
#######################################################
#                                                     #
#                        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  101 (  823),  selected   97 , name one
# Molecule2: number of CA atoms   97 (  780),  selected   97 , 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:    54      43_A - 96_A        4.99    21.15
  LCS_AVERAGE:     55.21

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49      52_A - 100_A       1.27    20.01
  LCS_AVERAGE:     47.26

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    48      53_A - 100_A       0.58    19.92
  LCS_AVERAGE:     45.28

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   97
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     E     4_A     E     4_A     44   45   53     13   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     I     5_A     I     5_A     44   45   53     27   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     K     6_A     K     6_A     44   45   53     30   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     G     7_A     G     7_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     Y     8_A     Y     8_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     E     9_A     E     9_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     Y    10_A     Y    10_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     Q    11_A     Q    11_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   55 
LCS_GDT     L    12_A     L    12_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   52   55 
LCS_GDT     Y    13_A     Y    13_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   54   56   58 
LCS_GDT     V    14_A     V    14_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     Y    15_A     Y    15_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     A    16_A     A    16_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     S    17_A     S    17_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     D    18_A     D    18_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     K    19_A     K    19_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     L    20_A     L    20_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   58 
LCS_GDT     F    21_A     F    21_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   54   56   58 
LCS_GDT     R    22_A     R    22_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   52   53   53   54   56   58 
LCS_GDT     A    23_A     A    23_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     D    24_A     D    24_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     I    25_A     I    25_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     S    26_A     S    26_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     E    27_A     E    27_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     D    28_A     D    28_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     Y    29_A     Y    29_A     44   45   53     31   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     K    30_A     K    30_A     44   45   53     31   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     T    31_A     T    31_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     R    32_A     R    32_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     G    33_A     G    33_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     R    34_A     R    34_A     44   45   53     34   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     K    35_A     K    35_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     L    36_A     L    36_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     L    37_A     L    37_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     R    38_A     R    38_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     F    39_A     F    39_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   50   51   51   52 
LCS_GDT     N    40_A     N    40_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   48   48   49   49   52   54   54   56 
LCS_GDT     G    41_A     G    41_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   51   52   52   53   53   55   56   58 
LCS_GDT     P    42_A     P    42_A     44   45   53     36   42   44   44   44   44   44   44   45   46   47   48   49   52   52   53   54   55   56   58 
LCS_GDT     V    43_A     V    43_A     44   45   54     36   42   44   44   44   44   44   44   47   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     P    44_A     P    44_A     44   45   54     36   42   44   44   44   44   44   44   45   46   47   48   49   50   51   53   54   55   56   58 
LCS_GDT     P    45_A     P    45_A     44   45   54     36   42   44   44   44   44   44   44   45   46   47   48   48   48   50   51   52   53   56   57 
LCS_GDT     P    46_A     P    46_A     44   45   54      6   42   44   44   44   44   44   44   45   46   47   48   49   50   51   53   54   55   56   58 
LCS_GDT     G    47_A     G    47_A     44   45   54      4   26   44   44   44   44   44   44   45   46   47   48   48   48   49   51   52   53   53   54 
LCS_GDT     G    48_A     G    48_A      4   45   54      3    4    4    7   14   18   33   41   45   46   47   48   48   48   49   49   50   51   51   53 
LCS_GDT     S    49_A     S    49_A      4    7   54      3    4    4    7    7    9   11   16   18   21   31   36   44   47   48   49   50   51   51   53 
LCS_GDT     G    50_A     G    50_A      4    7   54      3    4    4    6    7    9   10   12   15   16   22   25   27   44   47   51   52   53   54   55 
LCS_GDT     G    51_A     G    51_A      4    7   54      3    4    4   11   18   25   30   34   36   40   46   47   49   50   51   53   54   55   56   58 
LCS_GDT     G    52_A     G    52_A      4   49   54      3    4   16   26   33   36   43   45   46   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     E    53_A     E    53_A     48   49   54     22   42   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     W    54_A     W    54_A     48   49   54     37   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     E    55_A     E    55_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     I    56_A     I    56_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     I    57_A     I    57_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     D    58_A     D    58_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     I    59_A     I    59_A     48   49   54     16   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     G    60_A     G    60_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     P    61_A     P    61_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     F    62_A     F    62_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     T    63_A     T    63_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     Q    64_A     Q    64_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     N    65_A     N    65_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     L    66_A     L    66_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     G    67_A     G    67_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     K    68_A     K    68_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     F    69_A     F    69_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     A    70_A     A    70_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     V    71_A     V    71_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     D    72_A     D    72_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     E    73_A     E    73_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     E    74_A     E    74_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     N    75_A     N    75_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     K    76_A     K    76_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     I    77_A     I    77_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     G    78_A     G    78_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     Q    79_A     Q    79_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     Y    80_A     Y    80_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     G    81_A     G    81_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     R    82_A     R    82_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     L    83_A     L    83_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     T    84_A     T    84_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     F    85_A     F    85_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     N    86_A     N    86_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   57 
LCS_GDT     K    87_A     K    87_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     V    88_A     V    88_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     I    89_A     I    89_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     R    90_A     R    90_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     P    91_A     P    91_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     C    92_A     C    92_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     M    93_A     M    93_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     K    94_A     K    94_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     K    95_A     K    95_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     T    96_A     T    96_A     48   49   54     41   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     I    97_A     I    97_A     48   49   53      4   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     Y    98_A     Y    98_A     48   49   53      4   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     E    99_A     E    99_A     48   49   53     17   46   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_GDT     N   100_A     N   100_A     48   49   53      3   11   48   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   58 
LCS_AVERAGE  LCS_A:  49.25  (  45.28   47.26   55.21 )

