
#######################################################
#                                                     #
#                        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   98 (  825),  selected   98 , name one
# Molecule2: number of CA atoms  106 (  891),  selected   98 , 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:    98      13_A - 110_A       2.17     2.17
  LCS_AVERAGE:     92.45

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    97      14_A - 110_A       1.97     2.19
  LCS_AVERAGE:     91.09

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40      17_A - 56_A        0.98     2.36
  LCS_AVERAGE:     24.95

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   98
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     D    13_A     D    13_A      3   53   98      0    3   12   16   23   40   47   74   83   85   91   95   97   98   98   98   98   98   98   98 
LCS_GDT     P    14_A     P    14_A      3   97   98      0    3   12   45   63   73   82   92   94   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     G    15_A     G    15_A     20   97   98      5   33   60   72   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     I    16_A     I    16_A     20   97   98      5   19   52   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     N    17_A     N    17_A     40   97   98     20   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     R    18_A     R    18_A     40   97   98     28   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     K    19_A     K    19_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     A    20_A     A    20_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     I    21_A     I    21_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     N    22_A     N    22_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     F    23_A     F    23_A     40   97   98     23   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     D    24_A     D    24_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     L    25_A     L    25_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     S    26_A     S    26_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     T    27_A     T    27_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     K    28_A     K    28_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     S    29_A     S    29_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     L    30_A     L    30_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     E    31_A     E    31_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     K    32_A     K    32_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     Y    33_A     Y    33_A     40   97   98      5   33   58   72   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     F    34_A     F    34_A     40   97   98      5   17   47   68   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     K    35_A     K    35_A     40   97   98      5    5    9   56   71   87   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     D    36_A     D    36_A     40   97   98      9   40   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     T    37_A     T    37_A     40   97   98     28   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     R    38_A     R    38_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     E    39_A     E    39_A     40   97   98     22   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     P    40_A     P    40_A     40   97   98     22   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     Y    41_A     Y    41_A     40   97   98     28   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     S    42_A     S    42_A     40   97   98     22   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     L    43_A     L    43_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     I    44_A     I    44_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     K    45_A     K    45_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     K    46_A     K    46_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     F    47_A     F    47_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     M    48_A     M    48_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     L    49_A     L    49_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     E    50_A     E    50_A     40   97   98     34   54   61   72   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     N    51_A     N    51_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     G    52_A     G    52_A     40   97   98     19   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     F    53_A     F    53_A     40   97   98     21   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     E    54_A     E    54_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     H    55_A     H    55_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     R    56_A     R    56_A     40   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     Q    57_A     Q    57_A     27   97   98      3   29   52   72   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     Y    58_A     Y    58_A     27   97   98      3   13   41   63   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     S    59_A     S    59_A     27   97   98      3    4   31   63   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     G    60_A     G    60_A     27   97   98     21   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     Y    61_A     Y    61_A     27   97   98     20   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     T    62_A     T    62_A     27   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     S    63_A     S    63_A     27   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     K    64_A     K    64_A      6   97   98      4    6   27   56   78   89   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     E    65_A     E    65_A      6   97   98      5   47   61   70   85   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     P    66_A     P    66_A      7   97   98      3    7   15   25   46   72   82   93   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     I    67_A     I    67_A     11   97   98      4   18   27   43   84   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     N    68_A     N    68_A     11   97   98      6   16   40   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     E    69_A     E    69_A     11   97   98      6   33   55   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     R    70_A     R    70_A     11   97   98      6   33   52   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     R    71_A     R    71_A     11   97   98      5   12   18   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     V    72_A     V    72_A     11   97   98      5   48   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     I    73_A     I    73_A     11   97   98     21   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     R    74_A     R    74_A     11   97   98      4   33   60   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     I    75_A     I    75_A     11   97   98      6   12   36   72   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     I    76_A     I    76_A     11   97   98      5   52   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     N    77_A     N    77_A     11   97   98      3   38   60   70   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     K    78_A     K    78_A      7   97   98      3   26   56   69   84   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     L    79_A     L    79_A      7   97   98      5   29   52   72   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     T    80_A     T    80_A      7   97   98      5    6   36   54   83   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     K    81_A     K    81_A      7   97   98      5    6    8   17   32   61   83   93   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     K    82_A     K    82_A      7   97   98      5   21   28   56   67   76   89   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     F    83_A     F    83_A     20   97   98     14   48   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     T    84_A     T    84_A     21   97   98      3   25   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     W    85_A     W    85_A     21   97   98     15   53   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     L    86_A     L    86_A     21   97   98      9   46   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     G    87_A     G    87_A     21   97   98     12   46   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     E    88_A     E    88_A     21   97   98     22   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     C    89_A     C    89_A     21   97   98     28   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     V    90_A     V    90_A     21   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     K    91_A     K    91_A     21   97   98     33   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     E    92_A     E    92_A     21   97   98     28   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     F    93_A     F    93_A     21   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     D    94_A     D    94_A     21   97   98     28   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     I    95_A     I    95_A     21   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     T    96_A     T    96_A     21   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     E    97_A     E    97_A     21   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     I    98_A     I    98_A     21   97   98     34   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     G    99_A     G    99_A     21   97   98     17   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     E   100_A     E   100_A     21   97   98     16   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     Q   101_A     Q   101_A     21   97   98     13   54   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     Y   102_A     Y   102_A     21   97   98     10   43   61   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     S   103_A     S   103_A     21   97   98      6   30   57   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     L   104_A     L   104_A     21   97   98     10   34   60   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     K   105_A     K   105_A     21   97   98     11   31   50   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     E   106_A     E   106_A     20   97   98      6   31   47   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     T   107_A     T   107_A     20   97   98     11   31   48   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     I   108_A     I   108_A     20   97   98      6   31   48   73   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     Q   109_A     Q   109_A     20   97   98      6   31   45   68   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_GDT     D   110_A     D   110_A     20   97   98      5   11   44   65   86   90   93   94   95   96   97   97   97   98   98   98   98   98   98   98 
LCS_AVERAGE  LCS_A:  69.50  (  24.95   91.09   92.45 )

