
#######################################################
#                                                     #
#                        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  111 (  795),  selected  105 , name one
# Molecule2: number of CA atoms  105 (  764),  selected  105 , 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:   105       7_B - 111_B       2.09     2.09
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104       8_B - 111_B       1.99     2.09
  LCS_AVERAGE:     98.86

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62      11_B - 72_B        0.95     2.17
  LCS_AVERAGE:     46.75

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  105
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     7_B     E     7_B      8   83  105      6    7   16   28   41   68   86   98  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     P     8_B     P     8_B     15  104  105      6   10   28   47   72   93   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     K     9_B     K     9_B     15  104  105      6   20   53   83   91   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    10_B     V    10_B     43  104  105      6   17   48   83   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     Y    11_B     Y    11_B     62  104  105     15   63   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    12_B     A    12_B     62  104  105     16   65   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     P    13_B     P    13_B     62  104  105      7   66   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    14_B     V    14_B     62  104  105     33   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     T    15_B     T    15_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     T    16_B     T    16_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    17_B     G    17_B     62  104  105     15   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    18_B     A    18_B     62  104  105     27   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     D    19_B     D    19_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    20_B     G    20_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     K    21_B     K    21_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     L    22_B     L    22_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     S    23_B     S    23_B     62  104  105      3   10   76   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     L    24_B     L    24_B     62  104  105      4   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     S    25_B     S    25_B     62  104  105      4   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    26_B     V    26_B     62  104  105     29   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    27_B     G    27_B     62  104  105      4   10   42   85   93   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    28_B     G    28_B     62  104  105      4   39   80   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     Y    29_B     Y    29_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     K    30_B     K    30_B     62  104  105     32   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     K    31_B     K    31_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     T    32_B     T    32_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     F    33_B     F    33_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     T    34_B     T    34_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     K    35_B     K    35_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    36_B     V    36_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     D    37_B     D    37_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    38_B     A    38_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    39_B     A    39_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     T    40_B     T    40_B     62  104  105     34   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     K    41_B     K    41_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    42_B     A    42_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     P    43_B     P    43_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     L    44_B     L    44_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    45_B     A    45_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    46_B     G    46_B     62  104  105     28   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    47_B     A    47_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    48_B     V    48_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     F    49_B     F    49_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     Q    50_B     Q    50_B     62  104  105     29   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    51_B     V    51_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    52_B     V    52_B     62  104  105     25   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     E    53_B     E    53_B     62  104  105     14   64   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     K    54_B     K    54_B     62  104  105      7   61   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     D    55_B     D    55_B     62  104  105      7   61   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    56_B     G    56_B     62  104  105     11   61   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     D    57_B     D    57_B     62  104  105     14   64   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     I    58_B     I    58_B     62  104  105     24   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     T    59_B     T    59_B     62  104  105     29   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     L    60_B     L    60_B     62  104  