
#######################################################
#                                                     #
#                        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  124 ( 1034),  selected  104 , name one
# Molecule2: number of CA atoms  104 (  843),  selected  104 , 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:   104      17_A - 120_A       2.69     2.69
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76      17_A - 92_A        1.97     2.88
  LCS_AVERAGE:     61.70

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    45      17_A - 61_A        0.83     4.00
  LCS_AVERAGE:     33.97

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  104
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     K    17_A     K    17_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     E    18_A     E    18_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     E    19_A     E    19_A     45   76  104     23   58   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     M    20_A     M    20_A     45   76  104     26   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     N    21_A     N    21_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     K    22_A     K    22_A     45   76  104     13   58   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     V    23_A     V    23_A     45   76  104     26   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     H    24_A     H    24_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     N    25_A     N    25_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     I    26_A     I    26_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     K    27_A     K    27_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     C    28_A     C    28_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     H    29_A     H    29_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     F    30_A     F    30_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     D    31_A     D    31_A     45   76  104     27   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     N    32_A     N    32_A     45   76  104     13   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     C    33_A     C    33_A     45   76  104     27   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     N    34_A     N    34_A     45   76  104      6   41   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     R    35_A     R    35_A     45   76  104     25   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     K    36_A     K    36_A     45   76  104     31   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     I    37_A     I    37_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     H    38_A     H    38_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     W    39_A     W    39_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     K    40_A     K    40_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     I    41_A     I    41_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     R    42_A     R    42_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     Y    43_A     Y    43_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     G    44_A     G    44_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     K    45_A     K    45_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     L    46_A     L    46_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     R    47_A     R    47_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     L    48_A     L    48_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     V    49_A     V    49_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     D    50_A     D    50_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     H    51_A     H    51_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     A    52_A     A    52_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     L    53_A     L    53_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     S    54_A     S    54_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     H    55_A     H    55_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     Q    56_A     Q    56_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     E    57_A     E    57_A     45   76  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     E    58_A     E    58_A     45   76  104      9   59   63   68   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     K    59_A     K    59_A     45   76  104     26   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     S    60_A     S    60_A     45   76  104     26   34   52   67   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     I    61_A     I    61_A     45   76  104     26   