
#######################################################
#                                                     #
#                        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  107 (  851),  selected  106 , name one
# Molecule2: number of CA atoms  106 (  830),  selected  106 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   106       2_B - 107_B       4.25     4.25
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    80       2_B - 81_B        1.50     4.62
  LCS_AVERAGE:     60.22

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77       3_B - 79_B        0.98     4.69
  LONGEST_CONTINUOUS_SEGMENT:    77       4_B - 80_B        0.93     4.66
  LCS_AVERAGE:     55.66

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  106
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     G     2_B     G     2_B     29   80  106      0    4   42   72   86   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     V     3_B     V     3_B     77   80  106      8   18   53   72   86   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     S     4_B     S     4_B     77   80  106      3   42   78   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     D     5_B     D     5_B     77   80  106      3   46   79   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     V     6_B     V     6_B     77   80  106     54   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     P     7_B     P     7_B     77   80  106     59   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     R     8_B     R     8_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     D     9_B     D     9_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     L    10_B     L    10_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     E    11_B     E    11_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     V    12_B     V    12_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     V    13_B     V    13_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     A    14_B     A    14_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     A    15_B     A    15_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     T    16_B     T    16_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     P    17_B     P    17_B     77   80  106     60   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     T    18_B     T    18_B     77   80  106     58   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     S    19_B     S    19_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     L    20_B     L    20_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     L    21_B     L    21_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     I    22_B     I    22_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     S    23_B     S    23_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     W    24_B     W    24_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     D    25_B     D    25_B     77   80  106     57   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     A    26_B     A    26_B     77   80  106     49   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     P    27_B     P    27_B     77   80  106      3   69   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     P    28_B     P    28_B     77   80  106      3   21   69   84   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     Y    29_B     Y    29_B     77   80  106     13   44   79   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     Y    30_B     Y    30_B     77   80  106     18   72   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     V    31_B     V    31_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     R    32_B     R    32_B     77   80  106     31   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     Y    33_B     Y    33_B     77   80  106     59   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     Y    34_B     Y    34_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     R    35_B     R    35_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     I    36_B     I    36_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     T    37_B     T    37_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     Y    38_B     Y    38_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     G    39_B     G    39_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     E    40_B     E    40_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     T    41_B     T    41_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     G    42_B     G    42_B     77   80  106     46   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     G    43_B     G    43_B     77   80  106      4   73   