105     30   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     Y    61_B     Y    61_B     62  104  105     34   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     E    62_B     E    62_B     62  104  105     34   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     L    63_B     L    63_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     S    64_B     S    64_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     S    65_B     S    65_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     P    66_B     P    66_B     62  104  105     29   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    67_B     A    67_B     62  104  105     29   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    68_B     G    68_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     Y    69_B     Y    69_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    70_B     V    70_B     62  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     P    71_B     P    71_B     62  104  105     19   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    72_B     V    72_B     62  104  105      6   65   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     T    73_B     T    73_B     61  104  105      3    3   16   32   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     N    74_B     N    74_B     61  104  105     16   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     K    75_B     K    75_B     59  104  105      3    4   28   80   93   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     P    76_B     P    76_B     59  104  105     19   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     I    77_B     I    77_B     59  104  105     29   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     Y    78_B     Y    78_B     59  104  105     30   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     N    79_B     N    79_B     59  104  105     26   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     I    80_B     I    80_B     59  104  105     14   64   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     S    81_B     S    81_B     59  104  105     14   61   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     T    82_B     T    82_B     59  104  105     20   65   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    83_B     G    83_B     59  104  105     21   63   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     E    84_B     E    84_B     59  104  105     28   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    85_B     A    85_B     59  104  105     26   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     F    86_B     F    86_B     59  104  105     20   60   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     D    87_B     D    87_B     12  104  105      4   15   35   72   90   96   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     S    88_B     S    88_B     11  104  105      4    8   24   60   83   95   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    89_B     A    89_B      3  104  105      3    3    4   25   39   55   83   90  100  101  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     A    90_B     A    90_B      3  104  105      3    3    4    4    5   13   18   24   46   61   81   91   99  103  104  105  105  105  105  105 
LCS_GDT     A    91_B     A    91_B      3  104  105      3    3    4    5   16   35   51   76   91   98  101  102  104  104  104  105  105  105  105  105 
LCS_GDT     S    92_B     S    92_B     19  104  105     21   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    93_B     V    93_B     19  104  105     23   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     V    94_B     V    94_B     19  104  105     23   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     K    95_B     K    95_B     19  104  105     24   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     E    96_B     E    96_B     19  104  105     24   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     D    97_B     D    97_B     19  104  105     21   55   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     G    98_B     G    98_B     19  104  105     29   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     Q    99_B     Q    99_B     19  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     Y   100_B     Y   100_B     19  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     Y   101_B     Y   101_B     19  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     I   102_B     I   102_B     19  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     T   103_B     T   103_B     19  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     N   104_B     N   104_B     19  104  105     21   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     T   105_B     T   105_B     19  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     A   106_B     A   106_B     19  104  105     38   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     A   107_B     A   107_B     19  104  105     21   67   82   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     L   108_B     L   108_B     19  104  105      9   28   74   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     A   109_B     A   109_B     19  104  105      4    9   71   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     A   110_B     A   110_B     19  104  105      4   57   81   89   94   97   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_GDT     A   111_B     A   111_B      6  104  105      3   13   24   29   87   96   99  101  102  102  103  103  104  104  104  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  81.87  (  46.75   98.86  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     38     67     82     89     94     97     99    101    102    102    103    103    104    104    104    105    105    105    105    105 