34   56   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     D    62_A     D    62_A     40   76  104     26   34   46   67   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     C    63_A     C    63_A     37   76  104     26   34   46   63   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     Q    64_A     Q    64_A     37   76  104     18   34   46   54   74   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     K    65_A     K    65_A     37   76  104     26   34   46   54   73   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     C    66_A     C    66_A     37   76  104     26   34   46   54   77   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     E    67_A     E    67_A     37   76  104     26   34   46   57   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     Y    68_A     Y    68_A     37   76  104     26   34   46   67   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     S    69_A     S    69_A     37   76  104     26   34   55   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     C    70_A     C    70_A     37   76  104     26   37   62   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     Q    71_A     Q    71_A     37   76  104     26   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     T    72_A     T    72_A     37   76  104     26   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     T    73_A     T    73_A     37   76  104     26   55   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     R    74_A     R    74_A     37   76  104     26   34   57   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     Q    75_A     Q    75_A     37   76  104     26   34   46   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     M    76_A     M    76_A     37   76  104     26   34   52   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     R    77_A     R    77_A     37   76  104     26   34   46   68   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     Y    78_A     Y    78_A     37   76  104     26   34   46   63   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     H    79_A     H    79_A     37   76  104     26   34   46   63   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     Y    80_A     Y    80_A     37   76  104     26   34   46   62   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     K    81_A     K    81_A     37   76  104     26   34   46   54   77   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     K    82_A     K    82_A     37   76  104     26   34   46   54   73   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     I    83_A     I    83_A     37   76  104     26   34   46   54   73   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     H    84_A     H    84_A     37   76  104     26   34   46   54   73   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     A    85_A     A    85_A     37   76  104     26   34   46   54   71   89   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     N    86_A     N    86_A     37   76  104     13   34   46   54   66   89   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     L    87_A     L    87_A     37   76  104      9   34   46   54   73   89   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     K    88_A     K    88_A     37   76  104      5   24   46   54   77   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     M    89_A     M    89_A     37   76  104      4   31   46   63   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     E    90_A     E    90_A     37   76  104     10   34   46   63   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     G    91_A     G    91_A     37   76  104      4   31   40   51   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     F    92_A     F    92_A     37   76  104      4   18   58   69   77   88   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     G    93_A     G    93_A      7   62  104      3    7    9   55   69   74   79   92   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     I    94_A     I    94_A      7   58  104      3    7    9   15   26   32   40   46   72   79   86   99  104  104  104  104  104  104  104  104 
LCS_GDT     L    95_A     L    95_A      7   54  104      3    7    9   16   29   38   58   68   76   82   99  103  104  104  104  104  104  104  104  104 
