
#######################################################
#                                                     #
#                        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       2.08     2.08
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      22_A - 125_A       1.88     2.09
  LCS_AVERAGE:     98.14

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    68      22_A - 89_A        0.96     2.28
  LCS_AVERAGE:     46.21

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   10   62   81   88   96   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    23_A     K    23_A     68  104  105     28   67   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     V    24_A     V    24_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     H    25_A     H    25_A     68  104  105     33   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     I    26_A     I    26_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     I    27_A     I    27_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    28_A     K    28_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     C    29_A     C    29_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     H    30_A     H    30_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     F    31_A     F    31_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     D    32_A     D    32_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    33_A     K    33_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     C    34_A     C    34_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     N    35_A     N    35_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    36_A     K    36_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     S    37_A     S    37_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     Y    38_A     Y    38_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     N    39_A     N    39_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     W    40_A     W    40_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     R    41_A     R    41_A     68  104  105     34   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    42_A     K    42_A     68  104  105     34   71   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    43_A     K    43_A     68  104  105     34   71   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     Y    44_A     Y    44_A     68  104  105     34   71   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     G    45_A     G    45_A     68  104  105     35   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    46_A     K    46_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     L    47_A     L    47_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     R    48_A     R    48_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     L    49_A     L    49_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     V    50_A     V    50_A     68  104  105     35   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     D    51_A     D    51_A     68  104  105     34   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     H    52_A     H    52_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     A    53_A     A    53_A     68  104  105     34   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     F    54_A     F    54_A     68  104  105     31   65   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     T    55_A     T    55_A     68  104  105     33   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     H    56_A     H    56_A     68  104  105     41   72   84   90   93   97   98  100  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   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     P    58_A     P    58_A     68  104  105      3    4   14   37   88   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     H    59_A     H    59_A     68  104  105     12   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     L    60_A     L    60_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    61_A     K    61_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     M    62_A     M    62_A     68  104  105     21   72   84   90   93   97   98  100  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   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     C    64_A     C    64_A     68  104  105     26   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     N    65_A     N    65_A     68  104  105     24   68   83   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     F    66_A     F    66_A     68  104  105     26   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     C    67_A     C    67_A     68  104  105     26   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     D    68_A     D    68_A     68  104  105     26   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     Y    69_A     Y    69_A     68  104  105     29   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     M    70_A     M    70_A     68  104  105     29   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     C    71_A     C    71_A     68  104  105     38   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    72_A     K    72_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     G    73_A     G    73_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     I    74_A     I    74_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     R    75_A     R    75_A     68  104  105     35   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     N    76_A     N    76_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     I    77_A     I    77_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     R    78_A     R    78_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     L    79_A     L    79_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     H    80_A     H    80_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     H    81_A     H    81_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    82_A     K    82_A     68  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    83_A     K    83_A     68  104  105     35   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     S    84_A     S    84_A     68  104  105     26   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     H    85_A     H    85_A     68  104  105     26   72   84   90   93   97   98  100  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   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     D    87_A     D    87_A     68  104  105      7   44   78   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     E    88_A     E    88_A     68  104  105     26   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     Q    89_A     Q    89_A     68  104  105      3    5   40   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     L    90_A     L    90_A     32  104  105      3    3    6   14   29   84   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     T    91_A     T    91_A      4  104  105      3    4   38   68   92   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     G    92_A     G    92_A      4  104  105      3   10   29   39   77   91   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     F    93_A     F    93_A      9  104  105      5   34   71   88   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     G    94_A     G    94_A      9  104  105      5   55   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     I    95_A     I    95_A      9  104  105     11   71   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K    96_A     K    96_A      9  104  105     21   67   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     S    97_A     S    97_A      9  104  105     25   61   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     V    98_A     V    98_A      9  104  105     14   51   74   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     V    99_A     V    99_A      9  104  105      4    5   15   65   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     R   100_A     R   100_A      9  104  105      4    6   34   67   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     T   101_A     T   101_A      9  104  105      4    6   22   52   83   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     S   102_A     S   102_A      4  104  105      3    3    4   51   85   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K   103_A     K   103_A      4  104  105     10   40   69   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K   104_A     K   104_A      4  104  105      3    3    4    5   32   41   80  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     G   105_A     G   105_A      3  104  105      3    3    4    5    5    5    7   15   23   71   76  102  104  105  105  105  105  105  105  105 
LCS_GDT     K   106_A     K   106_A      3  104  105      3    8   13   20   29   53   83  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     D   107_A     D   107_A     18  104  105     34   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     L   108_A     L   108_A     18  104  105     25   71   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     A   109_A     A   109_A     18  104  105     35   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K   110_A     K   110_A     18  104  105     35   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     V   111_A     V   111_A     18  104  105     35   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     W   112_A     W   112_A     18  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     D   113_A     D   113_A     18  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     E   114_A     E   114_A     18  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     C   115_A     C   115_A     18  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     F   116_A     F   116_A     18  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K   117_A     K   117_A     18  104  105     12   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     K   118_A     K   118_A     18  104  105     36   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     N   119_A     N   119_A     18  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     R   120_A     R   120_A     18  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     V   121_A     V   121_A     18  104  105     41   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     L   122_A     L   122_A     18  104  105     23   72   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     Q   123_A     Q   123_A     18  104  105     11   56   84   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     H   124_A     H   124_A     18  104  105      3   17   34   90   93   97   98  100  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     G   125_A     G   125_A      4  104  105      3    4    4    5   10   66   81   98  103  103  103  103  104  105  105  105  105  105  105  105 
LCS_GDT     S   126_A     S   126_A      4    4  105      3    4    4    5    5    5    5    7    9   68   85   97  103  105  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  81.45  (  46.21   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     41     72     84     90     93     97     98    100    103    103    103    103    104    105    105    105    105    105    105    105 
GDT PERCENT_AT  39.05  68.57  80.00  85.71  88.57  92.38  93.33  95.24  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    0.33   0.60   0.77   0.95   1.06   1.27   1.31   1.42   1.68   1.68   1.68   1.68   1.88   2.08   2.08   2.08   2.08   2.08   2.08   2.08
GDT RMS_ALL_AT   2.25   2.26   2.20   2.17   2.16   2.12   2.13   2.13   2.10   2.10   2.10   2.10   2.09   2.08   2.08   2.08   2.08   2.08   2.08   2.08

