
#######################################################
#                                                     #
#                        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       2.01     2.01
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104       7_B - 110_B       1.96     2.01
  LONGEST_CONTINUOUS_SEGMENT:   104       8_B - 111_B       1.92     2.01
  LCS_AVERAGE:     99.05

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77      10_B - 86_B        1.00     2.08
  LCS_AVERAGE:     58.76

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  104  105      6    6   13   30   44   78   94   99  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     P     8_B     P     8_B     15  104  105      6    7   30   58   85   95  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     K     9_B     K     9_B     15  104  105      8   22   61   89   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     V    10_B     V    10_B     77  104  105      6   21   57   89   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     Y    11_B     Y    11_B     77  104  105      6   68   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     A    12_B     A    12_B     77  104  105      6   68   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     P    13_B     P    13_B     77  104  105      6   68   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     V    14_B     V    14_B     77  104  105     40   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     T    15_B     T    15_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     T    16_B     T    16_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     G    17_B     G    17_B     77  104  105     39   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     A    18_B     A    18_B     77  104  105     40   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     D    19_B     D    19_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     G    20_B     G    20_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    21_B     K    21_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     L    22_B     L    22_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     S    23_B     S    23_B     77  104  105      3   29   65   90   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     L    24_B     L    24_B     77  104  105      7   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     S    25_B     S    25_B     77  104  105      7   69   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     V    26_B     V    26_B     77  104  105     36   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     G    27_B     G    27_B     77  104  105      4   11   38   89   94   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     G    28_B     G    28_B     77  104  105      4   53   84   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     Y    29_B     Y    29_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    30_B     K    30_B     77  104  105     31   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    31_B     K    31_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     T    32_B     T    32_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     F    33_B     F    33_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     T    34_B     T    34_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    35_B     K    35_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     V    36_B     V    36_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     D    37_B     D    37_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     A    38_B     A    38_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     A    39_B     A    39_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     T    40_B     T    40_B     77  104  105     40   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    41_B     K    41_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     A    42_B     A    42_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     P    43_B     P    43_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     L    44_B     L    44_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     A    45_B     A    45_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     G    46_B     G    46_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     A    47_B     A    47_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     V    48_B     V    48_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     F    49_B     F    49_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     Q    50_B     Q    50_B     77  104  105     41   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     V    51_B     V    51_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     V    52_B     V    52_B     77  104  105     39   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     E    53_B     E    53_B     77  104  105     12   68   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    54_B     K    54_B     77  104  105     10   50   83   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     D    55_B     D    55_B     77  104  105     10   50   83   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     G    56_B     G    56_B     77  104  105     10   50   83   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     D    57_B     D    57_B     77  104  105     10   68   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     I    58_B     I    58_B     77  104  105     34   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     T    59_B     T    59_B     77  104  105     40   