LCS_GDT     N    96_A     N    96_A      7   45  104      3    6   12   28   37   56   70   80   93  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     I    97_A     I    97_A      5   45  104      3    6   17   41   58   69   79   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     P    98_A     P    98_A      5   40  104      3    4    6   29   58   67   79   92   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     L    99_A     L    99_A     21   27  104      4   39   61   66   72   76   85   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     Q   100_A     Q   100_A     21   27  104      4    4   44   61   68   71   75   79   83   90  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     N   101_A     N   101_A     21   27  104      4   27   54   63   68   72   76   84   91   99  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     T   102_A     T   102_A     21   27  104      7   39   59   66   72   76   86   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     K   103_A     K   103_A     21   27  104     31   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     F   104_A     F   104_A     21   27  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     S   105_A     S   105_A     21   27  104     28   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     D   106_A     D   106_A     21   27  104     38   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     V   107_A     V   107_A     21   27  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     W   108_A     W   108_A     21   27  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     N   109_A     N   109_A     21   27  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     K   110_A     K   110_A     21   27  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     C   111_A     C   111_A     21   27  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     F   112_A     F   112_A     21   27  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     G   113_A     G   113_A     21   27  104     38   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     D   114_A     D   114_A     21   27  104     34   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     Q   115_A     Q   115_A     21   27  104     34   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     L   116_A     L   116_A     21   27  104     27   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     K   117_A     K   117_A     21   27  104     24   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     T   118_A     T   118_A     21   27  104     39   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     I   119_A     I   119_A     21   27  104     34   59   63   69   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_GDT     G   120_A     G   120_A     20   26  104      3   27   59   68   79   90   94   96   99  100  101  103  104  104  104  104  104  104  104  104 
LCS_AVERAGE  LCS_A:  65.22  (  33.97   61.70  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     39     59     63     69     79     90     94     96     99    100    101    103    104    104    104    104    104    104    104    104 
GDT PERCENT_AT  37.50  56.73  60.58  66.35  75.96  86.54  90.38  92.31  95.19  96.15  97.12  99.04 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.56   0.65   1.06   1.54   1.91   2.00   2.09   2.26   2.33   2.39   2.57   2.69   2.69   2.69   2.69   2.69   2.69   2.69   2.69
GDT RMS_ALL_AT   4.66   4.22   4.12   3.42   2.87   2.74   2.76   2.74   2.71   2.70   2.70   2.69   2.69   2.69   2.69   2.69   2.69   2.69   2.69   2.69

# Checking swapping
#   possible swapping detected:  D    31_A      D    31_A
#   possible swapping detected:  Y    43_A      Y    43_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  D    62_A      D    62_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  D   106_A      D   106_A
#   possible swapping detected:  F   112_A      F   112_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    17_A      K    17_A     2.073     4    0.053   0.057     2.446   73.095   39.683
LGA    E    18_A      E    18_A     0.949     4    0.088   0.096     1.356   85.952   47.249
LGA    E    19_A      E    19_A     2.042     4    0.141   0.147     2.954   72.976   38.783
LGA    M    20_A      M    20_A     1.654     0    0.017   0.709     3.800   77.143   66.429
LGA    N    21_A      N    21_A     0.439     0    0.036   0.910     2.382   95.238   89.643
LGA    K    22_A      K    22_A     1.257     0    0.011   0.331     4.381   85.952   69.524
LGA    V    23_A      V    23_A     1.195     0    0.005   0.037     1.626   81.429   80.204
LGA    H    24_A      H    24_A     0.865     0    0.097   0.148     1.961   90.476   85.143
LGA    N    25_A      N    25_A     1.771     0    0.055   0.252     3.513   72.857   65.179
LGA    I    26_A      I    26_A     0.980     0    0.017   0.056     1.289   83.690   88.274
LGA    K    27_A      K    27_A     1.375     0    0.012   0.260     2.301   81.429   74.868
LGA    C    28_A      C    28_A     1.478     0    0.062   0.076     2.335   75.119   75.794