# 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     3.370     0    0.332   0.973     5.509   57.738   47.083
LGA    K    23_A      K    23_A     1.175     0    0.136   0.773     4.215   81.548   71.164
LGA    V    24_A      V    24_A     0.454     0    0.032   0.044     0.791   92.857   95.918
LGA    H    25_A      H    25_A     0.824     0    0.041   0.087     1.517   90.476   85.095
LGA    I    26_A      I    26_A     0.753     0    0.008   1.251     3.216   90.476   78.036
LGA    I    27_A      I    27_A     0.659     0    0.023   0.077     0.823   90.476   90.476
LGA    K    28_A      K    28_A     0.680     0    0.011   0.119     1.623   90.476   86.508
LGA    C    29_A      C    29_A     0.654     0    0.038   0.105     1.101   88.214   88.968
LGA    H    30_A      H    30_A     0.934     0    0.010   0.172     1.245   85.952   90.571
LGA    F    31_A      F    31_A     1.058     0    0.030   0.041     1.249   81.429   81.429
LGA    D    32_A      D    32_A     1.117     0    0.033   0.404     1.578   81.429   83.810
LGA    K    33_A      K    33_A     1.056     0    0.046   0.860     3.996   81.429   72.963
LGA    C    34_A      C    34_A     1.134     0    0.121   0.128     1.174   81.429   81.429
LGA    N    35_A      N    35_A     1.026     0    0.019   0.138     1.717   85.952   82.619
LGA    K    36_A      K    36_A     0.763     0    0.040   0.598     3.042   90.476   77.619
LGA    S    37_A      S    37_A     0.736     0    0.023   0.052     0.895   90.476   90.476
LGA    Y    38_A      Y    38_A     0.506     0    0.065   0.119     1.262   92.857   89.008
LGA    N    39_A      N    39_A     0.242     0    0.103   0.209     1.218  100.000   96.488
LGA    W    40_A      W    40_A     0.499     0    0.024   0.101     0.784   92.857   93.197
LGA    R    41_A      R    41_A     0.868     0    0.050   0.991     4.291   85.952   75.844
LGA    K    42_A      K    42_A     1.240     0    0.013   0.782     3.328   81.429   76.984
LGA    K    43_A      K    43_A     1.559     0    0.040   0.826     7.567   75.000   55.714
LGA    Y    44_A      Y    44_A     1.315     0    0.146   0.186     2.008   81.429   76.468
LGA    G    45_A      G    45_A     1.017     0    0.025   0.025     1.234   85.952   85.952
LGA    K    46_A      K    46_A     0.423     0    0.035   0.551     1.528   97.619   91.746
LGA    L    47_A      L    47_A     0.546     0    0.026   0.149     0.611   92.857   94.048
LGA    R    48_A      R    48_A     0.399     0    0.022   1.107     4.646  100.000   78.009
LGA    L    49_A      L    49_A     0.251     0    0.008   0.037     0.356  100.000  100.000
LGA    V    50_A      V    50_A     0.751     0    0.019   0.056     0.944   90.476   90.476
LGA    D    51_A      D    51_A     0.771     0    0.028   0.133     1.300   90.476   87.083
LGA    H    52_A      H    52_A     0.104     0    0.048   0.140     1.435  100.000   91.619
LGA    A    53_A      A    53_A     0.740     0    0.024   0.034     0.997   92.857   92.381
LGA    F    54_A      F    54_A     1.074     0    0.022   0.794     4.676   88.214   69.957
LGA    T    55_A      T    55_A     0.682     0    0.061   0.086     1.136   95.238   91.905
LGA    H    56_A      H    56_A     0.292     0    0.072   0.157     1.128   97.619   92.429
LGA    V    57_A      V    57_A     0.715     0    0.279   0.242     1.486   88.333   93.333
LGA    P    58_A      P    58_A     3.110     0    0.682   0.634     4.706   50.833   48.707
LGA    H    59_A      H    59_A     0.775     0    0.121   1.136     6.666   88.214   59.238