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     L    60_B     L    60_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     Y    61_B     Y    61_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     E    62_B     E    62_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     L    63_B     L    63_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     S    64_B     S    64_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     S    65_B     S    65_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     P    66_B     P    66_B     77  104  105     36   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     A    67_B     A    67_B     77  104  105     36   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     G    68_B     G    68_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     Y    69_B     Y    69_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     V    70_B     V    70_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     P    71_B     P    71_B     77  104  105      4   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     V    72_B     V    72_B     77  104  105      8   65   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     T    73_B     T    73_B     77  104  105      5   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     N    74_B     N    74_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    75_B     K    75_B     77  104  105     21   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     P    76_B     P    76_B     77  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     I    77_B     I    77_B     77  104  105     43   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     Y    78_B     Y    78_B     77  104  105     40   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     N    79_B     N    79_B     77  104  105     36   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     I    80_B     I    80_B     77  104  105     22   68   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     S    81_B     S    81_B     77  104  105     12   68   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     T    82_B     T    82_B     77  104  105     36   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     G    83_B     G    83_B     77  104  105     29   68   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     E    84_B     E    84_B     77  104  105     31   68   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     A    85_B     A    85_B     77  104  105     31   68   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     F    86_B     F    86_B     77  104  105      8   49   84   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     D    87_B     D    87_B     75  104  105      3    8   30   63   92   96  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     S    88_B     S    88_B     60  104  105      3    8   20   54   85   95  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     A    89_B     A    89_B      3  104  105      3    3    4    4    6   39   77   83   96  101  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     A    90_B     A    90_B      3  104  105      3    3    4    4    5    5    6    9   52   77   86   97  100  104  104  105  105  105  105  105 
LCS_GDT     A    91_B     A    91_B      3  104  105      3    3    4    5   16   37   66   83   97  100  102  104  104  104  104  105  105  105  105  105 
LCS_GDT     S    92_B     S    92_B     19  104  105     27   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     V    93_B     V    93_B     19  104  105     27   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     V    94_B     V    94_B     19  104  105     27   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     K    95_B     K    95_B     19  104  105     34   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     E    96_B     E    96_B     19  104  105     34   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     D    97_B     D    97_B     19  104  105     17   69   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     G    98_B     G    98_B     19  104  105     36   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     Q    99_B     Q    99_B     19  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     Y   100_B     Y   100_B     19  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     Y   101_B     Y   101_B     19  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     I   102_B     I   102_B     19  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     T   103_B     T   103_B     19  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     N   104_B     N   104_B     19  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     T   105_B     T   105_B     19  104  105     42   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     A   106_B     A   106_B     19  104  105     44   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     A   107_B     A   107_B     19  104  105     21   72   85   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     L   108_B     L   108_B     19  104  105      3   24   79   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     A   109_B     A   109_B     19  104  105      3   29   79   89   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     A   110_B     A   110_B     19  104  105      3   48   83   91   96   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_GDT     A   111_B     A   111_B      6  104  105      3    3   17   32   75   98  101  101  102  102  103  104  104  104  104  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  85.93  (  58.76   99.05  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     44     72     85     91     96     98    101    101    102    102    103    104    104    104    104    105    105    105    105    105 
