
#######################################################
#                                                     #
#                        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  123 ( 1045),  selected  102 , name one
# Molecule2: number of CA atoms  106 (  891),  selected  102 , 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:   102      16_A - 117_A       2.36     2.36
  LCS_AVERAGE:     96.23

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100      16_A - 115_A       1.91     2.41
  LCS_AVERAGE:     92.56

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79      17_A - 95_A        1.00     2.83
  LCS_AVERAGE:     61.57

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  102
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     I    16_A     I    16_A     42  100  102      7   74   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     N    17_A     N    17_A     79  100  102     49   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     R    18_A     R    18_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     K    19_A     K    19_A     79  100  102     51   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     A    20_A     A    20_A     79  100  102     39   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     I    21_A     I    21_A     79  100  102     39   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     N    22_A     N    22_A     79  100  102     52   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     F    23_A     F    23_A     79  100  102     53   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     D    24_A     D    24_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     L    25_A     L    25_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     S    26_A     S    26_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     T    27_A     T    27_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     K    28_A     K    28_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     S    29_A     S    29_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     L    30_A     L    30_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     E    31_A     E    31_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     K    32_A     K    32_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     Y    33_A     Y    33_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     F    34_A     F    34_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     K    35_A     K    35_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     D    36_A     D    36_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     T    37_A     T    37_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     R    38_A     R    38_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     E    39_A     E    39_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     P    40_A     P    40_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     Y    41_A     Y    41_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     S    42_A     S    42_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     L    43_A     L    43_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     I    44_A     I    44_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     K    45_A     K    45_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     K    46_A     K    46_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     F    47_A     F    47_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     M    48_A     M    48_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     L    49_A     L    49_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     E    50_A     E    50_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     N    51_A     N    51_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     G    52_A     G    52_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     F    53_A     F    53_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     E    54_A     E    54_A     79  100  102     20   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     H    55_A     H    55_A     79  100  102     47   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     R    56_A     R    56_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     Q    57_A     Q    57_A     79  100  102      3    9   12   29   80   88   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     Y    58_A     Y    58_A     79  100  102      3    3    8   10   18   21   27   83   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     S    59_A     S    59_A     79  100  102      3    3   12   15   18   56   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     G    60_A     G    60_A     79  100  102     47   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     Y    61_A     Y    61_A     79  100  102     20   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     T    62_A     T    62_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     S    63_A     S    63_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     K    64_A     K    64_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     E    65_A     E    65_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     P    66_A     P    66_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     I    67_A     I    67_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     N    68_A     N    68_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     E    69_A     E    69_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     R    70_A     R    70_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     R    71_A     R    71_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     V    72_A     V    72_A     79  100  102     46   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     I    73_A     I    73_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     R    74_A     R    74_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     I    75_A     I    75_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     I    76_A     I    76_A     79  100  102     38   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     N    77_A     N    77_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     K    78_A     K    78_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     L    79_A     L    79_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     T    80_A     T    80_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     K    81_A     K    81_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     K    82_A     K    82_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     F    83_A     F    83_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     T    84_A     T    84_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     W    85_A     W    85_A     79  100  102     35   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     L    86_A     L    86_A     79  100  102     31   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     G    87_A     G    87_A     79  100  102     42   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     E    88_A     E    88_A     79  100  102     54   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     C    89_A     C    89_A     79  100  102     42   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     V    90_A     V    90_A     79  100  102     42   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     K    91_A     K    91_A     79  100  102     42   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     E    92_A     E    92_A     79  100  102     48   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     F    93_A     F    93_A     79  100  102     50   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     D    94_A     D    94_A     79  100  102     46   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     I    95_A     I    95_A     79  100  102     39   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     T    96_A     T    96_A     42  100  102     39   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     E    97_A     E    97_A     42  100  102     36   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     I    98_A     I    98_A     42  100  102     20   79   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     G    99_A     G    99_A     42  100  102     16   31   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     E   100_A     E   100_A     42  100  102      3    5   27   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     Q   101_A     Q   101_A     42  100  102      3    4   31   81   84   88   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     Y   102_A     Y   102_A     10  100  102      6    9   10   11   11   16   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     S   103_A     S   103_A     10  100  102      6    9   10   11   12   35   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     L   104_A     L   104_A     10  100  102      7    9   10   13   83   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     K   105_A     K   105_A     10  100  102      7    9   10   13   68   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     E   106_A     E   106_A     10  100  102      7    9   10   11   21   85   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     T   107_A     T   107_A     10  100  102      7    9   10   11   83   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     I   108_A     I   108_A     10  100  102      7    9   21   79   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     Q   109_A     Q   109_A     10  100  102      7    9   10   23   71   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     D   110_A     D   110_A     10  100  102      7    9   10   11   52   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     L   111_A     L   111_A     10  100  102      0    3   21   39   55   89   93   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     C   112_A     C   112_A      4  100  102      0    3    4    4    5   10   87   89   93   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     A   113_A     A   113_A      4  100  102      0   16   81   83   84   89   94   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     K   114_A     K   114_A      4  100  102      0    3    4   66   79   88   93   97   98   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     D   115_A     D   115_A      4  100  102      3    3    4    4    5    6   85   88   96   99  100  100  100  100  101  101  102  102  102  102 
LCS_GDT     F   116_A     F   116_A      3    5  102      3    3    3    4    5    5    5    6    6    7    8   10   27  100  101  101  102  102  102  102 
LCS_GDT     H   117_A     H   117_A      3    3  102      3    3    3    3    3    5    5    6    6    6    6   10   11   14   37   62  102  102  102  102 
LCS_AVERAGE  LCS_A:  83.45  (  61.57   92.56   96.23 )