GDT PERCENT_AT  36.19  63.81  78.10  84.76  89.52  92.38  94.29  96.19  97.14  97.14  98.10  98.10  99.05  99.05  99.05 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.58   0.78   0.92   1.10   1.22   1.32   1.47   1.61   1.61   1.71   1.71   1.85   1.85   1.85   2.09   2.09   2.09   2.09   2.09
GDT RMS_ALL_AT   2.31   2.25   2.17   2.19   2.16   2.14   2.13   2.11   2.11   2.11   2.10   2.10   2.09   2.09   2.09   2.09   2.09   2.09   2.09   2.09

# Checking swapping
#   possible swapping detected:  F    33_B      F    33_B
#   possible swapping detected:  F    49_B      F    49_B
#   possible swapping detected:  E    62_B      E    62_B
#   possible swapping detected:  Y    69_B      Y    69_B
#   possible swapping detected:  Y    78_B      Y    78_B
#   possible swapping detected:  E    84_B      E    84_B
#   possible swapping detected:  Y   100_B      Y   100_B
#   possible swapping detected:  Y   101_B      Y   101_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     6.950     0    0.052   1.330    11.865   17.738    9.312
LGA    P     8_B      P     8_B     4.784     0    0.067   0.091     6.567   31.786   26.259
LGA    K     9_B      K     9_B     3.270     0    0.023   0.863     3.602   53.810   54.127
LGA    V    10_B      V    10_B     2.941     0    0.015   0.066     4.834   57.262   49.592
LGA    Y    11_B      Y    11_B     0.939     0    0.061   0.234     1.490   88.214   86.706
LGA    A    12_B      A    12_B     0.818     0    0.020   0.023     0.882   90.476   90.476
LGA    P    13_B      P    13_B     0.916     0    0.053   0.357     1.126   92.857   89.252
LGA    V    14_B      V    14_B     0.321     0    0.087   1.040     2.888   97.619   87.279
LGA    T    15_B      T    15_B     0.476     0    0.048   0.083     0.883   95.238   93.197
LGA    T    16_B      T    16_B     0.431     0    0.025   0.137     0.858   95.238   97.279
LGA    G    17_B      G    17_B     1.024     0    0.059   0.059     1.024   88.214   88.214
LGA    A    18_B      A    18_B     0.582     0    0.027   0.025     0.783   92.857   92.381
LGA    D    19_B      D    19_B     0.677     0    0.108   0.176     1.832   95.238   87.262
LGA    G    20_B      G    20_B     0.446     0    0.025   0.025     0.575   97.619   97.619
LGA    K    21_B      K    21_B     0.648     0    0.052   0.885     2.777   90.476   84.127
LGA    L    22_B      L    22_B     0.706     0    0.079   1.023     4.565   88.214   76.488
LGA    S    23_B      S    23_B     2.052     0    0.266   0.270     4.304   70.833   60.635
LGA    L    24_B      L    24_B     1.101     0    0.046   0.086     1.676   83.690   80.417
LGA    S    25_B      S    25_B     0.937     0    0.261   0.721     3.768   88.214   79.603
LGA    V    26_B      V    26_B     0.538     0    0.093   0.115     1.759   85.952   82.789
LGA    G    27_B      G    27_B     2.858     0    0.632   0.632     5.338   51.548   51.548
LGA    G    28_B      G    28_B     1.791     0    0.069   0.069     1.791   77.143   77.143
LGA    Y    29_B      Y    29_B     0.635     0    0.502   0.826     2.940   79.881   84.008
LGA    K    30_B      K    30_B     0.847     0    0.022   0.297     4.671   92.857   73.810
LGA    K    31_B      K    31_B     0.448     0    0.090   0.415     1.195   95.238   91.587
LGA    T    32_B      T    32_B     0.554     0    0.052   1.074     3.043   95.238   82.653
LGA    F    33_B      F    33_B     0.454     0    0.029   0.185     1.694  100.000   89.091
LGA    T    34_B      T    34_B     0.371     0    0.024   0.062     0.685  100.000   98.639
LGA    K    35_B      K    35_B     0.096     0    0.042   0.469     1.181  100.000   94.815
LGA    V    36_B      V    36_B     0.465     0    0.044   0.047     0.592   95.238   93.197
LGA    D    37_B      D    37_B     0.713     0    0.019   0.460     1.630   90.476   88.274
LGA    A    38_B      A    38_B     0.800     0    0.020   0.025     0.949   90.476   90.476
LGA    A    39_B      A    39_B     1.093     0    0.104   0.102     1.363   83.690   83.238
LGA    T    40_B      T    40_B     1.090     0    0.009   0.080     1.095   85.952   84.014
LGA    K    41_B      K    41_B     0.674     0    0.110   1.355     7.105   90.476   70.476
LGA    A    42_B      A    42_B     0.745     0    0.013   0.024     1.004   90.476   88.667
LGA    P    43_B      P    43_B     0.478     0    0.013   0.349     1.450   97.619   93.265
LGA    L    44_B      L    44_B     0.223     0    0.123   0.154     0.541  100.000   97.619
LGA    A    45_B      A    45_B     0.559     0    0.031   0.041     0.640   92.857   92.381
LGA    G    46_B      G    46_B     0.899     0    0.034   0.034     0.899   90.476   90.476
LGA    A    47_B      A    47_B     0.571     0    0.072   0.086     0.850   90.476   92.381
LGA    V    48_B      V    48_B     0.653     0    0.025   0.057     0.979   90.476   90.476
LGA    F    49_B      F    49_B     0.534     0    0.039   0.080     0.973   92.857   91.342
LGA    Q    50_B      Q    50_B     0.390     0    0.019   0.455     1.327   97.619   91.693
LGA    V    51_B      V    51_B     0.555     0    0.016   1.206     2.813   97.619   87.279
LGA    V    52_B      V    52_B     0.567     0    0.148   1.085     3.259   92.857   83.469
LGA    E    53_B      E    53_B     1.745     0    0.068   0.904     3.474   75.000   66.878
LGA    K    54_B      K    54_B     2.176     0    0.062   0.734     5.431   62.857   52.857
LGA    D    55_B      D    55_B     2.255     0    0.090   0.122     2.357   64.762   64.762
LGA    G    56_B      G    56_B     2.282     0    0.300   0.300     3.094   61.071   61.071
LGA    D    57_B      D    57_B     1.799     0    0.128   0.753     2.364   72.857   70.833
LGA    I    58_B      I    58_B     1.200     0    0.035   0.637     3.297   79.286   76.429
LGA    T    59_B      T    59_B     0.827     0    0.035   0.144     1.081   90.476   89.184