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     34     54     61     73     86     90     93     94     95     96     97     97     97     98     98     98     98     98     98     98 
GDT PERCENT_AT  32.08  50.94  57.55  68.87  81.13  84.91  87.74  88.68  89.62  90.57  91.51  91.51  91.51  92.45  92.45  92.45  92.45  92.45  92.45  92.45
GDT RMS_LOCAL    0.35   0.57   0.71   1.22   1.50   1.57   1.67   1.73   1.80   1.87   1.97   1.97   1.97   2.17   2.17   2.17   2.17   2.17   2.17   2.17
GDT RMS_ALL_AT   2.37   2.33   2.33   2.25   2.23   2.21   2.21   2.20   2.20   2.20   2.19   2.19   2.19   2.17   2.17   2.17   2.17   2.17   2.17   2.17

# Checking swapping
#   possible swapping detected:  D    13_A      D    13_A
#   possible swapping detected:  F    23_A      F    23_A
#   possible swapping detected:  Y    33_A      Y    33_A
#   possible swapping detected:  D    36_A      D    36_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  Y    41_A      Y    41_A
#   possible swapping detected:  F    47_A      F    47_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  Y    58_A      Y    58_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  E    88_A      E    88_A
#   possible swapping detected:  E    92_A      E    92_A
#   possible swapping detected:  E    97_A      E    97_A
#   possible swapping detected:  E   100_A      E   100_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D    13_A      D    13_A     9.874     0    0.122   1.084    12.703    2.024    1.369
LGA    P    14_A      P    14_A     6.260     0    0.685   0.728     8.980   20.714   14.082
LGA    G    15_A      G    15_A     2.472     0    0.653   0.653     2.472   64.762   64.762
LGA    I    16_A      I    16_A     2.238     0    0.056   0.092     4.805   73.095   59.286
LGA    N    17_A      N    17_A     1.304     0    0.078   1.078     3.707   83.810   70.655
LGA    R    18_A      R    18_A     0.936     0    0.038   1.389     5.722   90.476   71.861
LGA    K    19_A      K    19_A     0.830     0    0.058   0.294     1.823   90.476   84.550
LGA    A    20_A      A    20_A     0.723     0    0.086   0.118     1.213   88.214   88.667
LGA    I    21_A      I    21_A     0.701     0    0.034   1.028     2.976   90.476   85.179
LGA    N    22_A      N    22_A     0.660     0    0.096   1.125     2.737   92.857   85.298
LGA    F    23_A      F    23_A     0.669     0    0.078   0.168     0.796   90.476   91.342
LGA    D    24_A      D    24_A     0.642     0    0.052   0.293     1.238   90.476   90.536
LGA    L    25_A      L    25_A     0.848     0    0.036   0.066     1.244   90.476   85.952
LGA    S    26_A      S    26_A     1.042     0    0.045   0.132     1.762   85.952   83.016
LGA    T    27_A      T    27_A     1.295     0    0.038   0.941     3.335   81.429   75.714
LGA    K    28_A      K    28_A     1.737     0    0.070   1.017     5.439   72.857   61.058
LGA    S    29_A      S    29_A     1.451     0    0.066   0.565     2.199   79.286   77.222
LGA    L    30_A      L    30_A     1.270     0    0.145   0.205     1.579   83.690   81.488
LGA    E    31_A      E    31_A     1.398     0    0.060   0.166     2.317   79.286   73.016
LGA    K    32_A      K    32_A     1.504     0    0.092   0.967     9.898   79.286   48.677
LGA    Y    33_A      Y    33_A     2.159     0    0.058   0.252     4.203   65.238   54.087
LGA    F    34_A      F    34_A     2.330     0    0.252   1.372     7.383   59.524   46.147
LGA    K    35_A      K    35_A     3.680     0    0.086   0.969     6.975   50.119   35.556
LGA    D    36_A      D    36_A     1.354     0    0.272   0.782     2.822   79.524   79.702
LGA    T    37_A      T    37_A     1.570     0    0.202   0.182     3.042   79.286   67.755
LGA    R    38_A      R    38_A     1.272     0    0.039   0.958     6.021   81.429   65.714
