
LGA    H    59_A      H    59_A     0.889     0    0.054   0.967     6.776   88.214   56.857
LGA    L    60_A      L    60_A     0.981     0    0.072   0.083     1.983   83.810   79.405
LGA    K    61_A      K    61_A     0.794     0    0.031   0.903     2.458   90.476   84.656
LGA    M    62_A      M    62_A     1.135     0    0.024   0.999     3.343   81.429   76.429
LGA    K    63_A      K    63_A     1.256     0    0.025   1.072     7.527   81.429   58.783
LGA    C    64_A      C    64_A     1.351     0    0.060   0.137     1.989   77.143   78.571
LGA    N    65_A      N    65_A     1.903     0    0.071   0.158     2.522   72.857   67.857
LGA    F    66_A      F    66_A     1.508     0    0.015   0.152     1.742   75.000   75.974
LGA    C    67_A      C    67_A     1.597     0    0.053   0.092     1.671   72.857   72.857
LGA    D    68_A      D    68_A     1.858     0    0.040   0.314     3.254   72.857   65.060
LGA    Y    69_A      Y    69_A     1.282     0    0.048   0.055     1.389   81.429   85.992
LGA    M    70_A      M    70_A     1.262     0    0.114   0.380     3.215   81.429   75.357
LGA    C    71_A      C    71_A     0.835     0    0.067   0.092     0.970   90.476   90.476
LGA    K    72_A      K    72_A     0.291     0    0.029   0.679     2.093   97.619   90.053
LGA    G    73_A      G    73_A     0.338     0    0.047   0.047     0.338  100.000  100.000
LGA    I    74_A      I    74_A     0.455     0    0.033   0.063     0.849  100.000   95.238
LGA    R    75_A      R    75_A     0.757     0    0.017   1.342     6.354   90.476   72.597
LGA    N    76_A      N    76_A     0.600     0    0.042   0.100     0.807   95.238   92.857
LGA    I    77_A      I    77_A     0.234     0    0.029   0.054     0.463  100.000  100.000
LGA    R    78_A      R    78_A     0.620     0    0.022   0.299     1.710   92.857   88.095
LGA    L    79_A      L    79_A     0.735     0    0.025   0.105     1.393   90.476   89.345
LGA    H    80_A      H    80_A     0.398     0    0.077   0.184     1.072   97.619   94.333
LGA    H    81_A      H    81_A     0.271     0    0.037   1.314     5.718  100.000   71.190
LGA    K    82_A      K    82_A     0.514     0    0.087   0.540     2.092   92.857   89.735
LGA    K    83_A      K    83_A     0.697     0    0.042   0.354     2.935   90.476   80.952
LGA    S    84_A      S    84_A     0.712     0    0.013   0.039     0.916   90.476   90.476
LGA    H    85_A      H    85_A     0.614     0    0.030   0.141     1.109   92.857   88.714
LGA    P    86_A      P    86_A     0.779     0    0.096   0.101     1.620   86.190   90.748
LGA    D    87_A      D    87_A     1.868     0    0.018   1.109     5.733   72.976   55.833
LGA    E    88_A      E    88_A     1.146     0    0.172   0.229     2.764   85.952   78.942
LGA    Q    89_A      Q    89_A     1.836     0    0.630   1.016     8.622   69.048   44.550
LGA    L    90_A      L    90_A     4.206     0    0.186   1.411    11.533   43.690   23.869
LGA    T    91_A      T    91_A     2.259     0    0.042   0.848     5.379   68.810   52.993
LGA    G    92_A      G    92_A     2.973     0    0.036   0.036     3.349   67.500   67.500
LGA    F    93_A      F    93_A     2.609     0    0.533   1.401     5.611   69.048   46.364
LGA    G    94_A      G    94_A     1.893     0    0.042   0.042     2.164   70.833   70.833
LGA    I    95_A      I    95_A     1.332     0    0.077   1.078     3.615   79.286   77.976
LGA    K    96_A      K    96_A     2.143     0    0.200   0.680     5.705   61.190   51.905
LGA    S    97_A      S    97_A     2.800     0    0.167   0.629     5.000   59.048   52.937