GDT PERCENT_AT  41.90  68.57  80.95  86.67  91.43  93.33  96.19  96.19  97.14  97.14  98.10  99.05  99.05  99.05  99.05 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.54   0.73   0.88   1.07   1.20   1.38   1.38   1.51   1.51   1.64   1.76   1.76   1.76   1.76   2.01   2.01   2.01   2.01   2.01
GDT RMS_ALL_AT   2.16   2.14   2.12   2.11   2.08   2.06   2.03   2.03   2.03   2.03   2.02   2.01   2.01   2.01   2.01   2.01   2.01   2.01   2.01   2.01

# 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     6.621     0    0.055   1.326    11.551   19.881   10.741
LGA    P     8_B      P     8_B     4.461     0    0.076   0.093     6.253   35.952   30.544
LGA    K     9_B      K     9_B     3.052     0    0.031   0.852     3.341   55.476   57.302
LGA    V    10_B      V    10_B     2.857     0    0.013   0.074     4.717   57.262   49.592
LGA    Y    11_B      Y    11_B     1.098     0    0.065   0.240     1.704   79.286   82.302
LGA    A    12_B      A    12_B     1.089     0    0.017   0.021     1.141   81.429   81.429
LGA    P    13_B      P    13_B     1.080     0    0.051   0.362     1.296   85.952   84.014
LGA    V    14_B      V    14_B     0.373     0    0.079   1.041     2.759   97.619   87.279
LGA    T    15_B      T    15_B     0.138     0    0.046   0.073     0.548   97.619   98.639
LGA    T    16_B      T    16_B     0.140     0    0.023   0.071     0.417  100.000  100.000
LGA    G    17_B      G    17_B     0.557     0    0.049   0.049     0.557   97.619   97.619
LGA    A    18_B      A    18_B     0.489     0    0.026   0.025     0.816   95.238   94.286
LGA    D    19_B      D    19_B     0.699     0    0.105   0.188     1.618   95.238   88.393
LGA    G    20_B      G    20_B     0.441     0    0.021   0.021     0.549   97.619   97.619
LGA    K    21_B      K    21_B     0.572     0    0.047   0.971     3.402   90.476   84.180
LGA    L    22_B      L    22_B     0.545     0    0.094   1.041     4.643   88.214   77.619
LGA    S    23_B      S    23_B     2.228     0    0.259   0.262     4.479   70.833   60.635
LGA    L    24_B      L    24_B     1.183     0    0.040   0.080     1.589   81.429   79.286
LGA    S    25_B      S    25_B     1.140     0    0.289   0.737     4.156   88.333   77.222
LGA    V    26_B      V    26_B     0.691     0    0.094   1.057     2.282   83.690   80.408
LGA    G    27_B      G    27_B     2.727     0    0.636   0.636     5.411   51.548   51.548
LGA    G    28_B      G    28_B     1.547     0    0.076   0.076     1.547   79.286   79.286
LGA    Y    29_B      Y    29_B     0.350     0    0.495   0.813     2.732   82.262   85.556
LGA    K    30_B      K    30_B     1.051     0    0.020   0.269     5.089   88.214   68.677
LGA    K    31_B      K    31_B     0.246     0    0.079   0.602     1.256  100.000   91.693
LGA    T    32_B      T    32_B     0.379     0    0.055   1.063     2.784  100.000   86.395
LGA    F    33_B      F    33_B     0.386     0    0.021   0.175     1.544  100.000   89.870
LGA    T    34_B      T    34_B     0.320     0    0.025   0.071     0.651  100.000   97.279
LGA    K    35_B      K    35_B     0.158     0    0.052   0.342     1.957  100.000   93.862
LGA    V    36_B      V    36_B     0.546     0    0.056   0.063     0.612   92.857   91.837
LGA    D    37_B      D    37_B     0.722     0    0.025   0.439     1.537   90.476   88.274
LGA    A    38_B      A    38_B     0.738     0    0.018   0.022     0.882   90.476   90.476
LGA    A    39_B      A    39_B     0.973     0    0.107   0.105     1.201   85.952   86.857
LGA    T    40_B      T    40_B     1.007     0    0.006   0.073     1.031   85.952   85.306
LGA    K    41_B      K    41_B     0.665     0    0.110   1.349     7.105   88.214   69.471
LGA    A    42_B      A    42_B     0.744     0    0.014   0.024     1.028   90.476   88.667
LGA    P    43_B      P    43_B     0.517     0    0.014   0.351     1.615   90.476   87.959
LGA    L    44_B      L    44_B     0.451     0    0.149   0.175     0.805   97.619   94.048
LGA    A    45_B      A    45_B     0.248     0    0.040   0.053     0.303  100.000  100.000
LGA    G    46_B      G    46_B     0.444     0    0.061   0.061     0.444  100.000  100.000
LGA    A    47_B      A    47_B     0.306     0    0.083   0.101     0.627   97.619   98.095
LGA    V    48_B      V    48_B     0.298     0    0.024   0.061     0.569  100.000   98.639
LGA    F    49_B      F    49_B     0.437     0    0.032   0.126     0.881  100.000   94.805
LGA    Q    50_B      Q    50_B     0.442     0    0.032   0.422     1.170   97.619   91.640
LGA    V    51_B      V    51_B     0.638     0    0.016   1.181     2.653   95.238   83.469
LGA    V    52_B      V    52_B     0.502     0    0.142   1.086     3.243   92.857   83.469
LGA    E    53_B      E    53_B     1.809     0    0.068   0.803     3.574   70.952   62.698
LGA    K    54_B      K    54_B     2.283     0    0.048   0.985     6.305   62.857   51.058
LGA    D    55_B      D    55_B     2.416     0    0.095   0.114     2.559   62.857   63.810
LGA    G    56_B      G    56_B     2.408     0    0.292   0.292     3.225   61.071   61.071
LGA    D    57_B      D    57_B     1.772     0    0.126   0.750     2.543   70.833   68.869
LGA    I    58_B      I    58_B     1.191     0    0.048   0.635     3.330   79.286   76.429
LGA    T    59_B      T    59_B     0.791     0    0.067   1.072     2.504   92.857   83.401
LGA    L    60_B      L    60_B     0.643     0    0.014   0.122     0.854   95.238   92.857