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     N    44_B     N    44_B     77   80  106      4   31   81   85   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     S    45_B     S    45_B     77   80  106      4   31   74   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     P    46_B     P    46_B     77   80  106      4   12   74   84   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     V    47_B     V    47_B     77   80  106     56   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     Q    48_B     Q    48_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     E    49_B     E    49_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     F    50_B     F    50_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     T    51_B     T    51_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     V    52_B     V    52_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     P    53_B     P    53_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     G    54_B     G    54_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     S    55_B     S    55_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     K    56_B     K    56_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     S    57_B     S    57_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     T    58_B     T    58_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     A    59_B     A    59_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     T    60_B     T    60_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     I    61_B     I    61_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     S    62_B     S    62_B     77   80  106     54   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     G    63_B     G    63_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     L    64_B     L    64_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     K    65_B     K    65_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     P    66_B     P    66_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     G    67_B     G    67_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     V    68_B     V    68_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     D    69_B     D    69_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     Y    70_B     Y    70_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     T    71_B     T    71_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     I    72_B     I    72_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     T    73_B     T    73_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     V    74_B     V    74_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     Y    75_B     Y    75_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     A    76_B     A    76_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     E    77_B     E    77_B     77   80  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     H    78_B     H    78_B     77   80  106     17   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     P    79_B     P    79_B     77   80  106     17   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     Y    80_B     Y    80_B     77   80  106      4   73   81   85   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     Y    81_B     Y    81_B      5   80  106      4    5    5    5    6    6    7   22   39   61   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     D    82_B     D    82_B      5   79  106      4    5    5    5    6    6    8   10   14   19   42   49   71   99   99  100  100  102  103  104 
LCS_GDT     P    83_B     P    83_B      5    6  106      4    5    5    5    6    6    8   12   14   16   23   28   40   65   85   90   99  101  102  103 
LCS_GDT     S    84_B     S    84_B      5    6  106      4    5    5    5    6    8   11   13   15   21   29   39   49   64   85   91   99  101  102  103 
LCS_GDT     S    85_B     S    85_B      3    6  106      3    3    5    9   15   21   28   44   65   79   91   95   97   99   99  100  100  103  103  104 
LCS_GDT     S    86_B     S    86_B      3    6  106      3    4    5   10   16   21   28   43   65   79   91   95   97   99   99  100  100  103  103  104 
LCS_GDT     Y    87_B     Y    87_B      3    6  106      3    3    5    7    7   13   17   22   32   45   61   83   97   99   99  100  100  103  103  104 