LGA    E    39_A      E    39_A     1.616     0    0.044   0.904     4.246   77.143   63.175
LGA    P    40_A      P    40_A     1.269     0    0.027   0.321     1.565   83.690   81.497
LGA    Y    41_A      Y    41_A     1.112     0    0.059   0.193     1.518   83.690   81.468
LGA    S    42_A      S    42_A     1.256     0    0.035   0.615     1.511   83.690   81.508
LGA    L    43_A      L    43_A     0.687     0    0.035   1.388     3.289   95.238   80.417
LGA    I    44_A      I    44_A     0.303     0    0.017   0.094     1.102  100.000   94.107
LGA    K    45_A      K    45_A     0.778     0    0.015   0.096     2.107   90.476   81.693
LGA    K    46_A      K    46_A     0.977     0    0.033   1.126     4.864   88.214   73.069
LGA    F    47_A      F    47_A     0.711     0    0.029   1.238     6.667   88.214   60.390
LGA    M    48_A      M    48_A     0.895     0    0.033   0.653     2.270   88.214   83.929
LGA    L    49_A      L    49_A     1.068     0    0.056   1.324     4.058   81.429   68.929
LGA    E    50_A      E    50_A     1.139     0    0.042   0.212     1.573   81.429   80.476
LGA    N    51_A      N    51_A     0.909     0    0.065   0.094     1.365   88.214   85.952
LGA    G    52_A      G    52_A     0.283     0    0.098   0.098     0.425  100.000  100.000
LGA    F    53_A      F    53_A     0.927     0    0.229   0.304     2.059   81.786   83.203
LGA    E    54_A      E    54_A     0.915     0    0.065   0.626     2.104   90.476   83.598
LGA    H    55_A      H    55_A     0.839     0    0.070   0.296     2.147   90.476   82.571
LGA    R    56_A      R    56_A     1.090     0    0.167   1.121     3.543   83.690   74.156
LGA    Q    57_A      Q    57_A     1.892     0    0.674   1.273     4.939   60.714   55.767
LGA    Y    58_A      Y    58_A     2.667     0    0.343   0.467     3.336   59.286   59.802
LGA    S    59_A      S    59_A     2.660     0    0.322   0.809     5.416   57.262   49.762
LGA    G    60_A      G    60_A     0.764     0    0.118   0.118     0.828   92.857   92.857
LGA    Y    61_A      Y    61_A     0.780     0    0.150   0.340     1.282   90.476   90.556
LGA    T    62_A      T    62_A     0.558     0    0.064   0.191     1.022   90.476   89.184
LGA    S    63_A      S    63_A     0.840     0    0.077   0.534     2.595   77.738   77.698
LGA    K    64_A      K    64_A     3.260     0    0.462   0.751     8.722   59.167   36.931
LGA    E    65_A      E    65_A     2.237     0    0.732   1.030     7.242   57.500   39.418
LGA    P    66_A      P    66_A     5.372     0    0.651   0.573     7.477   36.190   28.027
LGA    I    67_A      I    67_A     3.607     0    0.193   0.991     4.889   43.452   41.964
LGA    N    68_A      N    68_A     2.837     0    0.076   1.256     5.076   60.952   53.393
LGA    E    69_A      E    69_A     2.008     0    0.039   0.868     4.055   70.952   61.958
LGA    R    70_A      R    70_A     2.431     0    0.111   1.328     5.631   64.762   51.082
LGA    R    71_A      R    71_A     2.537     0    0.036   1.187     7.538   62.857   41.602
LGA    V    72_A      V    72_A     1.302     0    0.044   0.227     1.595   81.548   84.082
LGA    I    73_A      I    73_A     0.628     0    0.111   1.505     3.941   90.476   79.167
LGA    R    74_A      R    74_A     2.024     0    0.057   0.945     6.705   70.833   41.558
LGA    I    75_A      I    75_A     2.285     0    0.059   0.117     4.011   68.810   58.690
LGA    I    76_A      I    76_A     1.435     0    0.062   0.719     2.039   77.143   76.131
LGA    N    77_A      N    77_A     2.452     0    0.180   1.322     7.465   61.190   42.917
LGA    K    78_A      K    78_A     2.889     0    0.158   0.973    11.618   60.952   35.397
LGA    L    79_A      L    79_A     1.926     0    0.106   1.457     7.691   79.405   54.286