LGA    L    60_A      L    60_A     1.024     0    0.105   0.146     2.218   81.548   77.262
LGA    K    61_A      K    61_A     0.653     0    0.012   0.907     2.509   90.476   83.810
LGA    M    62_A      M    62_A     0.969     0    0.029   1.008     3.205   90.476   80.952
LGA    K    63_A      K    63_A     1.024     0    0.031   1.075     7.615   85.952   61.534
LGA    C    64_A      C    64_A     1.191     0    0.044   0.116     1.626   79.286   80.000
LGA    N    65_A      N    65_A     1.659     0    0.075   0.181     2.323   79.286   73.036
LGA    F    66_A      F    66_A     1.290     0    0.018   0.090     1.589   81.429   79.870
LGA    C    67_A      C    67_A     1.277     0    0.053   0.090     1.386   81.429   81.429
LGA    D    68_A      D    68_A     1.388     0    0.040   0.313     2.692   81.429   74.167
LGA    Y    69_A      Y    69_A     0.931     0    0.050   0.053     1.030   88.214   92.103
LGA    M    70_A      M    70_A     0.946     0    0.100   0.226     2.008   88.214   82.738
LGA    C    71_A      C    71_A     0.689     0    0.063   0.099     0.841   90.476   90.476
LGA    K    72_A      K    72_A     0.262     0    0.031   0.674     2.281  100.000   91.111
LGA    G    73_A      G    73_A     0.377     0    0.050   0.050     0.377  100.000  100.000
LGA    I    74_A      I    74_A     0.487     0    0.040   0.105     0.864   95.238   92.857
LGA    R    75_A      R    75_A     0.792     0    0.018   1.346     6.563   90.476   70.346
LGA    N    76_A      N    76_A     0.598     0    0.041   0.101     0.803   95.238   92.857
LGA    I    77_A      I    77_A     0.281     0    0.033   0.057     0.506  100.000   98.810
LGA    R    78_A      R    78_A     0.622     0    0.013   0.229     1.313   92.857   88.874
LGA    L    79_A      L    79_A     0.641     0    0.037   1.390     4.063   90.476   74.583
LGA    H    80_A      H    80_A     0.391     0    0.075   0.183     0.907   97.619   96.190
LGA    H    81_A      H    81_A     0.323     0    0.013   1.207     5.568  100.000   71.190
LGA    K    82_A      K    82_A     0.407     0    0.080   0.548     1.925   97.619   94.868
LGA    K    83_A      K    83_A     0.443     0    0.046   0.381     2.919  100.000   87.143
LGA    S    84_A      S    84_A     0.633     0    0.009   0.039     0.803   92.857   92.063
LGA    H    85_A      H    85_A     0.709     0    0.047   0.122     0.980   90.476   90.476
LGA    P    86_A      P    86_A     0.825     0    0.086   0.087     1.682   83.810   86.667
LGA    D    87_A      D    87_A     1.933     0    0.025   1.101     5.796   72.857   55.774
LGA    E    88_A      E    88_A     1.003     0    0.240   0.294     2.469   83.690   79.683
LGA    Q    89_A      Q    89_A     2.353     0    0.614   1.019     8.816   59.524   38.571
LGA    L    90_A      L    90_A     4.014     0    0.149   1.387    11.110   46.905   26.131
LGA    T    91_A      T    91_A     3.200     0    0.018   0.815     6.385   57.262   42.721
LGA    G    92_A      G    92_A     4.110     0    0.672   0.672     4.675   40.714   40.714
LGA    F    93_A      F    93_A     2.159     0    0.490   1.293     4.990   75.238   52.814
LGA    G    94_A      G    94_A     1.430     0    0.014   0.014     1.759   77.143   77.143
LGA    I    95_A      I    95_A     0.905     0    0.080   1.021     2.786   88.214   82.917
LGA    K    96_A      K    96_A     1.064     0    0.257   0.698     4.148   77.381   71.905
LGA    S    97_A      S    97_A     1.532     0    0.161   0.609     3.622   75.000   69.365