LCS_GDT     Y    88_B     Y    88_B      3   15  106      3    3    5    7   15   20   23   32   54   78   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     F    89_B     F    89_B      3   15  106      3    3    5   10   15   36   86   91   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     S    90_B     S    90_B     13   15  106     11   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     S    91_B     S    91_B     13   15  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     K    92_B     K    92_B     13   15  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     P    93_B     P    93_B     13   15  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     I    94_B     I    94_B     13   15  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     S    95_B     S    95_B     13   15  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     I    96_B     I    96_B     13   15  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     N    97_B     N    97_B     13   15  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     Y    98_B     Y    98_B     13   15  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     R    99_B     R    99_B     13   15  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     T   100_B     T   100_B     13   15  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     P   101_B     P   101_B     13   15  106     61   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     H   102_B     H   102_B     13   15  106     47   77   81   86   89   91   92   92   93   94   94   95   97   99   99  100  100  103  103  104 
LCS_GDT     H   103_B     H   103_B      3   15  106      3    4    4    8   51   80   86   89   92   94   94   94   96   96   99  100  100  103  103  104 
LCS_GDT     H   104_B     H   104_B      3    5  106      1    3    4    6    9   11   15   21   27   46   51   62   65   79   95   98  100  103  103  104 
LCS_GDT     H   105_B     H   105_B      3    4  106      3    3    3    7   10   11   16   21   29   54   58   91   92   93   96   98  100  103  103  104 
LCS_GDT     H   106_B     H   106_B      3    4  106      3    3    3    8   22   28   34   40   47   77   81   91   92   93   96   98  100  103  103  104 
LCS_GDT     H   107_B     H   107_B      3    4  106      3    3    3    4    6   28   34   38   47   77   81   91   92   93   96   98   99  103  103  104 
LCS_AVERAGE  LCS_A:  71.96  (  55.66   60.22  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     61     77     81     86     89     91     92     92     93     94     94     95     97     99     99    100    100    103    103    104 
GDT PERCENT_AT  57.55  72.64  76.42  81.13  83.96  85.85  86.79  86.79  87.74  88.68  88.68  89.62  91.51  93.40  93.40  94.34  94.34  97.17  97.17  98.11
GDT RMS_LOCAL    0.26   0.40   0.51   0.73   0.83   0.96   1.02   1.02   1.16   1.33   1.33   1.70   2.48   2.90   2.90   2.98   2.98   3.60   3.62   3.75
GDT RMS_ALL_AT   4.63   4.63   4.62   4.66   4.65   4.67   4.68   4.68   4.66   4.66   4.66   4.57   4.43   4.40   4.40   4.38   4.38   4.32   4.28   4.28

# Checking swapping
#   possible swapping detected:  E    11_B      E    11_B
#   possible swapping detected:  Y    30_B      Y    30_B
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  Y    34_B      Y    34_B
#   possible swapping detected:  E    40_B      E    40_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  Y    75_B      Y    75_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  Y    81_B      Y    81_B
#   possible swapping detected:  Y    88_B      Y    88_B
#   possible swapping detected:  F    89_B      F    89_B
#   possible swapping detected:  Y    98_B      Y    98_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     2_B      G     2_B     3.515     0    0.563   0.563     4.005   52.619   52.619
LGA    V     3_B      V     3_B     3.400     0    0.603   1.205     4.451   50.119   46.327
LGA    S     4_B      S     4_B     2.348     0    0.097   0.843     5.360   61.071   54.603
LGA    D     5_B      D     5_B     1.900     0    0.316   0.823     3.944   67.143   61.369
LGA    V     6_B      V     6_B     0.533     0    0.058   0.162     0.877   95.238   93.197
LGA    P     7_B      P     7_B     0.395     0    0.046   0.227     0.830  100.000   98.639
LGA    R     8_B      R     8_B     0.360     0    0.050   1.244     5.669  100.000   73.723
LGA    D     9_B      D     9_B     0.428     0    0.034   0.212     0.986  100.000   96.429
LGA    L    10_B      L    10_B     0.329     0    0.023   0.105     0.454  100.000  100.000
LGA    E    11_B      E    11_B     0.132     0    0.040   0.854     2.275  100.000   85.238
LGA    V    12_B      V    12_B     0.168     0    0.033   0.099     0.343  100.000  100.000
LGA    V    13_B      V    13_B     0.335     0    0.036   1.096     2.588  100.000   88.639
LGA    A    14_B      A    14_B     0.246     0    0.049   0.059     0.414  100.000  100.000
LGA    A    15_B      A    15_B     0.201     0    0.013   0.032     0.214  100.000  100.000