LGA    Y    61_B      Y    61_B     0.336     0    0.062   0.178     1.259  100.000   91.429
LGA    E    62_B      E    62_B     0.063     0    0.027   0.260     0.815   97.619   97.884
LGA    L    63_B      L    63_B     0.347     0    0.065   1.138     2.408  100.000   90.000
LGA    S    64_B      S    64_B     0.382     0    0.029   0.596     2.026   97.619   90.952
LGA    S    65_B      S    65_B     0.477     0    0.022   0.711     2.454   95.238   90.952
LGA    P    66_B      P    66_B     0.873     0    0.036   0.048     1.020   90.476   89.184
LGA    A    67_B      A    67_B     0.930     0    0.015   0.019     1.153   88.214   86.857
LGA    G    68_B      G    68_B     0.307     0    0.023   0.023     0.513   97.619   97.619
LGA    Y    69_B      Y    69_B     0.472     0    0.065   0.102     0.741   97.619   92.857
LGA    V    70_B      V    70_B     0.321     0    0.037   0.056     0.549   97.619   97.279
LGA    P    71_B      P    71_B     0.874     0    0.119   0.127     1.291   90.476   87.891
LGA    V    72_B      V    72_B     1.102     0    0.014   0.304     1.581   81.429   80.204
LGA    T    73_B      T    73_B     0.628     0    0.016   0.993     2.868   95.238   85.918
LGA    N    74_B      N    74_B     0.671     0    0.051   0.846     2.314   90.595   82.857
LGA    K    75_B      K    75_B     1.273     0    0.082   1.018     7.344   85.952   59.048
LGA    P    76_B      P    76_B     0.874     0    0.034   0.095     1.343   88.214   85.306
LGA    I    77_B      I    77_B     0.334     0    0.158   1.528     3.456   95.238   81.607
LGA    Y    78_B      Y    78_B     0.423     0    0.051   0.173     1.085   95.238   92.143
LGA    N    79_B      N    79_B     0.781     0    0.039   0.173     1.550   88.214   84.881
LGA    I    80_B      I    80_B     1.278     0    0.026   0.603     2.286   77.143   77.202
LGA    S    81_B      S    81_B     1.721     0    0.041   0.528     2.041   77.143   74.365
LGA    T    82_B      T    82_B     0.798     0    0.066   0.069     1.085   88.214   90.544
LGA    G    83_B      G    83_B     1.154     0    0.153   0.153     1.806   81.548   81.548
LGA    E    84_B      E    84_B     1.046     0    0.033   0.791     2.930   85.952   75.238
LGA    A    85_B      A    85_B     0.917     0    0.010   0.019     1.244   85.952   86.857
LGA    F    86_B      F    86_B     1.783     0    0.072   0.185     2.749   69.048   81.082
LGA    D    87_B      D    87_B     3.667     0    0.626   1.125     6.322   48.452   36.964
LGA    S    88_B      S    88_B     3.941     0    0.656   0.640     6.105   43.452   37.063
LGA    A    89_B      A    89_B     6.773     0    0.147   0.159     8.832   11.190    9.524
LGA    A    90_B      A    90_B    10.282     0    0.037   0.054    12.409    1.548    1.238
LGA    A    91_B      A    91_B     6.809     0    0.665   0.600     8.198   19.048   16.190
LGA    S    92_B      S    92_B     1.385     0    0.686   0.621     2.758   75.357   71.825
LGA    V    93_B      V    93_B     1.149     0    0.004   0.077     1.830   79.286   77.755
LGA    V    94_B      V    94_B     1.201     0    0.046   1.093     3.388   83.690   77.007
LGA    K    95_B      K    95_B     1.113     0    0.036   0.167     1.427   81.429   83.439
LGA    E    96_B      E    96_B     1.154     0    0.443   0.902     5.057   77.619   59.259
LGA    D    97_B      D    97_B     1.530     0    0.194   0.152     2.187   77.143   73.988
LGA    G    98_B      G    98_B     0.895     0    0.036   0.036     1.107   92.976   92.976
LGA    Q    99_B      Q    99_B     0.484     0    0.059   1.045     2.956   95.238   82.222
LGA    Y   100_B      Y   100_B     0.466     0    0.042   0.064     1.425  100.000   90.635
LGA    Y   101_B      Y   101_B     0.385     0    0.024   0.047     1.067   95.238   91.310
LGA    I   102_B      I   102_B     0.652     0    0.032   0.125     1.123   92.857   90.536
LGA    T   103_B      T   103_B     0.705     0    0.018   0.061     0.944   90.476   90.476
LGA    N   104_B      N   104_B     0.936     1    0.013   0.444     1.945   88.214   74.702
LGA    T   105_B      T   105_B     1.096     0    0.019   0.096     1.461   85.952   84.014
LGA    A   106_B      A   106_B     0.857     0    0.010   0.020     1.347   85.952   86.857
LGA    A   107_B      A   107_B     1.055     0    0.029   0.036     1.365   81.429   81.429
LGA    L   108_B      L   108_B     2.224     0    0.135   1.002     6.349   77.381   55.774
LGA    A   109_B      A   109_B     2.166     0    0.128   0.171     3.203   70.952   66.762
LGA    A   110_B      A   110_B     1.648     0    0.644   0.593     3.859   61.548   63.810
LGA    A   111_B      A   111_B     4.476     0    0.047   0.064     7.063   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):     2.007          1.953                  2.270           82.846   78.361

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  111  105    4.0    101    1.38    87.857    93.087     6.825

LGA_LOCAL      RMSD:   1.380  Number of atoms:  101  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.033  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   2.007  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.104571 * X  +  -0.950865 * Y  +   0.291413 * Z  +  17.605633
  Y_new =   0.883679 * X  +  -0.223269 * Y  +  -0.411415 * Z  + -53.473362
  Z_new =   0.456263 * X  +   0.214493 * Y  +   0.863607 * Z  + -12.792727 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.688584 -0.473791  0.243443   [DEG:   96.7487  -27.1462   13.9483 ]
ZXZ:  0.616287  0.528416  1.131346   [DEG:   35.3106   30.2760   64.8214 ]
 
# END of job