LGA    V    98_A      V    98_A     2.141     0    0.015   0.041     2.430   66.786   68.231
LGA    V    99_A      V    99_A     1.599     0    0.035   0.048     1.798   72.857   72.857
LGA    R   100_A      R   100_A     2.978     0    0.184   0.636     6.668   50.595   35.844
LGA    T   101_A      T   101_A     4.419     0    0.133   1.028     8.225   37.262   30.340
LGA    S   102_A      S   102_A     3.724     0    0.654   0.778     4.086   45.119   45.635
LGA    K   103_A      K   103_A     3.693     0    0.045   0.096    14.576   60.238   29.683
LGA    K   104_A      K   104_A     3.428     4    0.136   0.140     5.911   45.357   23.069
LGA    G   105_A      G   105_A     6.964     0    0.217   0.217     8.803   14.405   14.405
LGA    K   106_A      K   106_A     6.737     0    0.562   1.049    13.521   21.905   10.053
LGA    D   107_A      D   107_A     1.145     0    0.524   1.374     5.948   82.262   61.190
LGA    L   108_A      L   108_A     1.106     0    0.119   1.430     4.973   85.952   66.845
LGA    A   109_A      A   109_A     0.548     0    0.065   0.071     0.762   95.238   94.286
LGA    K   110_A      K   110_A     0.237     0    0.050   1.267     5.309  100.000   75.026
LGA    V   111_A      V   111_A     0.368     0    0.048   0.899     2.406  100.000   91.088
LGA    W   112_A      W   112_A     0.177     0    0.014   0.080     0.819  100.000   93.878
LGA    D   113_A      D   113_A     0.392     0    0.046   0.272     0.840   97.619   96.429
LGA    E   114_A      E   114_A     0.512     0    0.071   0.172     0.922   92.857   91.534
LGA    C   115_A      C   115_A     0.480     0    0.018   0.041     0.728   95.238   93.651
LGA    F   116_A      F   116_A     0.707     0    0.050   0.105     0.981   90.476   90.476
LGA    K   117_A      K   117_A     0.725     0    0.024   0.656     2.375   90.476   84.762
LGA    K   118_A      K   118_A     0.398     0    0.027   0.117     0.544   97.619   98.942
LGA    N   119_A      N   119_A     0.426     0    0.052   0.082     0.519  100.000   98.810
LGA    R   120_A      R   120_A     0.444     6    0.042   0.044     0.473  100.000   45.455
LGA    V   121_A      V   121_A     0.558     0    0.072   1.176     3.092   92.857   81.293
LGA    L   122_A      L   122_A     0.786     0    0.044   0.109     1.200   88.214   89.405
LGA    Q   123_A      Q   123_A     1.544     0    0.607   0.874     3.831   65.595   61.323
LGA    H   124_A      H   124_A     2.542     0    0.610   1.256    10.222   71.310   33.952
LGA    G   125_A      G   125_A     4.659     0    0.026   0.026     8.779   26.190   26.190
LGA    S   126_A      S   126_A     9.516     0    0.511   0.772    11.613    3.452    3.175

# 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):     1.975          1.970                  2.712           82.252   75.186

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0    101    1.47    86.429    92.201     6.453

LGA_LOCAL      RMSD:   1.465  Number of atoms:  101  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.007  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   1.975  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.181198 * X  +  -0.949552 * Y  +   0.255966 * Z  +   4.396259
  Y_new =  -0.786514 * X  +   0.296169 * Y  +   0.541921 * Z  + -24.946394
  Z_new =  -0.590392 * X  +  -0.103126 * Y  +  -0.800501 * Z  +  13.213481 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.797226  0.631544 -3.013472   [DEG: -102.9735   36.1848 -172.6592 ]
ZXZ:  2.700325  2.498928 -1.743726   [DEG:  154.7172  143.1780  -99.9081 ]
 
# END of job