LGA    T    16_B      T    16_B     0.270     0    0.073   0.811     2.108   97.619   89.728
LGA    P    17_B      P    17_B     0.465     0    0.047   0.096     1.028  100.000   94.626
LGA    T    18_B      T    18_B     0.384     0    0.182   0.204     0.964   97.619   94.558
LGA    S    19_B      S    19_B     0.138     0    0.051   0.648     1.520  100.000   93.889
LGA    L    20_B      L    20_B     0.165     0    0.084   0.177     0.462  100.000  100.000
LGA    L    21_B      L    21_B     0.459     0    0.028   0.123     1.047  100.000   95.298
LGA    I    22_B      I    22_B     0.408     0    0.043   0.133     0.608   97.619   98.810
LGA    S    23_B      S    23_B     0.226     0    0.031   0.076     0.486  100.000  100.000
LGA    W    24_B      W    24_B     0.215     0    0.060   0.130     0.693  100.000   97.959
LGA    D    25_B      D    25_B     0.624     0    0.041   0.184     1.010   90.476   90.536
LGA    A    26_B      A    26_B     0.655     0    0.103   0.127     1.120   88.214   88.667
LGA    P    27_B      P    27_B     1.391     0    0.046   0.156     1.906   77.143   79.048
LGA    P    28_B      P    28_B     2.800     0    0.702   0.792     5.333   49.524   48.912
LGA    Y    29_B      Y    29_B     2.194     0    0.101   1.360     9.869   70.833   40.516
LGA    Y    30_B      Y    30_B     1.627     0    0.058   1.061     7.896   77.143   48.175
LGA    V    31_B      V    31_B     0.630     0    0.072   0.076     0.988   92.857   94.558
LGA    R    32_B      R    32_B     1.145     0    0.068   1.340     7.033   81.429   57.922
LGA    Y    33_B      Y    33_B     0.983     0    0.099   1.358     7.542   88.214   60.476
LGA    Y    34_B      Y    34_B     0.770     0    0.081   0.097     1.108   88.214   91.310
LGA    R    35_B      R    35_B     0.465     0    0.066   0.948     3.457   97.619   89.567
LGA    I    36_B      I    36_B     0.562     0    0.037   0.314     1.018   92.857   90.536
LGA    T    37_B      T    37_B     0.266     0    0.026   0.111     0.552  100.000   98.639
LGA    Y    38_B      Y    38_B     0.129     0    0.013   0.121     0.376  100.000  100.000
LGA    G    39_B      G    39_B     0.209     0    0.030   0.030     0.309  100.000  100.000
LGA    E    40_B      E    40_B     0.283     0    0.034   0.583     2.104  100.000   87.989
LGA    T    41_B      T    41_B     0.491     0    0.054   1.094     2.387   95.238   87.211
LGA    G    42_B      G    42_B     1.174     0    0.071   0.071     2.058   77.381   77.381
LGA    G    43_B      G    43_B     1.696     0    0.099   0.099     1.846   75.000   75.000
LGA    N    44_B      N    44_B     2.349     3    0.262   0.254     3.494   59.167   36.726
LGA    S    45_B      S    45_B     2.133     0    0.128   0.702     3.200   72.976   67.778
LGA    P    46_B      P    46_B     2.360     0    0.071   0.100     3.488   69.048   60.884
LGA    V    47_B      V    47_B     0.627     0    0.044   0.168     2.001   90.595   85.578
LGA    Q    48_B      Q    48_B     0.358     0    0.017   1.081     2.870  100.000   91.164
LGA    E    49_B      E    49_B     0.552     0    0.046   0.645     2.386   92.857   81.005
LGA    F    50_B      F    50_B     0.400     0    0.039   0.137     1.340   97.619   90.649
LGA    T    51_B      T    51_B     0.482     0    0.025   0.109     0.609   95.238   95.918
LGA    V    52_B      V    52_B     0.780     0    0.059   1.320     3.573   90.476   80.068
LGA    P    53_B      P    53_B     0.650     0    0.065   0.116     0.930   90.476   90.476
LGA    G    54_B      G    54_B     0.492     0    0.059   0.059     0.510   97.619   97.619
LGA    S    55_B      S    55_B     0.329     0    0.073   0.066     0.676   97.619   96.825
LGA    K    56_B      K    56_B     0.520     0    0.023   1.162     5.538   92.857   77.884
LGA    S    57_B      S    57_B     0.613     0    0.055   0.074     0.710   92.857   92.063
LGA    T    58_B      T    58_B     0.508     0    0.048   0.066     0.831   95.238   93.197
LGA    A    59_B      A    59_B     0.261     0    0.048   0.055     0.391  100.000  100.000
LGA    T    60_B      T    60_B     0.231     0    0.033   0.890     2.061  100.000   91.088
LGA    I    61_B      I    61_B     0.153     0    0.086   0.100     0.675  100.000   97.619
LGA    S    62_B      S    62_B     0.493     0    0.050   0.676     1.527  100.000   93.889
LGA    G    63_B      G    63_B     0.194     0    0.095   0.095     0.418  100.000  100.000
LGA    L    64_B      L    64_B     0.194     0    0.031   0.091     0.650  100.000   98.810
LGA    K    65_B      K    65_B     0.474     2    0.047   0.113     0.894   95.238   73.545
LGA    P    66_B      P    66_B     0.606     0    0.064   0.150     1.051   92.857   90.544
