
#######################################################
#                                                     #
#                        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:    60      41_A - 100_A       4.95    21.52
  LCS_AVERAGE:     56.74

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49      52_A - 100_A       1.86    20.73
  LCS_AVERAGE:     46.39

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    43      54_A - 96_A        0.90    20.49
  LCS_AVERAGE:     39.88

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     42   44   47      6   29   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     I     5_A     I     5_A     42   44   47     12   31   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     K     6_A     K     6_A     42   44   47      6   26   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     G     7_A     G     7_A     42   44   47     10   31   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     Y     8_A     Y     8_A     42   44   47     10   23   32   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     E     9_A     E     9_A     42   44   47      7   23   32   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     Y    10_A     Y    10_A     42   44   47     13   26   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     Q    11_A     Q    11_A     42   44   47      7   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     L    12_A     L    12_A     42   44   47     10   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     Y    13_A     Y    13_A     42   44   47     17   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   55 
LCS_GDT     V    14_A     V    14_A     42   44   47     17   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     Y    15_A     Y    15_A     42   44   47     15   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     A    16_A     A    16_A     42   44   47     15   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     S    17_A     S    17_A     42   44   47     15   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     D    18_A     D    18_A     42   44   47     17   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     K    19_A     K    19_A     42   44   47     17   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   57   60   62 
LCS_GDT     L    20_A     L    20_A     42   44   47     17   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   55   58   60   62 
LCS_GDT     F    21_A     F    21_A     42   44   47     17   33   39   42   43   44   45   45   46   47   47   47   48   48   53   54   56   57   60   62 
LCS_GDT     R    22_A     R    22_A     42   44   47     17   33   39   42   43   44   45   45   46   47   47   47   48   50   53   54   56   56   56   59 
LCS_GDT     A    23_A     A    23_A     42   44   47     17   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   54   54 
LCS_GDT     D    24_A     D    24_A     42   44   47     11   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     I    25_A     I    25_A     42   44   47     13   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     S    26_A     S    26_A     42   44   47     16   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     E    27_A     E    27_A     42   44   47     17   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     D    28_A     D    28_A     42   44   47     17   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     Y    29_A     Y    29_A     42   44   47     17   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     K    30_A     K    30_A     42   44   47     17   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     T    31_A     T    31_A     42   44   47     13   31   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     R    32_A     R    32_A     42   44   47     13   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     G    33_A     G    33_A     42   44   47     13   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     R    34_A     R    34_A     42   44   47     15   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     K    35_A     K    35_A     42   44   47     17   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     L    36_A     L    36_A     42   44   47     17   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     L    37_A     L    37_A     42   44   47     15   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     R    38_A     R    38_A     42   44   47     14   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   50   50   51   53 
LCS_GDT     F    39_A     F    39_A     42   44   47     15   33   39   42   43   44   45   45   46   47   47   47   48   48   49   50   51   52   54   54 
LCS_GDT     N    40_A     N    40_A     42   44   47     17   33   39   42   43   44   45   45   46   47   49   50   50   51   52   54   56   56   56   57 
LCS_GDT     G    41_A     G    41_A     42   44   60     17   33   39   42   43   44   45   45   49   50   52   52   52   53   54   56   57   58   60   62 
LCS_GDT     P    42_A     P    42_A     42   44   60     17   33   39   42   43   44   45   45   47   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     V    43_A     V    43_A     42   44   60     15   33   39   42   43   44   45   45   47   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     P    44_A     P    44_A     42   44   60     11   33   39   42   43   44   45   45   46   47   47   47   48   51   55   56   57   58   60   62 
LCS_GDT     P    45_A     P    45_A     42   44   60     16   33   39   42   43   44   45   45   46   47   47   47   48   48   51   54   57   58   59   62 
LCS_GDT     P    46_A     P    46_A     42   44   60      4   20   34   40   43   44   45   45   46   47   47   47   48   50   55   56   57   58   60   62 