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     54     79     81     83     84     89     94     97     98     99    100    100    100    100    101    101    102    102    102    102 
GDT PERCENT_AT  50.94  74.53  76.42  78.30  79.25  83.96  88.68  91.51  92.45  93.40  94.34  94.34  94.34  94.34  95.28  95.28  96.23  96.23  96.23  96.23
GDT RMS_LOCAL    0.31   0.49   0.62   0.72   0.76   1.28   1.52   1.68   1.76   1.83   1.91   1.91   1.91   1.91   2.11   2.11   2.36   2.36   2.36   2.36
GDT RMS_ALL_AT   2.90   2.76   2.60   2.54   2.55   2.43   2.48   2.44   2.43   2.41   2.41   2.41   2.41   2.41   2.38   2.38   2.36   2.36   2.36   2.36

# Checking swapping
#   possible swapping detected:  F    23_A      F    23_A
#   possible swapping detected:  Y    33_A      Y    33_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  F    53_A      F    53_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  E    88_A      E    88_A
#   possible swapping detected:  E    97_A      E    97_A
#   possible swapping detected:  E   100_A      E   100_A
#   possible swapping detected:  E   106_A      E   106_A
#   possible swapping detected:  F   116_A      F   116_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    I    16_A      I    16_A     0.872     0    0.112   1.144     4.331   81.667   73.036
LGA    N    17_A      N    17_A     0.286     0    0.090   1.317     3.010   95.238   83.452
LGA    R    18_A      R    18_A     0.925     0    0.051   0.525     1.851   85.952   83.203
LGA    K    19_A      K    19_A     1.051     0    0.034   0.536     2.324   85.952   83.598
LGA    A    20_A      A    20_A     1.000     0    0.046   0.056     1.127   85.952   86.857
LGA    I    21_A      I    21_A     0.984     0    0.017   0.089     1.177   88.214   87.083
LGA    N    22_A      N    22_A     0.641     0    0.020   1.116     3.112   95.238   84.464
LGA    F    23_A      F    23_A     0.147     0    0.031   0.071     0.749  100.000   97.403
LGA    D    24_A      D    24_A     0.278     0    0.057   0.135     0.886   97.619   94.048
LGA    L    25_A      L    25_A     0.210     0    0.070   0.096     0.530   97.619   96.429
LGA    S    26_A      S    26_A     0.700     0    0.042   0.083     0.932   90.476   90.476
LGA    T    27_A      T    27_A     0.591     0    0.055   0.089     0.939   90.476   90.476
LGA    K    28_A      K    28_A     0.740     0    0.065   1.050     5.232   90.476   73.492
LGA    S    29_A      S    29_A     0.623     0    0.030   0.606     2.447   95.238   89.365
LGA    L    30_A      L    30_A     0.189     0    0.060   0.075     0.469  100.000  100.000
LGA    E    31_A      E    31_A     0.389     0    0.033   0.147     1.211  100.000   91.693
LGA    K    32_A      K    32_A     0.329     0    0.073   0.980     5.336   97.619   74.709
LGA    Y    33_A      Y    33_A     0.128     0    0.031   0.172     0.713  100.000   96.825
LGA    F    34_A      F    34_A     0.185     0    0.012   0.108     0.911  100.000   94.805
LGA    K    35_A      K    35_A     0.318     0    0.028   0.427     1.598  100.000   92.804
LGA    D    36_A      D    36_A     0.666     0    0.049   0.237     1.074   90.476   88.214
LGA    T    37_A      T    37_A     0.737     0    0.037   0.047     0.811   90.476   90.476
LGA    R    38_A      R    38_A     0.834     0    0.029   1.279     4.240   90.476   75.887
LGA    E    39_A      E    39_A     0.712     0    0.027   0.093     0.882   92.857   91.534
LGA    P    40_A      P    40_A     0.681     0    0.034   0.325     0.846   90.476   93.197
LGA    Y    41_A      Y    41_A     0.705     0    0.061   0.208     1.083   90.476   88.214
LGA    S    42_A      S    42_A     0.834     0    0.035   0.573     2.444   90.476   86.190
LGA    L    43_A      L    43_A     0.803     0    0.022   0.169     0.857   90.476   90.476
LGA    I    44_A      I    44_A     0.772     0    0.023   0.068     0.846   90.476   90.476