LGA    G    67_B      G    67_B     0.341     0    0.049   0.049     0.436  100.000  100.000
LGA    V    68_B      V    68_B     0.293     0    0.035   0.098     0.637  100.000   98.639
LGA    D    69_B      D    69_B     0.355     0    0.054   0.169     0.498  100.000  100.000
LGA    Y    70_B      Y    70_B     0.311     0    0.026   0.093     1.082  100.000   93.690
LGA    T    71_B      T    71_B     0.278     0    0.019   0.101     0.373  100.000  100.000
LGA    I    72_B      I    72_B     0.446     0    0.010   0.682     2.718  100.000   93.452
LGA    T    73_B      T    73_B     0.327     0    0.068   1.121     2.250  100.000   88.571
LGA    V    74_B      V    74_B     0.338     0    0.044   0.090     0.451  100.000  100.000
LGA    Y    75_B      Y    75_B     0.672     0    0.040   1.238     4.043   92.857   75.000
LGA    A    76_B      A    76_B     0.624     0    0.037   0.052     0.712   90.476   90.476
LGA    E    77_B      E    77_B     0.931     0    0.105   0.846     3.765   90.476   77.513
LGA    H    78_B      H    78_B     0.753     0    0.194   0.333     1.073   88.214   89.571
LGA    P    79_B      P    79_B     1.382     0    0.551   0.650     4.655   64.762   68.231
LGA    Y    80_B      Y    80_B     2.346     0    0.034   1.367     6.551   44.286   44.722
LGA    Y    81_B      Y    81_B     9.582     0    0.561   1.091    20.336    3.452    1.151
LGA    D    82_B      D    82_B    13.301     0    0.173   0.904    15.730    0.000    0.000
LGA    P    83_B      P    83_B    16.594     0    0.196   0.192    19.445    0.000    0.000
LGA    S    84_B      S    84_B    18.603     0    0.627   0.869    22.273    0.000    0.000
LGA    S    85_B      S    85_B    14.290     0    0.655   0.579    15.820    0.000    0.000
LGA    S    86_B      S    86_B    14.149     0    0.253   0.700    15.493    0.000    0.000
LGA    Y    87_B      Y    87_B    12.700     0    0.196   1.006    21.348    0.000    0.000
LGA    Y    88_B      Y    88_B     8.545     0    0.169   1.204     9.898    4.405   11.667
LGA    F    89_B      F    89_B     5.359     0    0.067   1.310    14.177   34.167   13.810
LGA    S    90_B      S    90_B     1.221     0    0.380   0.444     2.700   83.810   76.190
LGA    S    91_B      S    91_B     0.347     0    0.063   0.479     1.523   97.619   93.889
LGA    K    92_B      K    92_B     0.219     0    0.028   0.220     0.930  100.000   95.767
LGA    P    93_B      P    93_B     0.155     0    0.030   0.167     0.587  100.000   97.279
LGA    I    94_B      I    94_B     0.282     0    0.016   0.504     1.805  100.000   95.417
LGA    S    95_B      S    95_B     0.457     0    0.022   0.081     0.645  100.000   96.825
LGA    I    96_B      I    96_B     0.376     0    0.025   0.103     0.594  100.000   97.619
LGA    N    97_B      N    97_B     0.224     0    0.017   0.108     0.601  100.000   98.810
LGA    Y    98_B      Y    98_B     0.319     0    0.049   0.102     0.691  100.000   94.444
LGA    R    99_B      R    99_B     0.401     3    0.037   0.527     1.883  100.000   70.260
LGA    T   100_B      T   100_B     0.507     0    0.057   0.162     1.013   97.619   94.626
LGA    P   101_B      P   101_B     0.602     0    0.059   0.426     1.187   92.857   90.544
LGA    H   102_B      H   102_B     0.768     0    0.399   1.202     9.312   79.643   42.619
LGA    H   103_B      H   103_B     6.577     0    0.085   1.131     9.071   16.905    8.524
LGA    H   104_B      H   104_B    11.635     5    0.553   0.585    13.171    0.119    0.048
LGA    H   105_B      H   105_B    12.026     0    0.591   1.612    14.502    0.000    0.000
LGA    H   106_B      H   106_B    12.936     0    0.056   0.759    15.501    0.000    0.000
LGA    H   107_B      H   107_B    13.486     0    0.401   0.985    16.701    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      106     424    424  100.00     830    830  100.00               106
SUMMARY(RMSD_GDC):     4.246          4.209                  5.006           79.864   74.573

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  106    4.0     92    1.02    83.726    78.750     8.198

LGA_LOCAL      RMSD:   1.022  Number of atoms:   92  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.685  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   4.246  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.326602 * X  +  -0.388815 * Y  +   0.861484 * Z  + -88.072952
  Y_new =   0.326700 * X  +   0.808845 * Y  +   0.488914 * Z  +  37.655327
  Z_new =  -0.886904 * X  +   0.441127 * Y  +  -0.137144 * Z  + 112.039795 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.356044  1.090599  1.872218   [DEG:  134.9914   62.4867  107.2702 ]
ZXZ:  2.086995  1.708374 -1.109248   [DEG:  119.5760   97.8826  -63.5552 ]
 
# END of job