LGA    H    29_A      H    29_A     2.026     0    0.036   1.143     3.986   66.786   63.571
LGA    F    30_A      F    30_A     1.791     0    0.029   0.051     2.459   68.810   75.281
LGA    D    31_A      D    31_A     2.587     0    0.036   0.195     3.490   59.048   56.310
LGA    N    32_A      N    32_A     2.792     0    0.025   0.235     2.977   57.143   57.143
LGA    C    33_A      C    33_A     2.674     0    0.501   0.528     5.121   47.619   53.333
LGA    N    34_A      N    34_A     1.587     0    0.029   0.170     1.804   72.857   73.929
LGA    R    35_A      R    35_A     1.820     0    0.047   0.892     2.565   72.857   72.251
LGA    K    36_A      K    36_A     1.924     0    0.025   0.779     5.027   68.810   59.206
LGA    I    37_A      I    37_A     1.839     0    0.017   0.655     2.441   75.000   72.917
LGA    H    38_A      H    38_A     1.627     0    0.138   1.132     4.952   75.000   63.143
LGA    W    39_A      W    39_A     0.873     0    0.079   0.220     1.091   88.214   91.190
LGA    K    40_A      K    40_A     0.771     0    0.024   0.112     1.639   85.952   84.497
LGA    I    41_A      I    41_A     1.447     0    0.009   0.063     2.026   75.119   75.060
LGA    R    42_A      R    42_A     1.942     0    0.050   1.019    10.293   66.905   39.134
LGA    Y    43_A      Y    43_A     2.195     0    0.021   0.208     2.482   64.762   68.135
LGA    G    44_A      G    44_A     2.329     0    0.072   0.072     2.329   66.786   66.786
LGA    K    45_A      K    45_A     2.071     0    0.082   0.642     2.735   64.762   64.815
LGA    L    46_A      L    46_A     2.777     0    0.033   0.182     4.284   57.143   51.131
LGA    R    47_A      R    47_A     2.362     0    0.060   1.436     9.453   66.786   43.333
LGA    L    48_A      L    48_A     1.567     0    0.020   0.152     1.872   72.857   78.274
LGA    V    49_A      V    49_A     2.190     0    0.009   0.024     2.728   64.762   62.585
LGA    D    50_A      D    50_A     2.625     0    0.003   0.151     3.604   62.857   56.488
LGA    H    51_A      H    51_A     1.823     0    0.013   0.237     2.515   70.833   69.714
LGA    A    52_A      A    52_A     1.216     0    0.012   0.016     1.438   81.429   81.429
LGA    L    53_A      L    53_A     2.009     0    0.011   0.098     2.839   66.786   63.869
LGA    S    54_A      S    54_A     2.300     0    0.017   0.025     2.625   66.786   64.841
LGA    H    55_A      H    55_A     1.219     0    0.042   0.124     1.899   83.810   80.714
LGA    Q    56_A      Q    56_A     1.290     0    0.028   0.637     2.254   75.119   73.016
LGA    E    57_A      E    57_A     2.262     4    0.080   0.087     2.760   62.976   35.185
LGA    E    58_A      E    58_A     2.741     4    0.026   0.037     3.154   64.881   34.392
LGA    K    59_A      K    59_A     2.081     0    0.186   0.522     3.198   62.857   67.778
LGA    S    60_A      S    60_A     2.718     0    0.071   0.699     4.040   60.952   55.159
LGA    I    61_A      I    61_A     1.723     0    0.018   0.646     3.772   72.976   71.369
LGA    D    62_A      D    62_A     1.633     0    0.023   0.049     2.349   72.857   70.833
LGA    C    63_A      C    63_A     1.598     0    0.053   0.092     1.945   75.000   75.714
LGA    Q    64_A      Q    64_A     2.903     0    0.035   0.967     3.554   55.476   53.280
LGA    K    65_A      K    65_A     3.044     0    0.071   0.257     4.799   55.357   48.836
LGA    C    66_A      C    66_A     2.611     0    0.021   0.063     2.725   60.952   60.952
LGA    E    67_A      E    67_A     1.981     4    0.086   0.083     2.212   77.381   41.587
LGA    Y    68_A      Y    68_A     0.808     0    0.017   0.066     1.290   85.952   91.349
LGA    S    69_A      S    69_A     0.767     0    0.020   0.071     1.181   92.857   89.048
LGA    C    70_A      C    70_A     1.258     0    0.021   0.066     1.613   77.143   80.079
LGA    Q    71_A      Q    71_A     2.141     0    0.054   0.609     3.024   61.190   65.873
LGA    T    72_A      T    72_A     2.655     0    0.018   0.054     3.300   64.881   60.544
LGA    T    73_A      T    73_A     2.002     0    0.041   0.165     2.863   70.952   66.122
LGA    R    74_A      R    74_A     1.813     0    0.005   1.440     5.610   75.000   61.818
LGA    Q    75_A      Q    75_A     1.560     0    0.013   0.205     3.389   77.143   68.677
LGA    M    76_A      M    76_A     0.369     0    0.025   0.086     0.919   97.619   94.048
LGA    R    77_A      R    77_A     0.419     0    0.031   1.151     5.471   92.976   74.762
LGA    Y    78_A      Y    78_A     1.532     0    0.014   0.028     3.216   75.000   65.714
LGA    H    79_A      H    79_A     1.205     0    0.010   0.071     1.777   79.286   82.381