LGA    K    45_A      K    45_A     0.924     0    0.025   0.046     1.057   85.952   85.450
LGA    K    46_A      K    46_A     1.143     0    0.027   1.130     6.664   81.429   60.212
LGA    F    47_A      F    47_A     1.037     0    0.042   0.063     1.099   81.429   87.186
LGA    M    48_A      M    48_A     1.045     0    0.015   0.773     3.227   81.429   79.762
LGA    L    49_A      L    49_A     1.171     0    0.058   0.411     1.817   81.429   80.357
LGA    E    50_A      E    50_A     1.213     0    0.065   0.172     1.516   81.429   81.481
LGA    N    51_A      N    51_A     1.075     0    0.034   0.074     1.177   81.429   81.429
LGA    G    52_A      G    52_A     1.097     0    0.021   0.021     1.097   81.429   81.429
LGA    F    53_A      F    53_A     1.133     0    0.016   0.082     1.395   81.429   86.364
LGA    E    54_A      E    54_A     1.505     0    0.018   0.223     3.235   81.548   70.688
LGA    H    55_A      H    55_A     0.866     0    0.032   0.248     1.548   85.952   82.429
LGA    R    56_A      R    56_A     0.966     0    0.524   0.965     2.740   79.643   78.658
LGA    Q    57_A      Q    57_A     4.070     0    0.624   0.917     8.677   33.929   20.370
LGA    Y    58_A      Y    58_A     5.488     0    0.212   1.303    12.874   30.119   13.095
LGA    S    59_A      S    59_A     4.395     0    0.550   0.513     5.771   36.190   32.063
LGA    G    60_A      G    60_A     1.037     0    0.167   0.167     1.222   81.429   81.429
LGA    Y    61_A      Y    61_A     1.455     0    0.148   0.190     1.905   79.286   82.222
LGA    T    62_A      T    62_A     0.856     0    0.039   1.135     3.016   90.476   82.177
LGA    S    63_A      S    63_A     0.995     0    0.018   0.154     1.114   85.952   87.460
LGA    K    64_A      K    64_A     1.115     0    0.034   0.792     3.126   81.429   74.444
LGA    E    65_A      E    65_A     0.780     0    0.033   0.165     1.635   90.476   86.508
LGA    P    66_A      P    66_A     0.655     0    0.097   0.090     0.830   90.476   90.476
LGA    I    67_A      I    67_A     0.722     0    0.074   0.224     1.070   88.214   87.083
LGA    N    68_A      N    68_A     0.309     0    0.058   1.215     4.063   97.619   84.048
LGA    E    69_A      E    69_A     0.411     0    0.056   0.936     3.830  100.000   86.614
LGA    R    70_A      R    70_A     0.391     0    0.044   1.365     7.194  100.000   68.398
LGA    R    71_A      R    71_A     0.787     0    0.045   1.055     2.975   90.476   81.775
LGA    V    72_A      V    72_A     0.576     0    0.015   0.040     0.830   95.238   93.197
LGA    I    73_A      I    73_A     0.284     0    0.100   1.523     3.178  100.000   83.810
LGA    R    74_A      R    74_A     0.718     0    0.020   1.450     6.485   92.857   67.532
LGA    I    75_A      I    75_A     0.659     0    0.035   0.073     1.388   95.238   90.595
LGA    I    76_A      I    76_A     0.212     0    0.076   0.623     3.092  100.000   89.048
LGA    N    77_A      N    77_A     0.774     0    0.093   1.338     3.631   88.214   77.083
LGA    K    78_A      K    78_A     0.872     0    0.020   0.472     1.611   90.476   85.556
LGA    L    79_A      L    79_A     0.489     0    0.010   0.140     0.899   97.619   96.429
LGA    T    80_A      T    80_A     0.439     0    0.043   0.138     0.872   95.238   94.558
LGA    K    81_A      K    81_A     1.054     0    0.044   0.280     2.341   83.690   79.630
LGA    K    82_A      K    82_A     1.144     0    0.040   0.603     3.655   81.429   76.243
LGA    F    83_A      F    83_A     0.935     0    0.033   0.289     1.459   90.476   86.364
LGA    T    84_A      T    84_A     1.145     0    0.120   0.117     1.587   81.429   78.980
LGA    W    85_A      W    85_A     1.116     0    0.128   0.157     1.211   85.952   87.279
LGA    L    86_A      L    86_A     0.995     0    0.040   0.303     1.167   85.952   88.274