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     46     48     48     48     48     48     48     48     49     50     50     51     52     52     53     54     55     56     58 
GDT PERCENT_AT  42.27  47.42  49.48  49.48  49.48  49.48  49.48  49.48  49.48  50.52  51.55  51.55  52.58  53.61  53.61  54.64  55.67  56.70  57.73  59.79
GDT RMS_LOCAL    0.26   0.42   0.58   0.58   0.58   0.58   0.58   0.58   0.58   1.27   1.77   1.77   2.27   2.77   2.77   3.26   3.55   3.77   4.13   5.11
GDT RMS_ALL_AT  19.93  19.91  19.92  19.92  19.92  19.92  19.92  19.92  19.92  20.01  19.99  19.99  19.92  19.86  19.86  20.18  20.12  20.06  20.09  19.76

# Checking swapping
#   possible swapping detected:  Y     8_A      Y     8_A
#   possible swapping detected:  Y    10_A      Y    10_A
#   possible swapping detected:  F    21_A      F    21_A
#   possible swapping detected:  D    24_A      D    24_A
#   possible swapping detected:  E    55_A      E    55_A
#   possible swapping detected:  F    69_A      F    69_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  F    85_A      F    85_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     4_A      E     4_A    41.689     4    0.060   0.067    44.321    0.000    0.000
LGA    I     5_A      I     5_A    37.260     0    0.063   0.086    40.962    0.000    0.000
LGA    K     6_A      K     6_A    40.374     0    0.021   0.707    44.182    0.000    0.000
LGA    G     7_A      G     7_A    35.278     0    0.044   0.044    36.488    0.000    0.000
LGA    Y     8_A      Y     8_A    28.299     0    0.007   1.245    31.161    0.000    0.000
LGA    E     9_A      E     9_A    23.876     0    0.029   1.042    26.507    0.000    0.000
LGA    Y    10_A      Y    10_A    19.332     0    0.028   1.242    27.910    0.000    0.000
LGA    Q    11_A      Q    11_A    13.512     0    0.024   1.098    15.180    0.000    0.794
LGA    L    12_A      L    12_A    15.621     0    0.015   0.991    21.572    0.000    0.000
LGA    Y    13_A      Y    13_A    15.454     0    0.028   0.165    19.945    0.000    6.508
LGA    V    14_A      V    14_A    22.298     0    0.030   1.194    24.555    0.000    0.000
LGA    Y    15_A      Y    15_A    26.579     0    0.037   0.045    30.189    0.000    0.000
LGA    A    16_A      A    16_A    30.311     0    0.040   0.039    30.674    0.000    0.000
LGA    S    17_A      S    17_A    33.952     0    0.059   0.065    35.040    0.000    0.000
LGA    D    18_A      D    18_A    32.422     0    0.029   0.242    39.026    0.000    0.000
LGA    K    19_A      K    19_A    24.794     0    0.022   0.743    27.637    0.000    0.000
LGA    L    20_A      L    20_A    19.567     0    0.017   0.066    21.164    0.000    0.000
LGA    F    21_A      F    21_A    15.768     0    0.004   1.221    21.173    0.000    0.000
LGA    R    22_A      R    22_A    11.986     0    0.021   1.119    14.416    0.000    1.429
LGA    A    23_A      A    23_A    17.951     0    0.017   0.024    20.471    0.000    0.000
LGA    D    24_A      D    24_A    19.489     0    0.021   1.082    24.049    0.000    0.000
LGA    I    25_A      I    25_A    26.133     0    0.029   0.054    29.716    0.000    0.000
LGA    S    26_A      S    26_A    30.793     0    0.021   0.603    34.075    0.000    0.000
LGA    E    27_A      E    27_A    35.242     0    0.035   1.041    36.675    0.000    0.000
LGA    D    28_A      D    28_A    41.024     0    0.019   1.104    46.524    0.000    0.000
LGA    Y    29_A      Y    29_A    40.649     0    0.023   1.377    43.474    0.000    0.000
LGA    K    30_A      K    30_A    48.198     0    0.015   0.586    51.882    0.000    0.000
LGA    T    31_A      T    31_A    50.409     0    0.012   0.072    53.296    0.000    0.000