LGA    L    60_B      L    60_B     0.627     0    0.025   0.136     0.853   95.238   92.857
LGA    Y    61_B      Y    61_B     0.451     0    0.065   0.212     1.209   97.619   91.389
LGA    E    62_B      E    62_B     0.489     0    0.052   0.243     1.252   97.619   92.646
LGA    L    63_B      L    63_B     0.465     0    0.021   1.129     2.528   95.238   84.345
LGA    S    64_B      S    64_B     0.740     0    0.037   0.052     0.914   90.476   90.476
LGA    S    65_B      S    65_B     0.839     0    0.012   0.728     2.171   90.476   86.190
LGA    P    66_B      P    66_B     0.957     0    0.037   0.053     1.048   90.476   86.599
LGA    A    67_B      A    67_B     0.887     0    0.032   0.035     1.002   88.214   88.667
LGA    G    68_B      G    68_B     0.435     0    0.027   0.027     0.544   95.238   95.238
LGA    Y    69_B      Y    69_B     0.732     0    0.056   0.118     0.914   90.476   90.476
LGA    V    70_B      V    70_B     0.709     0    0.026   0.034     0.798   90.476   90.476
LGA    P    71_B      P    71_B     1.078     0    0.076   0.083     1.550   88.214   84.082
LGA    V    72_B      V    72_B     1.043     0    0.050   1.193     3.648   75.119   71.156
LGA    T    73_B      T    73_B     2.883     0    0.134   0.186     5.968   62.976   47.279
LGA    N    74_B      N    74_B     0.595     0    0.029   0.870     1.984   79.405   79.405
LGA    K    75_B      K    75_B     2.613     0    0.148   0.969     7.127   71.071   44.021
LGA    P    76_B      P    76_B     1.220     0    0.037   0.073     2.599   81.548   74.422
LGA    I    77_B      I    77_B     0.473     0    0.183   1.531     3.397   97.619   82.560
LGA    Y    78_B      Y    78_B     0.381     0    0.030   0.200     1.418   97.619   92.183
LGA    N    79_B      N    79_B     0.871     0    0.034   0.147     1.640   85.952   82.679
LGA    I    80_B      I    80_B     1.461     0    0.023   0.608     2.310   77.143   77.202
LGA    S    81_B      S    81_B     1.970     0    0.038   0.515     2.252   72.857   71.508
LGA    T    82_B      T    82_B     1.153     0    0.066   0.068     1.402   81.429   84.014
LGA    G    83_B      G    83_B     1.299     0    0.170   0.170     1.932   79.286   79.286
LGA    E    84_B      E    84_B     0.865     0    0.038   0.800     2.593   88.214   78.942
LGA    A    85_B      A    85_B     0.906     0    0.012   0.020     1.012   88.214   88.667
LGA    F    86_B      F    86_B     1.380     0    0.000   0.055     2.244   73.095   82.554
LGA    D    87_B      D    87_B     3.497     0    0.609   1.107     5.220   46.905   41.429
LGA    S    88_B      S    88_B     4.017     0    0.654   0.687     5.904   45.238   38.968
LGA    A    89_B      A    89_B     6.301     0    0.168   0.179     8.425   13.810   12.000
LGA    A    90_B      A    90_B    10.459     0    0.021   0.039    12.753    1.071    0.857
LGA    A    91_B      A    91_B     7.320     0    0.654   0.590     8.814   15.119   12.667
LGA    S    92_B      S    92_B     1.663     0    0.672   0.607     3.097   71.429   70.556
LGA    V    93_B      V    93_B     1.407     0    0.004   0.079     2.139   75.000   72.925
LGA    V    94_B      V    94_B     1.495     0    0.050   1.084     3.677   81.429   73.537
LGA    K    95_B      K    95_B     1.335     0    0.040   0.150     1.707   79.286   82.487
LGA    E    96_B      E    96_B     1.438     0    0.440   0.883     5.408   75.357   57.566
LGA    D    97_B      D    97_B     1.736     0    0.199   0.158     2.467   72.976   69.881
LGA    G    98_B      G    98_B     0.995     0    0.038   0.038     1.259   90.595   90.595
LGA    Q    99_B      Q    99_B     0.525     0    0.037   0.439     2.850   92.857   82.857
LGA    Y   100_B      Y   100_B     0.457     0    0.058   0.080     1.280  100.000   90.635
LGA    Y   101_B      Y   101_B     0.362     0    0.024   0.040     1.332   95.238   90.556
LGA    I   102_B      I   102_B     0.688     0    0.054   0.089     1.185   90.476   89.345
LGA    T   103_B      T   103_B     0.709     0    0.018   0.062     0.982   90.476   90.476
LGA    N   104_B      N   104_B     1.121     1    0.045   0.755     2.545   81.429   65.060
LGA    T   105_B      T   105_B     0.991     0    0.020   0.078     1.205   88.214   85.306
LGA    A   106_B      A   106_B     0.886     0    0.010   0.020     1.368   85.952   86.857
LGA    A   107_B      A   107_B     1.248     0    0.027   0.045     1.330   81.429   81.429
LGA    L   108_B      L   108_B     2.354     0    0.141   0.343     6.180   77.381   53.452
LGA    A   109_B      A   109_B     1.994     0    0.126   0.167     3.131   75.000   70.000
LGA    A   110_B      A   110_B     1.427     0    0.638   0.588     3.637   65.595   67.048
LGA    A   111_B      A   111_B     4.467     0    0.067   0.092     7.158   52.500   44.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      105     420    420  100.00     764    764  100.00               105
SUMMARY(RMSD_GDC):     2.089          2.026                  2.346           81.290   76.922

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  111  105    4.0    101    1.47    86.190    91.991     6.431

LGA_LOCAL      RMSD:   1.471  Number of atoms:  101  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.114  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   2.089  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.372403 * X  +  -0.822395 * Y  +   0.430096 * Z  +  17.442558
  Y_new =   0.878528 * X  +   0.162992 * Y  +  -0.449023 * Z  + -53.334843
  Z_new =   0.299172 * X  +   0.545069 * Y  +   0.783196 * Z  + -13.162892 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.169862 -0.303825  0.608006   [DEG:   67.0282  -17.4079   34.8362 ]
ZXZ:  0.763872  0.671007  0.501975   [DEG:   43.7666   38.4459   28.7610 ]
 
# END of job