LCS_GDT     G    47_A     G    47_A      5   44   60      4    5    6    7    9   13   18   27   44   47   47   47   48   52   55   56   57   58   60   62 
LCS_GDT     G    48_A     G    48_A      5    7   60      4    5    6    7    9   13   15   20   22   26   33   40   47   51   55   56   57   58   60   62 
LCS_GDT     S    49_A     S    49_A      5    7   60      4    5    6    7    9   13   14   17   22   24   28   32   39   45   51   54   57   58   59   61 
LCS_GDT     G    50_A     G    50_A      5    7   60      3    3    5    7    9   13   14   17   22   24   29   35   40   49   53   56   57   58   60   62 
LCS_GDT     G    51_A     G    51_A      4    7   60      3    3    4    6    7    8   12   18   22   28   37   48   52   53   55   56   57   58   60   62 
LCS_GDT     G    52_A     G    52_A      4   49   60      3    5    7   15   21   25   33   44   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     E    53_A     E    53_A     28   49   60      3   13   29   42   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     W    54_A     W    54_A     43   49   60     23   34   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     E    55_A     E    55_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     I    56_A     I    56_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     I    57_A     I    57_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     D    58_A     D    58_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     I    59_A     I    59_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     G    60_A     G    60_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     P    61_A     P    61_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     F    62_A     F    62_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     T    63_A     T    63_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     Q    64_A     Q    64_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     N    65_A     N    65_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     L    66_A     L    66_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     G    67_A     G    67_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     K    68_A     K    68_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     F    69_A     F    69_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     A    70_A     A    70_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     V    71_A     V    71_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     D    72_A     D    72_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     E    73_A     E    73_A     43   49   60     23   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     E    74_A     E    74_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     N    75_A     N    75_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     K    76_A     K    76_A     43   49   60     21   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     I    77_A     I    77_A     43   49   60     15   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     G    78_A     G    78_A     43   49   60     23   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     Q    79_A     Q    79_A     43   49   60     15   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     Y    80_A     Y    80_A     43   49   60      5   32   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     G    81_A     G    81_A     43   49   60     16   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     R    82_A     R    82_A     43   49   60     21   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     L    83_A     L    83_A     43   49   60     21   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     T    84_A     T    84_A     43   49   60     21   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     F    85_A     F    85_A     43   49   60     23   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     N    86_A     N    86_A     43   49   60     19   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     K    87_A     K    87_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     V    88_A     V    88_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     I    89_A     I    89_A     43   49   60     15   34   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     R    90_A     R    90_A     43   49   60     22   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     P    91_A     P    91_A     43   49   60     21   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     C    92_A     C    92_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     M    93_A     M    93_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     K    94_A     K    94_A     43   49   60     24   35   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     K    95_A     K    95_A     43   49   60     14   33   42   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     T    96_A     T    96_A     43   49   60      8   21   38   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     I    97_A     I    97_A     17   49   60      8   21   36   43   46   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     Y    98_A     Y    98_A      8   49   60      3    4   10   23   42   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     E    99_A     E    99_A      8   49   60      3    4    9   14   42   48   48   48   49   51   52   52   52   53   55   56   57   58   60   62 
LCS_GDT     N   100_A     N   100_A      8   49   60      5   16   30   42   46   48   48   48   49   51   52   52   52   53   54   55   57   58   60   62 
LCS_AVERAGE  LCS_A:  47.67  (  39.88   46.39   56.74 )