LGA    R    32_A      R    32_A    44.227     0    0.020   0.902    46.040    0.000    0.000
LGA    G    33_A      G    33_A    45.544     0    0.114   0.114    45.544    0.000    0.000
LGA    R    34_A      R    34_A    39.415     0    0.025   0.167    42.084    0.000    0.000
LGA    K    35_A      K    35_A    36.863     0    0.013   0.048    40.675    0.000    0.000
LGA    L    36_A      L    36_A    31.125     0    0.025   0.064    33.717    0.000    0.000
LGA    L    37_A      L    37_A    27.819     0    0.045   0.094    31.191    0.000    0.000
LGA    R    38_A      R    38_A    21.798     0    0.043   0.894    23.820    0.000    0.000
LGA    F    39_A      F    39_A    19.495     0    0.037   0.044    24.144    0.000    0.000
LGA    N    40_A      N    40_A    12.867     0    0.040   0.602    15.035    0.000    0.000
LGA    G    41_A      G    41_A    10.857     0    0.016   0.016    11.902    0.000    0.000
LGA    P    42_A      P    42_A    13.149     0    0.015   0.037    16.294    0.357    0.204
LGA    V    43_A      V    43_A     9.508     0    0.034   0.084    13.939    0.119    3.061
LGA    P    44_A      P    44_A    14.133     0    0.044   0.212    14.384    0.000    0.068
LGA    P    45_A      P    45_A    17.133     0    0.044   0.373    21.319    0.000    0.000
LGA    P    46_A      P    46_A    13.712     0    0.052   0.352    18.011    0.000    0.000
LGA    G    47_A      G    47_A    18.452     0    0.329   0.329    19.130    0.000    0.000
LGA    G    48_A      G    48_A    21.570     0    0.502   0.502    21.570    0.000    0.000
LGA    S    49_A      S    49_A    21.271     0    0.110   0.734    25.307    0.000    0.000
LGA    G    50_A      G    50_A    17.383     0    0.035   0.035    18.890    0.000    0.000
LGA    G    51_A      G    51_A    13.570     0    0.043   0.043    15.194    0.000    0.000
LGA    G    52_A      G    52_A     8.286     0    0.140   0.140     9.987   10.952   10.952
LGA    E    53_A      E    53_A     1.738     0    0.625   1.028     7.739   68.214   48.624
LGA    W    54_A      W    54_A     0.812     0    0.109   0.096     1.702   83.810   86.020
LGA    E    55_A      E    55_A     0.397     0    0.088   0.902     4.231   97.619   83.280
LGA    I    56_A      I    56_A     0.235     0    0.046   0.613     2.217  100.000   95.595
LGA    I    57_A      I    57_A     0.214     0    0.058   0.093     0.351  100.000  100.000
LGA    D    58_A      D    58_A     0.516     0    0.076   0.375     2.036   92.857   86.190
LGA    I    59_A      I    59_A     0.894     0    0.384   1.085     3.128   79.881   76.726
LGA    G    60_A      G    60_A     0.275     0    0.025   0.025     0.538   97.619   97.619
LGA    P    61_A      P    61_A     0.223     0    0.022   0.033     0.304  100.000  100.000
LGA    F    62_A      F    62_A     0.337     0    0.044   0.186     1.011  100.000   93.117
LGA    T    63_A      T    63_A     0.363     0    0.011   1.066     2.505  100.000   88.639
LGA    Q    64_A      Q    64_A     0.242     0    0.016   0.181     1.086  100.000   95.820
LGA    N    65_A      N    65_A     0.267     0    0.058   0.212     0.911  100.000   96.429
LGA    L    66_A      L    66_A     0.088     0    0.032   0.243     0.796  100.000   98.810
LGA    G    67_A      G    67_A     0.074     0    0.019   0.019     0.132  100.000  100.000
LGA    K    68_A      K    68_A     0.105     0    0.046   1.379     6.732  100.000   73.280
LGA    F    69_A      F    69_A     0.117     0    0.011   0.066     0.637  100.000   97.403
LGA    A    70_A      A    70_A     0.040     0    0.023   0.028     0.106  100.000  100.000
LGA    V    71_A      V    71_A     0.077     0    0.019   0.048     0.170  100.000  100.000
