
#######################################################
#                                                     #
#                        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  121 (  938),  selected  103 , name one
# Molecule2: number of CA atoms  103 (  817),  selected  103 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.88     1.88
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.88     1.88
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    60      29_A - 88_A        1.00     1.93
  LCS_AVERAGE:     39.83

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  103
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    13_A     G    13_A      7  103  103     17   43   62   86   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A      7  103  103     21   52   80   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A      7  103  103     21   52   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A      7  103  103     21   52   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A      7  103  103     21   53   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A      7  103  103      8   28   52   80   90   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A      7  103  103      4    4    6   21   25   38   65   87  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A      4  103  103      4    4    4    7   23   79   92   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A     14  103  103      4    5    6   17   28   44   71   92   93   97  100  101  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     33  103  103      6   19   44   70   87   91   94   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     35  103  103     13   38   66   87   90   94   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     35  103  103     14   38   68   87   90   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     48  103  103     25   50   80   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     48  103  103     25   55   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     48  103  103     20   55   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     48  103  103     24   56   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     60  103  103     27   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     60  103  103     27   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     60  103  103     22   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     60  103  103     28   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     60  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     60  103  103     13   45   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     60  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     60  103  103      4   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     60  103  103     22   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     60  103  103     25   59   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     60  103  103     25   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     60  103  103     25   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     60  103  103     25   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     60  103  103     25   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     60  103  103     25   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     60  103  103     29   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     60  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     60  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     60  103  103     25   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     60  103  103     25   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     60  103  103     24   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     60  103  103     23   60   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     60  103  103     23   56   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     60  103  103     23   60   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     60  103  103     27   60   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     60  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     60  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     60  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     60  103  103      7   19   52   85   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     60  103  103      4   12   48   74   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     60  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     60  103  103     17   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     60  103  103     17   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     60  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     60  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     60  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     60  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     60  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     60  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     60  103  