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     24     35     42     43     46     48     48     48     49     51     52     52     52     53     55     56     57     58     60     62 
GDT PERCENT_AT  24.74  36.08  43.30  44.33  47.42  49.48  49.48  49.48  50.52  52.58  53.61  53.61  53.61  54.64  56.70  57.73  58.76  59.79  61.86  63.92
GDT RMS_LOCAL    0.28   0.55   0.76   0.90   1.30   1.54   1.54   1.54   1.73   2.45   2.52   2.52   2.52   2.90   4.14   4.17   4.16   4.44   4.85   5.35
GDT RMS_ALL_AT  20.41  20.47  20.47  20.49  20.59  20.68  20.68  20.68  20.68  20.85  20.82  20.82  20.82  20.88  21.33  21.28  21.24  21.34  21.21  21.26

# Checking swapping
#   possible swapping detected:  Y     8_A      Y     8_A
#   possible swapping detected:  E     9_A      E     9_A
#   possible swapping detected:  Y    13_A      Y    13_A
#   possible swapping detected:  Y    15_A      Y    15_A
#   possible swapping detected:  D    18_A      D    18_A
#   possible swapping detected:  D    24_A      D    24_A
#   possible swapping detected:  E    27_A      E    27_A
#   possible swapping detected:  Y    29_A      Y    29_A
#   possible swapping detected:  F    39_A      F    39_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  F    62_A      F    62_A
#   possible swapping detected:  Y    98_A      Y    98_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     4_A      E     4_A    48.475     4    0.637   0.603    48.940    0.000    0.000
LGA    I     5_A      I     5_A    44.390     0    0.088   1.269    47.703    0.000    0.000
LGA    K     6_A      K     6_A    44.861     0    0.091   1.389    47.334    0.000    0.000
LGA    G     7_A      G     7_A    40.858     0    0.019   0.019    41.712    0.000    0.000
LGA    Y     8_A      Y     8_A    34.370     0    0.037   0.186    42.429    0.000    0.000
LGA    E     9_A      E     9_A    28.159     0    0.025   1.035    30.023    0.000    0.000
LGA    Y    10_A      Y    10_A    24.212     0    0.124   0.245    36.053    0.000    0.000
LGA    Q    11_A      Q    11_A    17.196     0    0.157   1.139    19.607    0.000    0.000
LGA    L    12_A      L    12_A    17.916     0    0.168   0.850    24.624    0.000    0.000
LGA    Y    13_A      Y    13_A    15.847     0    0.101   0.225    20.338    0.000    0.754
LGA    V    14_A      V    14_A    20.689     0    0.079   1.194    23.047    0.000    0.000
LGA    Y    15_A      Y    15_A    23.502     0    0.074   0.157    26.918    0.000    0.000
LGA    A    16_A      A    16_A    24.966     0    0.057   0.058    24.966    0.000    0.000
LGA    S    17_A      S    17_A    26.399     0    0.032   0.715    26.469    0.000    0.000
LGA    D    18_A      D    18_A    27.252     0    0.093   0.798    33.201    0.000    0.000
LGA    K    19_A      K    19_A    20.056     0    0.048   0.804    22.508    0.000    0.000
LGA    L    20_A      L    20_A    16.468     0    0.038   0.110    17.514    0.000    0.000
LGA    F    21_A      F    21_A    11.784     0    0.086   1.248    14.190    0.000    0.000
LGA    R    22_A      R    22_A    10.415     0    0.018   1.052    12.296    0.119    1.169
LGA    A    23_A      A    23_A    16.126     0    0.119   0.145    18.306    0.000    0.000
LGA    D    24_A      D    24_A    19.856     0    0.042   1.057    23.471    0.000    0.000
LGA    I    25_A      I    25_A    27.007     0    0.045   0.536    30.946    0.000    0.000
LGA    S    26_A      S    26_A    32.509     0    0.058   0.067    35.579    0.000    0.000
LGA    E    27_A      E    27_A    38.708     0    0.027   0.257    40.947    0.000    0.000
LGA    D    28_A      D    28_A    45.097     0    0.027   0.731    51.022    0.000    0.000
LGA    Y    29_A      Y    29_A    47.488     0    0.073   1.384    51.372    0.000    0.000