LGA    Y    80_A      Y    80_A     1.599     0    0.012   0.331     2.428   70.952   73.651
LGA    K    81_A      K    81_A     2.368     0    0.007   0.936     3.065   61.190   66.984
LGA    K    82_A      K    82_A     2.906     0    0.020   0.264     3.404   53.571   54.762
LGA    I    83_A      I    83_A     2.886     0    0.042   0.039     3.213   55.357   56.250
LGA    H    84_A      H    84_A     2.919     0    0.042   0.058     3.009   55.357   57.952
LGA    A    85_A      A    85_A     3.318     0    0.027   0.026     3.686   48.333   48.667
LGA    N    86_A      N    86_A     3.742     3    0.101   0.102     4.039   43.333   26.310
LGA    L    87_A      L    87_A     3.179     0    0.054   1.153     6.242   53.571   44.524
LGA    K    88_A      K    88_A     2.580     0    0.010   0.628     5.579   60.952   54.127
LGA    M    89_A      M    89_A     1.550     0    0.071   0.691     1.983   75.000   75.000
LGA    E    90_A      E    90_A     1.375     0    0.038   0.550     4.022   75.119   64.921
LGA    G    91_A      G    91_A     2.966     0    0.201   0.201     4.400   52.262   52.262
LGA    F    92_A      F    92_A     3.229     0    0.045   0.063     4.451   45.357   57.879
LGA    G    93_A      G    93_A     5.638     0    0.099   0.099     6.783   19.881   19.881
LGA    I    94_A      I    94_A     8.805     0    0.029   1.237    12.640    3.333    2.083
LGA    L    95_A      L    95_A     8.411     0    0.029   0.170     9.830    5.357    3.452
LGA    N    96_A      N    96_A     6.463     0    0.576   1.101     7.670   13.690   18.869
LGA    I    97_A      I    97_A     5.141     0    0.095   0.126     5.426   30.238   32.976
LGA    P    98_A      P    98_A     5.845     0    0.038   0.055     7.387   22.619   17.687
LGA    L    99_A      L    99_A     4.496     0    0.646   0.503     5.250   30.238   39.286
LGA    Q   100_A      Q   100_A     6.684     0    0.388   0.493    11.661   18.333    8.995
LGA    N   101_A      N   101_A     5.998     0    0.201   0.784     6.104   24.048   26.190
LGA    T   102_A      T   102_A     4.584     0    0.019   1.093     7.185   39.048   31.293
LGA    K   103_A      K   103_A     2.122     0    0.049   0.932     3.257   67.262   67.884
LGA    F   104_A      F   104_A     2.140     0    0.004   0.181     3.121   66.786   60.736
LGA    S   105_A      S   105_A     2.633     0    0.020   0.034     3.332   60.952   57.302
LGA    D   106_A      D   106_A     1.964     0    0.016   0.108     3.157   75.119   67.202
LGA    V   107_A      V   107_A     0.752     0    0.014   0.997     2.434   88.214   81.837
LGA    W   108_A      W   108_A     1.054     0    0.029   0.022     1.738   83.690   79.626
LGA    N   109_A      N   109_A     1.835     0    0.050   0.759     6.141   72.857   55.952
LGA    K   110_A      K   110_A     1.627     0    0.021   0.809     4.183   75.000   65.450
LGA    C   111_A      C   111_A     1.063     0    0.008   0.075     1.302   81.429   84.444
LGA    F   112_A      F   112_A     1.105     0    0.058   0.039     1.511   79.286   88.139
LGA    G   113_A      G   113_A     1.615     0    0.036   0.036     1.762   75.000   75.000
LGA    D   114_A      D   114_A     1.894     3    0.065   0.065     2.159   70.833   43.512
LGA    Q   115_A      Q   115_A     1.305     0    0.011   0.238     1.568   81.429   81.481
LGA    L   116_A      L   116_A     1.475     0    0.045   1.089     3.264   77.143   74.405
LGA    K   117_A      K   117_A     1.923     0    0.014   0.781     2.146   72.857   76.984
LGA    T   118_A      T   118_A     1.691     0    0.061   0.073     1.837   72.857   74.082
LGA    I   119_A      I   119_A     1.248     0    0.199   1.206     2.753   73.214   73.214
LGA    G   120_A      G   120_A     2.455     0    0.110   0.110     2.683   62.976   62.976

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      104     416    416  100.00     843    843  100.00               104
SUMMARY(RMSD_GDC):     2.685          2.683                  2.963           66.218   61.563

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0     96    2.09    78.846    77.797     4.387

LGA_LOCAL      RMSD:   2.088  Number of atoms:   96  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.742  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:   2.685  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.036113 * X  +  -0.468584 * Y  +   0.882680 * Z  +  -0.169979
  Y_new =   0.428348 * X  +  -0.790748 * Y  +  -0.437306 * Z  +   2.511562
  Z_new =   0.902892 * X  +   0.393887 * Y  +   0.172160 * Z  +  -1.138822 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.486687 -1.126451  1.158738   [DEG:   85.1809  -64.5409   66.3908 ]
ZXZ:  1.110812  1.397774  1.159436   [DEG:   63.6448   80.0866   66.4308 ]
 
# END of job