LGA    D    72_A      D    72_A     0.193     0    0.014   0.061     0.559  100.000   97.619
LGA    E    73_A      E    73_A     0.128     0    0.027   0.050     0.284  100.000  100.000
LGA    E    74_A      E    74_A     0.131     0    0.057   0.096     0.335  100.000  100.000
LGA    N    75_A      N    75_A     0.102     0    0.031   0.057     0.196  100.000  100.000
LGA    K    76_A      K    76_A     0.175     0    0.022   0.117     0.680  100.000   97.884
LGA    I    77_A      I    77_A     0.483     0    0.016   0.078     0.847   95.238   92.857
LGA    G    78_A      G    78_A     0.479     0    0.007   0.007     0.594   95.238   95.238
LGA    Q    79_A      Q    79_A     0.653     0    0.029   0.088     0.984   90.476   90.476
LGA    Y    80_A      Y    80_A     0.524     0    0.019   0.078     0.592   90.476   93.651
LGA    G    81_A      G    81_A     0.735     0    0.022   0.022     0.735   92.857   92.857
LGA    R    82_A      R    82_A     0.343     0    0.086   1.079     5.445   97.619   79.827
LGA    L    83_A      L    83_A     0.205     0    0.014   0.099     0.357  100.000  100.000
LGA    T    84_A      T    84_A     0.170     0    0.019   0.056     0.230  100.000  100.000
LGA    F    85_A      F    85_A     0.198     0    0.008   0.084     0.282  100.000  100.000
LGA    N    86_A      N    86_A     0.243     0    0.016   0.263     0.927  100.000   98.810
LGA    K    87_A      K    87_A     0.346     0    0.048   0.113     1.185  100.000   95.820
LGA    V    88_A      V    88_A     0.293     0    0.031   0.064     0.460  100.000  100.000
LGA    I    89_A      I    89_A     0.218     0    0.033   0.070     0.271  100.000  100.000
LGA    R    90_A      R    90_A     0.287     0    0.026   0.936     4.532  100.000   79.870
LGA    P    91_A      P    91_A     0.196     0    0.017   0.057     0.425  100.000  100.000
LGA    C    92_A      C    92_A     0.179     0    0.060   0.785     2.746  100.000   92.857
LGA    M    93_A      M    93_A     0.568     0    0.020   0.197     0.739   92.857   92.857
LGA    K    94_A      K    94_A     0.645     0    0.030   0.175     2.048   92.857   86.667
LGA    K    95_A      K    95_A     0.736     0    0.023   0.711     3.241   90.476   81.481
LGA    T    96_A      T    96_A     0.576     0    0.018   0.044     1.113   92.857   90.544
LGA    I    97_A      I    97_A     0.787     0    0.024   0.661     1.502   90.476   84.881
LGA    Y    98_A      Y    98_A     0.932     0    0.035   0.106     1.441   85.952   83.690
LGA    E    99_A      E    99_A     0.944     0    0.027   0.754     2.048   85.952   80.688
LGA    N   100_A      N   100_A     1.971     0    0.326   0.502     3.725   72.976   60.714

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       97     388    388  100.00     780    780  100.00                97
SUMMARY(RMSD_GDC):    16.310         16.251                 16.579           47.399   45.462

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   97    4.0     48    0.58    50.258    49.531     7.100

LGA_LOCAL      RMSD:   0.576  Number of atoms:   48  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  19.922  Number of assigned atoms:   97 
Std_ASGN_ATOMS RMSD:  16.310  Standard rmsd on all 97 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.946313 * X  +   0.217491 * Y  +  -0.239144 * Z  +   0.083625
  Y_new =  -0.191095 * X  +   0.220298 * Y  +   0.956531 * Z  +  14.496480
  Z_new =   0.260720 * X  +   0.950877 * Y  +  -0.166910 * Z  +  45.561253 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.942336 -0.263768  1.744559   [DEG: -168.5835  -15.1128   99.9559 ]
ZXZ: -2.896603  1.738491  0.267612   [DEG: -165.9632   99.6082   15.3330 ]
 
# END of job