LGA    K    30_A      K    30_A    54.675     0    0.060   0.863    57.973    0.000    0.000
LGA    T    31_A      T    31_A    54.752     0    0.094   1.068    54.752    0.000    0.000
LGA    R    32_A      R    32_A    49.116     0    0.047   1.123    51.317    0.000    0.000
LGA    G    33_A      G    33_A    47.254     0    0.069   0.069    48.377    0.000    0.000
LGA    R    34_A      R    34_A    39.963     0    0.041   1.220    42.892    0.000    0.000
LGA    K    35_A      K    35_A    35.228     0    0.157   1.052    39.883    0.000    0.000
LGA    L    36_A      L    36_A    28.218     0    0.111   1.129    31.003    0.000    0.000
LGA    L    37_A      L    37_A    26.072     0    0.049   0.089    30.688    0.000    0.000
LGA    R    38_A      R    38_A    19.080     0    0.045   1.101    22.347    0.000    0.000
LGA    F    39_A      F    39_A    14.514     0    0.137   1.441    17.559    0.000    0.000
LGA    N    40_A      N    40_A     7.719     0    0.162   0.278    11.230    8.690    5.655
LGA    G    41_A      G    41_A     5.944     0    0.051   0.051     6.175   21.548   21.548
LGA    P    42_A      P    42_A     9.521     0    0.050   0.067    11.962    2.976    2.109
LGA    V    43_A      V    43_A     9.463     0    0.050   0.081    13.419    0.476    4.762
LGA    P    44_A      P    44_A    15.227     0    0.093   0.198    16.186    0.000    0.000
LGA    P    45_A      P    45_A    17.846     0    0.694   0.812    21.704    0.000    0.000
LGA    P    46_A      P    46_A    14.790     0    0.680   0.649    16.341    0.000    0.000
LGA    G    47_A      G    47_A    13.319     0    0.077   0.077    14.679    0.000    0.000
LGA    G    48_A      G    48_A    14.569     0    0.511   0.511    17.372    0.000    0.000
LGA    S    49_A      S    49_A    17.981     0    0.599   0.588    20.455    0.000    0.000
LGA    G    50_A      G    50_A    16.709     0    0.172   0.172    16.939    0.000    0.000
LGA    G    51_A      G    51_A    12.201     0    0.175   0.175    14.094    0.000    0.000
LGA    G    52_A      G    52_A     7.701     0    0.153   0.153     8.892   15.595   15.595
LGA    E    53_A      E    53_A     2.224     0    0.186   1.293     4.252   62.024   53.968
LGA    W    54_A      W    54_A     1.349     0    0.178   0.364     2.230   81.548   69.558
LGA    E    55_A      E    55_A     1.685     0    0.045   0.828     5.399   75.000   59.471
LGA    I    56_A      I    56_A     1.447     0    0.038   0.633     3.239   77.143   74.286
LGA    I    57_A      I    57_A     1.111     0    0.042   0.073     1.240   85.952   85.952
LGA    D    58_A      D    58_A     0.709     0    0.035   0.979     4.715   90.476   72.143
LGA    I    59_A      I    59_A     0.311     0    0.084   0.111     0.397  100.000  100.000
LGA    G    60_A      G    60_A     0.339     0    0.046   0.046     0.784   95.238   95.238
LGA    P    61_A      P    61_A     0.969     0    0.036   0.103     1.457   85.952   84.014
LGA    F    62_A      F    62_A     1.156     0    0.031   0.183     2.518   81.429   73.117
LGA    T    63_A      T    63_A     0.704     0    0.034   0.102     0.878   90.476   90.476
LGA    Q    64_A      Q    64_A     0.591     0    0.035   0.351     1.093   90.476   90.529
LGA    N    65_A      N    65_A     1.247     0    0.053   0.271     1.891   81.429   79.286
LGA    L    66_A      L    66_A     1.138     0    0.065   1.244     3.321   83.690   77.560
LGA    G    67_A      G    67_A     0.383     0    0.030   0.030     0.684   97.619   97.619
LGA    K    68_A      K    68_A     0.877     0    0.033   0.464     2.762   85.952   79.788
LGA    F    69_A      F    69_A     1.433     0    0.041   0.184     3.818   81.429   64.286