103     25   59   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     60  103  103     22   52   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     60  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     60  103  103     30   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     60  103  103     25   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     60  103  103     25   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     60  103  103     25   57   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     60  103  103     18   44   74   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     60  103  103     12   59   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     60  103  103     25   53   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A     60  103  103     25   53   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A     60  103  103     25   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A     60  103  103     25   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     60  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     60  103  103     26   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     60  103  103     24   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     60  103  103     25   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     60  103  103     26   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     60  103  103     30   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     60  103  103     25   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     60  103  103      4   49   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A      6  103  103      4    5    7    7   52   85   96   98   99  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A      6  103  103      4   13   24   54   71   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A      6  103  103      4    8   22   48   74   94   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     11  103  103     15   48   80   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     11  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     11  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     11  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     11  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     11  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     11  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     11  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     11  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     11  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     11  103  103      3   45   74   86   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     11  103  103      3   19   59   82   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     11  103  103      3   21   66   84   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A      3  103  103      3    3   11   21   37   77   96   97   99  100  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     10  103  103      6   37   68   85   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     10  103  103      5   59   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     10  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     10  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     10  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     10  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     10  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     10  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     10  103  103     32   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     10  103  103     10   61   81   87   91   95   96   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  79.94  (  39.83  100.00  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     32     61     81     87     91     95     96     98    100    101    102    102    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  31.07  59.22  78.64  84.47  88.35  92.23  93.20  95.15  97.09  98.06  99.03  99.03 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.63   0.89   1.01   1.14   1.29   1.32   1.47   1.61   1.68   1.76   1.76   1.88   1.88   1.88   1.88   1.88   1.88   1.88   1.88
GDT RMS_ALL_AT   1.98   2.00   1.93   1.94   1.90   1.89   1.89   1.89   1.88   1.88   1.89   1.89   1.88   1.88   1.88   1.88   1.88   1.88   1.88   1.88

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  E    27_A      E    27_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  F    42_A      F    42_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  Y    62_A      Y    62_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    70_A      E    70_A
#   possible swapping detected:  E    77_A      E    77_A
#   possible swapping detected:  Y    79_A      Y    79_A
#   possible swapping detected:  E   101_A      E   101_A
#   possible swapping detected:  F   112_A      F   112_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    13_A      G    13_A     2.043     0    0.665   0.665     2.995   69.048   69.048
LGA    W    14_A      W    14_A     1.275     0    0.085   0.126     1.800   77.143   79.660