LGA    V    98_A      V    98_A     1.918     0    0.045   0.049     2.683   66.905   64.898
LGA    V    99_A      V    99_A     2.875     0    0.071   0.079     3.633   57.262   53.197
LGA    R   100_A      R   100_A     2.830     0    0.023   0.782     3.730   51.905   63.853
LGA    T   101_A      T   101_A     4.079     0    0.296   0.661     6.044   38.810   34.558
LGA    S   102_A      S   102_A     3.629     0    0.185   0.739     4.338   51.905   46.984
LGA    K   103_A      K   103_A     2.687     0    0.644   0.529     5.619   55.357   46.508
LGA    K   104_A      K   104_A     4.985     4    0.354   0.348     7.306   25.476   13.228
LGA    G   105_A      G   105_A     9.045     0    0.090   0.090     9.256    4.405    4.405
LGA    K   106_A      K   106_A     6.632     0    0.573   1.044    15.103   19.881    9.365
LGA    D   107_A      D   107_A     1.155     0    0.613   1.324     6.239   84.167   58.571
LGA    L   108_A      L   108_A     0.850     0    0.077   1.423     4.570   90.476   71.012
LGA    A   109_A      A   109_A     0.589     0    0.089   0.098     0.863   92.857   92.381
LGA    K   110_A      K   110_A     0.333     0    0.023   0.722     2.239  100.000   88.254
LGA    V   111_A      V   111_A     0.186     0    0.043   0.900     2.102  100.000   89.932
LGA    W   112_A      W   112_A     0.449     0    0.014   0.086     1.291   95.238   87.313
LGA    D   113_A      D   113_A     0.805     0    0.034   0.169     1.011   90.476   89.345
LGA    E   114_A      E   114_A     0.749     0    0.067   0.115     1.087   88.214   89.471
LGA    C   115_A      C   115_A     0.633     0    0.023   0.039     0.797   90.476   90.476
LGA    F   116_A      F   116_A     0.907     0    0.043   0.114     1.328   90.476   85.541
LGA    K   117_A      K   117_A     0.897     0    0.020   0.595     2.931   90.476   76.508
LGA    K   118_A      K   118_A     0.532     0    0.017   0.068     0.694   95.238   92.593
LGA    N   119_A      N   119_A     0.604     0    0.062   0.084     0.680   90.476   90.476
LGA    R   120_A      R   120_A     0.640     6    0.038   0.037     0.664   90.476   41.126
LGA    V   121_A      V   121_A     0.788     0    0.069   1.183     3.245   88.214   78.639
LGA    L   122_A      L   122_A     0.880     0    0.060   0.111     1.266   88.214   88.214
LGA    Q   123_A      Q   123_A     1.461     0    0.601   0.880     3.803   69.762   65.503
LGA    H   124_A      H   124_A     2.133     0    0.592   1.249     9.749   73.214   35.667
LGA    G   125_A      G   125_A     4.968     0    0.015   0.015     9.210   25.000   25.000
LGA    S   126_A      S   126_A     9.843     0    0.557   0.838    11.984    2.619    2.619

# 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):     2.084          2.101                  2.623           81.294   74.605

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0    100    1.42    87.381    92.363     6.566

LGA_LOCAL      RMSD:   1.423  Number of atoms:  100  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.126  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   2.084  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.043671 * X  +   0.557852 * Y  +   0.828790 * Z  +   5.172364
  Y_new =  -0.411026 * X  +  -0.746087 * Y  +   0.523844 * Z  + -24.812099
  Z_new =   0.910577 * X  +  -0.363531 * Y  +   0.196709 * Z  +  13.859060 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.464944 -1.144678 -1.074807   [DEG:  -83.9351  -65.5852  -61.5819 ]
ZXZ:  2.134455  1.372796  1.950640   [DEG:  122.2953   78.6554  111.7635 ]
 
# END of job