LGA    T    80_A      T    80_A     2.514     0    0.076   1.204     6.279   59.643   48.027
LGA    K    81_A      K    81_A     5.186     0    0.062   0.881     8.103   29.286   19.577
LGA    K    82_A      K    82_A     4.650     0    0.223   0.986    11.185   40.476   22.011
LGA    F    83_A      F    83_A     1.408     0    0.105   0.164     4.003   77.262   64.329
LGA    T    84_A      T    84_A     2.205     0    0.215   1.010     5.542   68.929   61.224
LGA    W    85_A      W    85_A     2.053     0    0.173   0.285     2.053   70.833   74.762
LGA    L    86_A      L    86_A     1.908     0    0.054   0.274     2.254   72.857   71.905
LGA    G    87_A      G    87_A     1.721     0    0.051   0.051     1.795   72.857   72.857
LGA    E    88_A      E    88_A     1.269     0    0.112   0.890     2.352   81.429   76.720
LGA    C    89_A      C    89_A     1.139     0    0.019   0.086     1.349   81.429   81.429
LGA    V    90_A      V    90_A     0.950     0    0.097   1.438     3.596   81.548   74.966
LGA    K    91_A      K    91_A     0.471     0    0.037   0.510     2.671   97.619   85.079
LGA    E    92_A      E    92_A     0.127     0    0.035   1.081     3.883  100.000   82.646
LGA    F    93_A      F    93_A     0.169     0    0.065   0.490     2.082  100.000   90.043
LGA    D    94_A      D    94_A     0.424     0    0.126   1.014     3.339  100.000   82.679
LGA    I    95_A      I    95_A     0.223     0    0.090   1.348     3.940  100.000   84.107
LGA    T    96_A      T    96_A     0.433     0    0.048   0.078     0.982   95.238   93.197
LGA    E    97_A      E    97_A     0.473     0    0.048   0.851     2.227   92.976   81.058
LGA    I    98_A      I    98_A     0.695     0    0.025   0.718     2.057   90.476   89.643
LGA    G    99_A      G    99_A     1.373     0    0.029   0.029     1.561   79.286   79.286
LGA    E   100_A      E   100_A     0.726     0    0.069   0.633     3.666   88.214   76.667
LGA    Q   101_A      Q   101_A     0.420     0    0.031   0.789     3.097   95.238   86.085
LGA    Y   102_A      Y   102_A     0.872     0    0.025   0.110     1.138   85.952   88.968
LGA    S   103_A      S   103_A     1.658     0    0.058   0.096     2.244   72.857   70.159
LGA    L   104_A      L   104_A     1.300     0    0.069   1.055     3.546   77.143   73.452
LGA    K   105_A      K   105_A     1.851     0    0.085   0.806     5.525   68.810   60.265
LGA    E   106_A      E   106_A     2.167     0    0.104   1.102     6.708   64.881   47.460
LGA    T   107_A      T   107_A     2.156     0    0.058   0.091     2.570   62.857   67.143
LGA    I   108_A      I   108_A     2.488     0    0.139   0.921     3.614   57.500   56.488
LGA    Q   109_A      Q   109_A     3.084     0    0.175   0.314     4.208   51.786   47.196
LGA    D   110_A      D   110_A     3.380     0    0.527   0.688     4.953   45.357   47.738

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       98     392    392  100.00     825    825  100.00               106
SUMMARY(RMSD_GDC):     2.175          2.159                  2.998           70.368   63.040

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   98  106    4.0     94    1.73    75.236    82.582     5.138

LGA_LOCAL      RMSD:   1.729  Number of atoms:   94  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.198  Number of assigned atoms:   98 
Std_ASGN_ATOMS RMSD:   2.175  Standard rmsd on all 98 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.707216 * X  +  -0.706953 * Y  +   0.007859 * Z  + -32.133518
  Y_new =  -0.461615 * X  +  -0.453311 * Y  +   0.762510 * Z  + -41.669762
  Z_new =  -0.535497 * X  +  -0.542887 * Y  +  -0.646929 * Z  +  49.562698 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.578286  0.565096 -2.443416   [DEG:  -33.1333   32.3776 -139.9974 ]
ZXZ:  3.131287  2.274347 -2.363048   [DEG:  179.4095  130.3105 -135.3927 ]
 
# END of job