LGA    Q    15_A      Q    15_A     1.149     0    0.076   1.021     3.474   85.952   77.090
LGA    K    16_A      K    16_A     1.080     0    0.069   1.066     2.500   81.429   77.778
LGA    K    17_A      K    17_A     1.040     0    0.088   1.015     3.188   81.429   76.138
LGA    T    18_A      T    18_A     2.443     0    0.073   1.001     5.528   53.095   45.782
LGA    P    19_A      P    19_A     5.162     0    0.669   0.729     6.671   31.548   24.830
LGA    V    20_A      V    20_A     4.732     0    0.106   1.269     8.148   29.524   20.476
LGA    D    21_A      D    21_A     6.739     0    0.305   1.144     8.588   17.976   12.024
LGA    N    22_A      N    22_A     4.474     0    0.057   0.199     5.432   42.262   36.905
LGA    E    23_A      E    23_A     2.785     0    0.046   0.661     3.804   59.524   56.667
LGA    Q    24_A      Q    24_A     2.668     0    0.024   0.759     4.149   62.976   52.169
LGA    Y    25_A      Y    25_A     1.733     0    0.080   0.265     2.248   70.833   70.159
LGA    K    26_A      K    26_A     1.473     0    0.050   0.715     2.802   79.286   72.275
LGA    E    27_A      E    27_A     1.466     0    0.031   1.144     3.057   79.286   71.693
LGA    L    28_A      L    28_A     1.288     0    0.032   0.874     2.317   83.690   77.321
LGA    A    29_A      A    29_A     0.686     0    0.044   0.048     0.927   90.476   90.476
LGA    H    30_A      H    30_A     0.751     0    0.043   0.110     0.959   90.476   91.429
LGA    F    31_A      F    31_A     1.026     0    0.014   0.146     1.609   85.952   81.515
LGA    A    32_A      A    32_A     0.818     0    0.034   0.034     0.891   90.476   90.476
LGA    V    33_A      V    33_A     0.776     0    0.100   0.305     1.281   85.952   89.252
LGA    S    34_A      S    34_A     1.438     0    0.037   0.058     1.741   79.286   77.143
LGA    K    35_A      K    35_A     0.254     0    0.153   0.878     4.331   95.238   72.487
LGA    Q    36_A      Q    36_A     1.019     0    0.021   1.040     3.615   88.214   76.402
LGA    V    37_A      V    37_A     0.800     0    0.038   0.055     1.128   90.476   89.184
LGA    E    38_A      E    38_A     1.448     0    0.028   0.938     3.352   81.429   71.481
LGA    G    39_A      G    39_A     1.111     0    0.072   0.072     1.278   88.333   88.333
LGA    R    40_A      R    40_A     0.776     0    0.043   0.596     1.647   88.214   84.762
LGA    E    41_A      E    41_A     1.017     0    0.081   0.856     2.181   88.214   80.688
LGA    F    42_A      F    42_A     0.722     0    0.091   0.238     1.447   90.476   87.186
LGA    F    43_A      F    43_A     0.602     0    0.037   0.088     1.646   95.238   86.537
LGA    D    44_A      D    44_A     0.392     0    0.022   0.067     0.688  100.000   95.238
LGA    T    45_A      T    45_A     0.348     0    0.039   0.153     0.852   95.238   95.918
LGA    V    46_A      V    46_A     0.645     0    0.026   1.124     2.535   90.476   83.197
LGA    L    47_A      L    47_A     1.152     0    0.066   1.333     4.277   83.690   77.083
LGA    E    48_A      E    48_A     0.796     0    0.017   0.669     3.044   90.476   77.460
LGA    V    49_A      V    49_A     0.764     0    0.076   0.144     1.100   88.214   87.891
LGA    T    50_A      T    50_A     0.590     0    0.087   1.021     2.528   88.214   82.109
LGA    D    51_A      D    51_A     0.796     0    0.039   0.435     2.016   90.476   85.000
LGA    V    52_A      V    52_A     0.686     0    0.019   0.083     0.976   90.476   90.476
LGA    E    53_A      E    53_A     0.274     0    0.035   0.802     2.915  100.000   87.090
LGA    T    54_A      T    54_A     0.385     0    0.023   0.058     0.713  100.000   98.639
LGA    Q    55_A      Q    55_A     0.638     0    0.076   0.898     2.003   90.476   83.651
LGA    V    56_A      V    56_A     0.838     0    0.056   1.060     2.958   83.810   79.388
LGA    V    57_A      V    57_A     2.189     0    0.403   1.285     5.037   53.452   55.510
LGA    A    58_A      A    58_A     2.859     0    0.364   0.355     3.972   60.952   57.429
LGA    G    59_A      G    59_A     1.204     0    0.161   0.161     1.270   81.429   81.429
LGA    T    60_A      T    60_A     1.563     0    0.049   0.084     1.681   72.857   74.082
LGA    N    61_A      N    61_A     1.448     0    0.039   0.906     3.419   79.286   70.238
LGA    Y    62_A      Y    62_A     0.666     0    0.045   0.149     1.419   90.476   86.706
LGA    R    63_A      R    63_A     0.421     0    0.022   0.685     1.926  100.000   90.000
LGA    I    64_A      I    64_A     0.528     0    0.023   0.119     1.521   92.857   89.464
LGA    T    65_A      T    65_A     0.463     0    0.031   1.041     2.264   97.619   88.571
LGA    F    66_A      F    66_A     0.658     0    0.051   0.595     2.026   90.476   86.537
LGA    K    67_A      K    67_A     0.565     0    0.059   0.911     4.047   90.476   80.952
LGA    I    68_A      I    68_A     1.205     0    0.050   1.342     4.202   81.548   71.845
LGA    A    69_A      A    69_A     1.335     0    0.049   0.071     1.576   85.952   83.333
LGA    E    70_A      E    70_A     0.481     0    0.023   0.418     1.477   95.238   93.757