LGA    A    70_A      A    70_A     1.033     0    0.025   0.026     1.049   85.952   85.048
LGA    V    71_A      V    71_A     0.271     0    0.038   0.114     0.836   97.619   97.279
LGA    D    72_A      D    72_A     1.364     0    0.034   0.096     2.492   83.690   75.238
LGA    E    73_A      E    73_A     1.707     0    0.033   0.145     3.218   77.143   67.037
LGA    E    74_A      E    74_A     0.984     0    0.034   0.273     2.094   88.214   80.794
LGA    N    75_A      N    75_A     0.749     0    0.084   0.253     0.963   90.476   90.476
LGA    K    76_A      K    76_A     1.773     0    0.081   0.684     2.739   75.000   68.466
LGA    I    77_A      I    77_A     1.797     0    0.022   1.166     2.844   72.857   67.917
LGA    G    78_A      G    78_A     0.931     0    0.051   0.051     1.392   83.690   83.690
LGA    Q    79_A      Q    79_A     2.302     0    0.050   1.057     6.054   64.881   54.656
LGA    Y    80_A      Y    80_A     2.419     0    0.102   0.255     4.395   64.762   54.603
LGA    G    81_A      G    81_A     1.657     0    0.046   0.046     1.832   79.405   79.405
LGA    R    82_A      R    82_A     1.847     0    0.048   0.751     2.916   66.905   64.199
LGA    L    83_A      L    83_A     1.823     0    0.061   0.780     3.797   72.857   70.238
LGA    T    84_A      T    84_A     2.373     0    0.100   1.156     5.238   64.762   54.218
LGA    F    85_A      F    85_A     1.373     0    0.070   0.105     1.743   75.000   81.558
LGA    N    86_A      N    86_A     1.946     0    0.024   1.074     4.783   72.857   65.774
LGA    K    87_A      K    87_A     0.684     0    0.074   0.671     3.022   90.595   86.032
LGA    V    88_A      V    88_A     0.274     0    0.061   0.074     0.419  100.000  100.000
LGA    I    89_A      I    89_A     0.819     0    0.049   0.092     2.011   92.857   83.988
LGA    R    90_A      R    90_A     0.971     0    0.058   1.104     5.727   85.952   71.905
LGA    P    91_A      P    91_A     0.966     0    0.055   0.471     2.455   90.476   82.993
LGA    C    92_A      C    92_A     0.609     0    0.102   0.103     0.802   90.476   90.476
LGA    M    93_A      M    93_A     1.358     0    0.050   0.821     4.147   81.429   71.667
LGA    K    94_A      K    94_A     1.337     0    0.056   1.027     4.310   81.429   71.005
LGA    K    95_A      K    95_A     1.112     0    0.030   0.959     2.832   85.952   78.889
LGA    T    96_A      T    96_A     0.953     0    0.132   0.892     3.767   83.810   71.633
LGA    I    97_A      I    97_A     1.013     0    0.129   1.096     3.201   71.190   67.262
LGA    Y    98_A      Y    98_A     3.827     0    0.040   0.141     9.858   57.619   26.071
LGA    E    99_A      E    99_A     3.649     0    0.059   1.123     5.663   42.024   33.280
LGA    N   100_A      N   100_A     2.420     0    0.286   1.068     6.169   55.714   44.702

# 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):    17.895         17.915                 18.079           40.421   37.313

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   97    4.0     48    1.54    46.907    48.020     2.933

LGA_LOCAL      RMSD:   1.536  Number of atoms:   48  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  20.685  Number of assigned atoms:   97 
Std_ASGN_ATOMS RMSD:  17.895  Standard rmsd on all 97 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.677822 * X  +  -0.548058 * Y  +  -0.490092 * Z  +   9.987587
  Y_new =  -0.327162 * X  +   0.372120 * Y  +  -0.868615 * Z  +  23.806391
  Z_new =   0.658424 * X  +   0.749106 * Y  +   0.072928 * Z  +  30.468729 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.449685 -0.718723  1.473749   [DEG:  -25.7650  -41.1798   84.4396 ]
ZXZ: -0.513697  1.497804  0.721061   [DEG:  -29.4326   85.8178   41.3138 ]
 
# END of job