LGA    G    87_A      G    87_A     1.206     0    0.031   0.031     1.206   83.690   83.690
LGA    E    88_A      E    88_A     0.441     0    0.119   0.853     3.418   92.857   76.190
LGA    C    89_A      C    89_A     0.801     0    0.074   0.075     0.842   90.476   90.476
LGA    V    90_A      V    90_A     0.788     0    0.034   0.127     1.028   90.476   89.184
LGA    K    91_A      K    91_A     0.909     0    0.069   0.517     1.669   88.214   85.556
LGA    E    92_A      E    92_A     0.586     0    0.031   0.665     2.287   90.476   79.048
LGA    F    93_A      F    93_A     0.496     0    0.117   0.222     1.366   95.238   88.918
LGA    D    94_A      D    94_A     0.550     0    0.015   0.117     0.726   92.857   91.667
LGA    I    95_A      I    95_A     1.008     0    0.035   0.640     1.936   85.952   82.619
LGA    T    96_A      T    96_A     0.982     0    0.026   1.227     3.150   90.476   81.020
LGA    E    97_A      E    97_A     1.058     0    0.028   0.706     3.148   81.429   77.989
LGA    I    98_A      I    98_A     1.164     0    0.043   1.463     3.247   81.429   72.500
LGA    G    99_A      G    99_A     2.049     0    0.564   0.564     3.913   63.571   63.571
LGA    E   100_A      E   100_A     2.326     0    0.597   1.002     4.002   57.857   55.873
LGA    Q   101_A      Q   101_A     2.620     0    0.165   0.868     9.131   54.524   30.582
LGA    Y   102_A      Y   102_A     4.471     0    0.643   1.490    14.528   44.048   16.944
LGA    S   103_A      S   103_A     4.316     0    0.017   0.134     5.336   38.690   35.397
LGA    L   104_A      L   104_A     3.138     0    0.072   0.114     3.480   50.000   53.631
LGA    K   105_A      K   105_A     3.439     0    0.045   0.755     6.818   48.333   38.889
LGA    E   106_A      E   106_A     4.179     0    0.076   1.326     9.673   41.786   23.598
LGA    T   107_A      T   107_A     3.352     0    0.033   0.074     3.559   48.333   50.068
LGA    I   108_A      I   108_A     2.612     0    0.036   0.112     3.046   55.357   63.095
LGA    Q   109_A      Q   109_A     3.859     0    0.025   0.364     5.385   41.905   38.730
LGA    D   110_A      D   110_A     4.472     0    0.618   0.628     5.615   34.405   30.357
LGA    L   111_A      L   111_A     4.487     0    0.485   1.350     7.379   26.429   32.560
LGA    C   112_A      C   112_A     5.803     0    0.552   0.834     8.836   36.548   26.032
LGA    A   113_A      A   113_A     1.720     0    0.712   0.648     3.233   63.095   60.476
LGA    K   114_A      K   114_A     3.507     0    0.358   0.905    12.933   59.762   32.487
LGA    D   115_A      D   115_A     5.458     0    0.652   1.080     9.783   25.238   14.464
LGA    F   116_A      F   116_A     9.677     0    0.045   0.129    15.091    1.310    0.476
LGA    H   117_A      H   117_A    12.075     0    0.478   1.324    18.971    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      102     408    408  100.00     863    863  100.00               106
SUMMARY(RMSD_GDC):     2.361          2.377                  3.347           76.166   70.879

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  106    4.0     97    1.68    84.906    87.722     5.450

LGA_LOCAL      RMSD:   1.680  Number of atoms:   97  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.439  Number of assigned atoms:  102 
Std_ASGN_ATOMS RMSD:   2.361  Standard rmsd on all 102 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.306001 * X  +   0.700496 * Y  +  -0.644724 * Z  +  -5.840848
  Y_new =  -0.298907 * X  +  -0.713655 * Y  +  -0.633523 * Z  + -42.081150
  Z_new =  -0.903890 * X  +  -0.001146 * Y  +   0.427762 * Z  +   0.524453 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.367920  1.128779 -0.002678   [DEG: -135.6718   64.6743   -0.1534 ]
ZXZ: -0.794161  1.128780 -1.572064   [DEG:  -45.5021   64.6744  -90.0726 ]
 
# END of job