LGA    S    71_A      S    71_A     0.530     0    0.042   0.503     2.173   92.857   89.365
LGA    T    72_A      T    72_A     1.056     0    0.046   0.099     1.340   83.690   84.014
LGA    C    73_A      C    73_A     1.075     0    0.027   0.073     1.119   83.690   84.444
LGA    R    74_A      R    74_A     1.611     0    0.042   0.320     3.785   75.000   63.203
LGA    V    75_A      V    75_A     2.016     0    0.712   0.633     4.953   56.548   60.136
LGA    T    76_A      T    76_A     1.467     0    0.052   1.395     4.353   77.143   67.959
LGA    E    77_A      E    77_A     1.695     0    0.096   0.626     2.371   75.000   73.862
LGA    T    78_A      T    78_A     1.523     0    0.053   1.182     3.611   77.143   69.048
LGA    Y    79_A      Y    79_A     0.968     0    0.030   0.079     1.162   88.214   88.968
LGA    S    80_A      S    80_A     0.377     0    0.060   0.531     1.943   97.619   93.889
LGA    K    81_A      K    81_A     0.462     0    0.082   1.046     6.463   95.238   66.561
LGA    E    82_A      E    82_A     1.296     0    0.124   1.066     4.633   81.548   68.254
LGA    T    83_A      T    83_A     1.298     0    0.052   1.240     3.393   79.286   73.333
LGA    C    84_A      C    84_A     0.932     0    0.073   0.084     1.011   90.476   88.968
LGA    L    85_A      L    85_A     1.123     0    0.018   0.276     3.195   85.952   71.726
LGA    P    86_A      P    86_A     0.706     0    0.070   0.119     0.941   90.476   90.476
LGA    K    87_A      K    87_A     1.200     0    0.665   0.732     3.535   71.905   71.799
LGA    T    88_A      T    88_A     1.234     0    0.045   1.175     5.361   62.857   51.293
LGA    R    89_A      R    89_A     5.422     6    0.239   0.234     7.760   26.190   10.433
LGA    D    90_A      D    90_A     4.076     0    0.083   0.978     7.317   48.810   34.643
LGA    V    91_A      V    91_A     4.502     0    0.143   1.147     8.851   44.405   28.367
LGA    K    92_A      K    92_A     1.614     0    0.588   1.251    12.177   77.143   40.635
LGA    S    93_A      S    93_A     0.225     0    0.074   0.226     0.734   92.857   93.651
LGA    T    94_A      T    94_A     0.742     0    0.016   0.090     1.175   90.476   89.184
LGA    C    95_A      C    95_A     0.646     0    0.021   0.112     0.700   90.476   92.063
LGA    T    96_A      T    96_A     0.732     0    0.024   0.076     0.984   90.476   90.476
LGA    A    97_A      A    97_A     0.687     0    0.043   0.065     0.797   90.476   90.476
LGA    V    98_A      V    98_A     0.664     0    0.051   0.084     0.772   90.476   91.837
LGA    I    99_A      I    99_A     0.845     0    0.079   0.573     2.370   90.476   83.869
LGA    T   100_A      T   100_A     0.588     0    0.063   0.985     2.191   90.476   84.286
LGA    E   101_A      E   101_A     0.617     0    0.202   0.740     1.993   88.214   81.640
LGA    P   102_A      P   102_A     2.153     0    0.083   0.119     2.502   68.929   68.435
LGA    L   103_A      L   103_A     3.317     0    0.051   0.193     5.225   51.786   43.155
LGA    N   104_A      N   104_A     2.999     0    0.555   1.125     6.296   38.929   48.333
LGA    N   105_A      N   105_A     5.727     0    0.362   0.549    11.300   36.548   18.869
LGA    E   106_A      E   106_A     2.551     0    0.048   0.728     8.757   48.690   30.899
LGA    R   107_A      R   107_A     1.313     0    0.112   1.131     4.029   85.952   75.281
LGA    F   108_A      F   108_A     0.806     0    0.060   1.158     5.067   90.476   68.961
LGA    V   109_A      V   109_A     0.732     0    0.025   0.101     0.810   90.476   90.476
LGA    H   110_A      H   110_A     0.837     0    0.031   1.145     4.649   90.476   73.095
LGA    S   111_A      S   111_A     0.610     0    0.030   0.069     0.692   90.476   90.476
LGA    F   112_A      F   112_A     0.556     0    0.030   0.273     1.081   90.476   88.831
LGA    T   113_A      T   113_A     0.793     0    0.069   1.047     2.443   90.476   83.129
LGA    C   114_A      C   114_A     0.577     0    0.034   0.688     1.689   88.214   86.032
LGA    G   115_A      G   115_A     1.120     0    0.718   0.718     3.175   75.833   75.833

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      103     412    412  100.00     817    817  100.00               103
SUMMARY(RMSD_GDC):     1.882          1.899                  2.519           79.718   73.991

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0     98    1.47    84.709    91.914     6.232

LGA_LOCAL      RMSD:   1.473  Number of atoms:   98  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.888  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.882  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.637136 * X  +  -0.659735 * Y  +  -0.398507 * Z  + -11.357934
  Y_new =   0.541044 * X  +  -0.751067 * Y  +   0.378378 * Z  +  29.626945
  Z_new =  -0.548935 * X  +   0.025468 * Y  +   0.835477 * Z  +  -3.075098 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.437574  0.581089  0.030474   [DEG:  139.6627   33.2940    1.7460 ]
ZXZ: -2.330290  0.581796 -1.524434   [DEG: -133.5158   33.3345  -87.3436 ]
 
# END of job
